CONTACTS & NON-COVALENT INTERACTIONS IN 1VAO.
TO TARGET Chain A excluding its 58 ligand+ & non-standard residue atoms.
Chain A-associated water.
REPORTED BY FirstGlance in Jmol.
16 residues in this model have atoms missing in their sidechains (Sidechains, incomplete; marked S-).
Contacts (if any) involving these atoms are absent from the list below.
This tab-delimited list is spreadsheet-ready for sorting and averaging (see procedure at bottom below).
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Count = Number of the target atom interacting with another atom, including target atoms with alternate locations.
Group = Residue code.
SeqNo = Sequence Number.
Ins = Insertion Code for sequence number (usually blank).
Atom: See Identifying Atoms.
AltLoc = Alternate Location ID (usually blank). See Conformations in FirstGlance.
ConSrf = ConSurf amino acid conservation level. 1 = most variable. 9 = most conserved. 0 = insufficient data. Blank = not processed by ConSurf.
DIST = Distance in Ĺ between the interacting target and contacting atoms.
BOND = Probable type of interaction or bond.
Cov.: covalent, when DIST ≤ 1.9 Ĺ.
Hbond may be a salt bridge when involving non-standard amino acids, nucleotides, or ligands+.
CatPi: CAUTION: Detection of cation-pi interactions is approximate.
MetMisc: Metal and Miscellaneous. See Definitions.
DpClash: Deep Clash, DIST ≤ 0.5 Ĺ between atoms. Atoms occupying the same space. When you target chain A, including ligands+,
in 1hho, this happens for PO4 due to symmetry operations constructing biological unit 1. Find.. PO4 finds 10 atoms, not 5.
CAUTION: Steric Clash Errors in the model may be reported as covalent or non-covalent bonds.
Also, clashes between alternate locations may be listed under "Cov.". See Conformations in FirstGlance.
CAUTION: Salt bridges and cation-pi interactions are listed only for standard amino acids.
FirstGlance cannot detect such interactions involving ligands+, non-standard amino acids, or nucleotides.
PLEASE NOTE the EXCLUSIONS below. §
TARGET ATOMS CONTACTING ATOMS
⤋⤋⤋――――――――――――――――――――――――――――――――――――――――――――――――――――――――― ――――――――――――――――――――――――――――――――――――――――――――――――――――――
Count Group1 SeqNo1 Ins1 Chain1 Atom1 AltLoc1 ConSrf1 DIST BOND Group2 SeqNo2 Ins2 Chain2 Atom2 AltLoc2 ConSrf2 NOTES
1 HIS 422 A NE2 9 1.5 Cov. FAD 600 A C8M
2 SER 101 A N 9 2.7 Hbond FAD 600 A O2A
3 SER 101 A N 9 3.3 Hbond FAD 600 A N7A
4 SER 101 A OG 9 2.8 Hbond FAD 600 A N7A
5 ILE 102 A N 7 3.0 Hbond FAD 600 A O2A
6 GLY 103 A N 9 2.8 Hbond FAD 600 A O1A
7 GLY 103 A N 9 2.9 Hbond FAD 600 A O2A
8 GLY 103 A N 9 3.2 Hbond FAD 600 A O2P
9 ARG 104 A N 8 3.0 Hbond FAD 600 A O1A
10 ARG 104 A N 8 2.5 Hbond FAD 600 A O2P
11 ARG 104 A O 8 3.2 Hbond FAD 600 A O2'
12 ARG 104 A O 8 3.0 Hbond FAD 600 A O5'
13 ASN 105 A N 9 3.1 Hbond FAD 600 A O1A
14 ASN 105 A N 9 3.0 Hbond FAD 600 A O5'
15 TYR 108 A OH 9 2.9 Hbond ACT 601 A O
16 GLU 136 A O 4 3.1 Hbond ARG 297 B NE 7 Between chains.
17 GLU 136 A OE2 4 3.1 Hbond LYS 430 B NZ 7 Between chains.
18 GLY 137 A O 4 3.0 Hbond ARG 463 B NE 9 Between chains.
19 ALA 138 A O 5 3.0 Hbond ARG 463 B NE 9 Between chains.
20 ALA 138 A O 5 2.7 Hbond ARG 463 B NH2 9 Between chains.
21 ASP 170 A N 8 3.1 Hbond FAD 600 A O4
22 ASP 170 A OD2 8 3.4 Hbond FAD 600 A O4
23 ASP 170 A OD2 8 3.4 Hbond FAD 600 A N5
24 SER 175 A N 9 3.2 Hbond FAD 600 A O1P
25 ASN 179 A ND2 9 3.1 Hbond FAD 600 A O2
26 ASN 179 A ND2 9 3.3 Hbond FAD 600 A O3'
27 ASN 179 A ND2 9 2.9 Hbond FAD 600 A O4'
28 ARG 183 A NH1 8 2.9 Hbond GLY 247 B O 9 Between chains.
29 ARG 183 A NH2 8 2.8 Hbond GLY 247 B O 9 Between chains.
30 VAL 185 A N 6 3.1 Hbond FAD 600 A O2
31 VAL 185 A O 6 3.0 Hbond FAD 600 A N3
32 TYR 187 A OH 8 2.4 Hbond FAD 600 A O4
33 TYR 190 A OH 6 3.3 Hbond ARG 463 B NH1 9 Between chains.
34 TYR 190 A OH 6 3.3 Hbond ARG 463 B NH2 9 Between chains.
35 ASP 192 A OD1 8 3.0 Hbond TYR 244 B OH 5 Between chains.
36 ASP 192 A OD2 8 3.4 Hbond TYR 244 B OH 5 Between chains.
37 GLU 208 A OE2 5 2.8 Hbond SER 554 A3 OG 6 Between chains.
38 LEU 209 A O 5 3.2 Hbond ASN 520 B OD1 8 Between chains.
39 LEU 209 A O 5 2.5 Hbond SER 523 B OG 8 Between chains.
40 ALA 216 A O 8 3.2 Hbond TYR 517 B O 7 Between chains.
41 ALA 216 A O 8 3.2 Hbond ASN 518 B N 5 Between chains.
42 ALA 216 A O 8 2.7 Hbond TRP 519 B N 4 Between chains.
43 LYS 221 A NZ 1 3.3 Hbond GLN 485 A3 O 1 Between chains.
44 LYS 221 A NZ 1 2.3 Hbond TRP 486 A3 O 1 Between chains.
45 LYS 221 A NZ 1 3.4 Hbond ARG 489 A3 N 3 Between chains.
46 LYS 221 A NZ 1 2.9 Hbond THR 490 A3 N 3 Between chains.
47 LYS 221 A NZ 1 3.0 Hbond THR 490 A3 OG1 3 Between chains.
48 GLY 227 A N 2 3.2 Hbond GLN 485 A3 NE2 1 Between chains.
49 GLN 233 A OE1 7 3.2 Hbond TRP 519 B NE1 4 Between chains.
50 SER 236 A OG 7 3.2 Hbond GLY 499 B O 9 Between chains.
51 LYS 237 A NZ 4 2.9 Hbond ASP 435 B OD1 5 Between chains.
52 LYS 237 A NZ 4 2.8 Hbond ASN 498 B O 1 Between chains.
53 LYS 237 A NZ 4 3.3 Hbond TRP 500 B NE1 8 Between chains.
54 TYR 244 A OH 5 3.0 Hbond ASP 192 B OD1 8 Between chains.
55 TYR 244 A OH 5 3.4 Hbond ASP 192 B OD2 8 Between chains.
56 GLY 247 A N 9 3.4 Hbond GLN 256 B OE1 9 Between chains.
57 GLY 247 A O 9 2.8 Hbond ARG 183 B NH1 8 Between chains.
58 GLY 247 A O 9 2.8 Hbond ARG 183 B NH2 8 Between chains.
59 GLY 247 A O 9 3.3 Hbond SER 255 B O 6 Between chains.
60 PRO 248 A N 9 2.8 Hbond GLN 256 B O 9 Between chains.
61 TYR 249 A N 4 3.2 Hbond GLY 252 B O 7 Between chains.
62 GLY 252 A O 7 3.3 Hbond TYR 249 B N 4 Between chains.
63 SER 255 A O 6 3.4 Hbond GLY 247 B O 9 Between chains.
64 GLN 256 A O 9 3.0 Hbond PRO 248 B N 9 Between chains.
65 VAL 262 A N 9 2.9 Hbond FAD 600 A N1A
66 VAL 262 A O 9 3.0 Hbond FAD 600 A N6A
67 LEU 269 A O 9 2.6 Hbond ARG 463 B NH2 9 Between chains.
68 ARG 297 A NE 7 3.2 Hbond GLU 136 B O 4 Between chains.
69 LYS 430 A NZ 7 3.2 Hbond GLU 136 B OE2 4 Between chains.
70 ASP 435 A OD1 5 3.0 Hbond LYS 237 B NZ 4 Between chains.
71 ARG 463 A NE 9 2.9 Hbond GLY 137 B O 4 Between chains.
72 ARG 463 A NE 9 3.2 Hbond ALA 138 B O 5 Between chains.
73 ARG 463 A NH1 9 3.4 Hbond TYR 190 B OH 6 Between chains.
74 ARG 463 A NH2 9 2.7 Hbond ALA 138 B O 5 Between chains.
75 ARG 463 A NH2 9 3.3 Hbond TYR 190 B OH 6 Between chains.
76 ARG 463 A NH2 9 2.7 Hbond LEU 269 B O 9 Between chains.
77 GLN 485 A O 1 3.3 Hbond LYS 221 A2 NZ 1 Between chains.
78 GLN 485 A NE2 1 3.2 Hbond GLY 227 A2 N 2 Between chains.
79 TRP 486 A O 1 2.3 Hbond LYS 221 A2 NZ 1 Between chains.
80 ARG 489 A N 3 3.4 Hbond LYS 221 A2 NZ 1 Between chains.
81 THR 490 A N 3 2.9 Hbond LYS 221 A2 NZ 1 Between chains.
82 THR 490 A OG1 3 3.0 Hbond LYS 221 A2 NZ 1 Between chains.
83 ASN 498 A O 1 2.9 Hbond LYS 237 B NZ 4 Between chains.
84 GLY 499 A O 9 3.4 Hbond SER 236 B OG 7 Between chains.
85 TYR 503 A OH 9 2.5 Hbond ACT 601 A O
86 TYR 503 A OH 9 3.4 Hbond ACT 601 A OXT
87 ARG 504 A NH1 9 3.0 Hbond FAD 600 A O3'
88 ARG 504 A NH2 9 3.4 Hbond FAD 600 A N1
89 ARG 504 A NH2 9 2.7 Hbond FAD 600 A O2
90 ARG 504 A NH2 9 3.1 Hbond FAD 600 A O3'
91 TYR 517 A O 7 3.3 Hbond ALA 216 B O 8 Between chains.
92 ASN 518 A N 5 3.3 Hbond ALA 216 B O 8 Between chains.
93 TRP 519 A N 4 2.6 Hbond ALA 216 B O 8 Between chains.
94 TRP 519 A NE1 4 3.2 Hbond GLN 233 B OE1 7 Between chains.
95 ASN 520 A OD1 8 3.3 Hbond LEU 209 B O 5 Between chains.
96 ASN 521 A ND2 4 3.1 Hbond VAL 556 B2 O 1 Between chains.
97 SER 523 A OG 8 2.6 Hbond LEU 209 B O 5 Between chains.
98 LYS 545 A NZ 9 3.4 Hbond FAD 600 A O2B
99 SER 554 A OG 6 2.8 Hbond GLU 208 A2 OE2 5 Between chains.
100 HIS 555 A O 3 3.4 Hbond ASN 521 B2 ND2 4 Between chains.
101 VAL 556 A O 1 3.1 Hbond ASN 521 B2 ND2 4 Between chains.
102 LYS 559 A O 5 3.5 Hbond ASN 521 B2 ND2 4 Between chains.
103 HOH 608 A O 3.4 Hbond ARG 463 B N 9 Between chains.
104 HOH 608 A O 3.2 Hbond HOH 725 B O Between chains.
105 HOH 608 A O 2.3 Hbond HOH 736 B O Between chains.
106 HOH 623 A O 2.7 Hbond FAD 600 A O3B
107 HOH 623 A O 2.7 Hbond FAD 600 A O2B
108 HOH 637 A O 3.0 Hbond FAD 600 A O4
109 HOH 637 A O 3.3 Hbond FAD 600 A N5
110 HOH 641 A O 3.2 Hbond ASN 520 B OD1 8 Between chains.
111 HOH 643 A O 3.1 Hbond FAD 600 A O4B
112 HOH 647 A O 2.7 Hbond ASN 521 B2 OD1 4 Between chains.
113 HOH 647 A O 3.5 Hbond ASN 521 B2 ND2 4 Between chains.
114 HOH 674 A O 2.4 Hbond FAD 600 A O1A
115 HOH 674 A O 2.8 Hbond FAD 600 A O5B
116 HOH 674 A O 3.2 Hbond FAD 600 A O3B
117 HOH 682 A O 3.2 Hbond FAD 600 A N3A
118 HOH 685 A O 3.2 Hbond ALA 496 B O 7 Between chains.
119 HOH 686 A O 3.1 Hbond GLU 208 B OE1 5 Between chains.
120 HOH 686 A O 2.9 Hbond HOH 635 B O Between chains.
121 HOH 689 A O 2.9 Hbond GLY 499 B O 9 Between chains.
122 HOH 689 A O 2.6 Hbond HOH 623 B O Between chains.
123 HOH 716 A O 2.3 Hbond FAD 600 A O2B
124 HOH 724 A O 3.4 Hbond TRP 519 B O 4 Between chains.
125 HOH 724 A O 2.9 Hbond HOH 627 B O Between chains.
126 HOH 748 A O 3.4 Hbond GLN 84 B NE2 9 Between chains.
127 HOH 748 A O 2.9 Hbond LEU 209 B N 5 Between chains.
128 LEU 18 A CD2 1 2.9 Apolar ARG 30 A2 CZ 1 Between chains.
129 ARG 30 A CZ 1 2.9 Apolar LEU 18 A3 CD2 1 Between chains.
130 ARG 104 A C 8 3.9 Apolar FAD 600 A C5'
131 ASN 105 A CA 9 3.8 Apolar FAD 600 A C5'
132 ASN 105 A CG 9 3.9 Apolar FAD 600 A C5'
133 ALA 138 A CB 5 3.6 Apolar LEU 301 B CD2 4 Between chains.
134 ALA 138 A CB 5 3.9 Apolar ARG 463 B CZ 9 Between chains.
135 PRO 169 A CB 8 3.6 Apolar FAD 600 A C4
136 VAL 181 A CG2 5 3.9 Apolar FAD 600 A C4A
137 GLU 182 A CG 8 3.8 Apolar FAD 600 A C4B
138 GLU 182 A CD 8 3.9 Apolar FAD 600 A C4B
139 ARG 183 A CD 8 3.9 Apolar TYR 244 B CG 5 Between chains.
140 ARG 183 A CD 8 3.7 Apolar TYR 244 B CD2 5 Between chains.
141 ARG 183 A CD 8 3.8 Apolar TYR 244 B CE2 5 Between chains.
142 TRP 194 A CD1 4 3.9 Apolar TYR 244 B CZ 5 Between chains.
143 MET 195 A CG 5 4.0 Apolar TYR 244 B CZ 5 Between chains.
144 MET 195 A SD 5 3.8 Apolar MET 195 B CE 5 Between chains.
145 MET 195 A CE 5 3.8 Apolar MET 195 B SD 5 Between chains.
146 MET 195 A CE 5 3.0 Apolar MET 195 B CE 5 Between chains.
147 LEU 204 A CD1 9 3.6 Apolar PHE 527 B CD1 5 Between chains.
148 LEU 204 A CD2 9 3.7 Apolar PHE 527 B CD1 5 Between chains.
149 LEU 204 A CD2 9 3.6 Apolar PHE 527 B CE1 5 Between chains.
150 GLU 208 A CB 5 3.8 Apolar VAL 556 A3 CG1 1 Between chains.
151 GLU 208 A CG 5 3.9 Apolar VAL 556 A3 CG1 1 Between chains.
152 GLU 208 A CD 5 3.7 Apolar VAL 556 A3 CB 1 Between chains.
153 GLU 208 A CD 5 4.0 Apolar VAL 556 A3 CG1 1 Between chains.
154 LEU 209 A C 5 3.8 Apolar TRP 519 B CZ3 4 Between chains.
155 LEU 209 A CB 5 4.0 Apolar TRP 519 B CZ3 4 Between chains.
156 LEU 209 A CB 5 3.8 Apolar TRP 519 B CH2 4 Between chains.
157 LEU 210 A CA 4 3.9 Apolar TRP 519 B CZ3 4 Between chains.
158 LEU 210 A C 4 3.7 Apolar TRP 519 B CZ3 4 Between chains.
159 LEU 210 A CD1 4 3.5 Apolar PHE 527 B CB 5 Between chains.
160 LEU 210 A CD1 4 3.9 Apolar PHE 527 B CG 5 Between chains.
161 ARG 211 A CB 9 3.7 Apolar TRP 519 B CE3 4 Between chains.
162 ARG 211 A CB 9 3.9 Apolar TRP 519 B CZ3 4 Between chains.
163 ARG 211 A CG 9 3.8 Apolar TRP 519 B CD2 4 Between chains.
164 ARG 211 A CG 9 4.0 Apolar TRP 519 B CE2 4 Between chains.
165 ARG 211 A CG 9 3.3 Apolar TRP 519 B CE3 4 Between chains.
166 ARG 211 A CG 9 3.7 Apolar TRP 519 B CZ2 4 Between chains.
167 ARG 211 A CG 9 2.9 Apolar TRP 519 B CZ3 4 Between chains.
168 ARG 211 A CG 9 3.2 Apolar TRP 519 B CH2 4 Between chains.
169 ARG 211 A CD 9 3.8 Apolar TRP 519 B CE2 4 Between chains.
170 ARG 211 A CD 9 3.3 Apolar TRP 519 B CZ2 4 Between chains.
171 ARG 211 A CD 9 3.6 Apolar TRP 519 B CZ3 4 Between chains.
172 ARG 211 A CD 9 3.2 Apolar TRP 519 B CH2 4 Between chains.
173 ARG 211 A CZ 9 3.8 Apolar TRP 519 B CE2 4 Between chains.
174 ARG 211 A CZ 9 3.6 Apolar TRP 519 B CZ2 4 Between chains.
175 MET 214 A SD 9 3.4 Apolar TYR 517 B CE2 7 Between chains.
176 MET 214 A SD 9 3.8 Apolar TYR 517 B CZ 7 Between chains.
177 MET 214 A CE 9 4.0 Apolar ILE 428 B CG1 7 Between chains.
178 MET 214 A CE 9 4.0 Apolar TYR 517 B CZ 7 Between chains.
179 ALA 216 A CA 8 4.0 Apolar TRP 519 B CB 4 Between chains.
180 ALA 216 A C 8 3.8 Apolar TYR 517 B CA 7 Between chains.
181 ALA 216 A C 8 3.7 Apolar TYR 517 B C 7 Between chains.
182 ALA 216 A C 8 3.8 Apolar TRP 519 B CB 4 Between chains.
183 ALA 216 A CB 8 3.9 Apolar TYR 517 B CB 7 Between chains.
184 ALA 216 A CB 8 3.8 Apolar PHE 524 B CB 5 Between chains.
185 LEU 217 A CB 5 3.8 Apolar TYR 517 B CD2 7 Between chains.
186 LEU 217 A CB 5 3.9 Apolar TYR 517 B CE2 7 Between chains.
187 LEU 217 A CD1 5 4.0 Apolar GLY 499 B C 9 Between chains.
188 LEU 217 A CD2 5 3.9 Apolar GLY 501 B CA 6 Between chains.
189 LEU 217 A CD2 5 3.0 Apolar THR 516 B CG2 7 Between chains.
190 PRO 220 A CG 6 3.7 Apolar ALA 497 B C 3 Between chains.
191 PRO 220 A CG 6 3.9 Apolar ASN 498 B C 1 Between chains.
192 PRO 220 A CG 6 3.5 Apolar GLY 499 B CA 9 Between chains.
193 PRO 220 A CD 6 3.6 Apolar GLY 499 B CA 9 Between chains.
194 LYS 221 A CG 1 3.5 Apolar TRP 486 A3 CD1 1 Between chains.
195 LYS 221 A CD 1 3.7 Apolar TRP 486 A3 CD1 1 Between chains.
196 LYS 221 A CE 1 3.1 Apolar TRP 486 A3 CA 1 Between chains.
197 LYS 221 A CE 1 3.5 Apolar TRP 486 A3 C 1 Between chains.
198 LYS 221 A CE 1 3.6 Apolar TRP 486 A3 CB 1 Between chains.
199 LYS 221 A CE 1 3.5 Apolar TRP 486 A3 CG 1 Between chains.
200 LYS 221 A CE 1 3.2 Apolar TRP 486 A3 CD1 1 Between chains.
201 LYS 221 A CE 1 3.7 Apolar ARG 489 A3 CB 3 Between chains.
202 ARG 222 A CA 2 3.6 Apolar TRP 486 A3 CD1 1 Between chains.
203 ARG 222 A C 2 4.0 Apolar TRP 486 A3 CD1 1 Between chains.
204 PRO 223 A CA 4 3.9 Apolar TRP 486 A3 CB 1 Between chains.
205 PRO 223 A CG 4 3.9 Apolar TRP 486 A3 CG 1 Between chains.
206 PRO 223 A CD 4 3.9 Apolar TRP 486 A3 CG 1 Between chains.
207 PRO 223 A CD 4 3.7 Apolar TRP 486 A3 CD1 1 Between chains.
208 MET 226 A CB 1 3.9 Apolar GLN 485 A3 CB 1 Between chains.
209 MET 226 A CG 1 4.0 Apolar TRP 486 A3 CA 1 Between chains.
210 MET 226 A CG 1 3.8 Apolar TRP 486 A3 CB 1 Between chains.
211 MET 226 A SD 1 3.8 Apolar TRP 486 A3 CA 1 Between chains.
212 MET 226 A SD 1 3.8 Apolar TRP 486 A3 CB 1 Between chains.
213 MET 226 A CE 1 3.6 Apolar GLN 485 A3 C 1 Between chains.
214 MET 226 A CE 1 3.7 Apolar GLN 485 A3 CB 1 Between chains.
215 MET 226 A CE 1 3.9 Apolar TRP 486 A3 CA 1 Between chains.
216 MET 226 A CE 1 3.8 Apolar ARG 489 A3 CD 3 Between chains.
217 PRO 230 A C 4 3.6 Apolar TRP 519 B CZ2 4 Between chains.
218 PRO 230 A CB 4 3.6 Apolar TRP 519 B CZ2 4 Between chains.
219 LYS 237 A CD 4 3.9 Apolar ASP 435 B CG 5 Between chains.
220 LYS 237 A CD 4 3.5 Apolar TRP 500 B CD1 8 Between chains.
221 ILE 238 A CD1 5 3.9 Apolar LYS 430 B CG 7 Between chains.
222 LEU 241 A CD1 5 3.6 Apolar LYS 430 B CG 7 Between chains.
223 PHE 242 A CB 6 3.7 Apolar GLU 464 B CG 7 Between chains.
224 PHE 242 A CG 6 3.9 Apolar GLU 464 B CG 7 Between chains.
225 PHE 242 A CD1 6 3.7 Apolar GLU 464 B CG 7 Between chains.
226 PHE 242 A CD1 6 3.9 Apolar GLU 464 B CD 7 Between chains.
227 PHE 242 A CE1 6 3.6 Apolar HIS 466 B CE1 7 Between chains.
228 PHE 242 A CE2 6 3.9 Apolar TYR 503 B CB 9 Between chains.
229 PHE 242 A CZ 6 3.9 Apolar HIS 466 B CE1 7 Between chains.
230 TYR 244 A CG 5 3.8 Apolar ARG 183 B CD 8 Between chains.
231 TYR 244 A CD2 5 3.6 Apolar ARG 183 B CD 8 Between chains.
232 TYR 244 A CE2 5 3.8 Apolar ARG 183 B CD 8 Between chains.
233 TYR 244 A CZ 5 3.8 Apolar TRP 194 B CD1 4 Between chains.
234 TYR 244 A CZ 5 3.9 Apolar MET 195 B CG 5 Between chains.
235 PHE 246 A CB 6 3.8 Apolar TYR 517 B CD1 7 Between chains.
236 PHE 246 A CB 6 3.2 Apolar TYR 517 B CE1 7 Between chains.
237 PHE 246 A CB 6 3.3 Apolar TYR 517 B CZ 7 Between chains.
238 PHE 246 A CG 6 3.9 Apolar TYR 517 B CE1 7 Between chains.
239 PHE 246 A CD1 6 4.0 Apolar TYR 503 B C 9 Between chains.
240 GLY 247 A CA 9 3.9 Apolar GLN 256 B CB 9 Between chains.
241 GLY 247 A CA 9 4.0 Apolar SER 546 B CB 8 Between chains.
242 GLY 247 A C 9 3.8 Apolar GLN 256 B CB 9 Between chains.
243 PRO 248 A CG 9 3.8 Apolar SER 257 B CA 9 Between chains.
244 PRO 248 A CG 9 3.5 Apolar SER 257 B CB 9 Between chains.
245 TYR 249 A C 4 4.0 Apolar GLY 252 B C 7 Between chains.
246 ILE 250 A CD1 5 3.8 Apolar PHE 524 B CE1 5 Between chains.
247 ILE 250 A CD1 5 3.6 Apolar PHE 527 B CD2 5 Between chains.
248 ILE 250 A CD1 5 3.7 Apolar PHE 527 B CE2 5 Between chains.
249 LEU 253 A CG 7 3.7 Apolar LEU 253 B CD2 7 Between chains.
250 LEU 253 A CD1 7 3.9 Apolar LEU 253 B CD2 7 Between chains.
251 LEU 253 A CD1 7 3.6 Apolar PHE 527 B CE2 5 Between chains.
252 LEU 253 A CD1 7 3.7 Apolar PHE 527 B CZ 5 Between chains.
253 LEU 253 A CD1 7 3.4 Apolar LEU 531 B CD1 6 Between chains.
254 LEU 253 A CD2 7 3.7 Apolar LEU 253 B CG 7 Between chains.
255 LEU 253 A CD2 7 3.9 Apolar LEU 253 B CD1 7 Between chains.
256 LEU 253 A CD2 7 3.0 Apolar LEU 253 B CD2 7 Between chains.
257 PHE 254 A CZ 9 3.8 Apolar PHE 527 B CZ 5 Between chains.
258 GLN 256 A CB 9 3.9 Apolar GLY 247 B C 9 Between chains.
259 SER 257 A CA 9 3.9 Apolar PRO 248 B CG 9 Between chains.
260 SER 257 A CB 9 3.6 Apolar PRO 248 B CG 9 Between chains.
261 TRP 268 A CB 7 3.9 Apolar ARG 463 B CZ 9 Between chains.
262 TRP 268 A CG 7 3.8 Apolar ARG 463 B CZ 9 Between chains.
263 TRP 268 A CD1 7 3.7 Apolar ARG 463 B CD 9 Between chains.
264 TRP 268 A CE2 7 3.9 Apolar ARG 463 B CD 9 Between chains.
265 PRO 271 A CG 8 3.8 Apolar LEU 301 B CB 4 Between chains.
266 LEU 301 A CB 4 4.0 Apolar PRO 271 B CG 8 Between chains.
267 LEU 301 A CD2 4 3.7 Apolar ALA 138 B CB 5 Between chains.
268 ILE 363 A CD1 5 3.9 Apolar VAL 366 B CB 4 Between chains.
269 ILE 363 A CD1 5 3.8 Apolar VAL 366 B CG1 4 Between chains.
270 ILE 363 A CD1 5 3.7 Apolar LEU 367 B CD2 4 Between chains.
271 VAL 366 A CB 4 3.9 Apolar ILE 363 B CD1 5 Between chains.
272 VAL 366 A CG1 4 3.8 Apolar ILE 363 B CD1 5 Between chains.
273 LEU 367 A CD2 4 3.8 Apolar ILE 363 B CD1 5 Between chains.
274 TRP 413 A CE2 5 3.6 Apolar FAD 600 A C7M
275 TRP 413 A CZ2 5 3.4 Apolar FAD 600 A C7M
276 ILE 414 A CG1 4 3.8 Apolar FAD 600 A C7M
277 ILE 414 A CD1 4 3.3 Apolar FAD 600 A C7M
278 ILE 414 A CD1 4 3.7 Apolar FAD 600 A C8M
279 HIS 422 A CG 9 3.5 Apolar FAD 600 A C8M
280 HIS 422 A CD2 9 3.9 Apolar FAD 600 A C7
281 HIS 422 A CD2 9 3.9 Apolar FAD 600 A C7M
282 HIS 422 A CD2 9 3.2 Apolar FAD 600 A C8
283 HIS 422 A CD2 9 2.5 Apolar FAD 600 A C8M
284 HIS 422 A CE1 9 3.6 Apolar FAD 600 A C8
285 HIS 422 A CE1 9 2.3 Apolar FAD 600 A C8M
286 PHE 424 A CD1 4 4.0 Apolar ACT 601 A CH3
287 PHE 424 A CE1 4 3.9 Apolar ACT 601 A CH3
288 PHE 424 A CE2 4 3.9 Apolar ACT 601 A CH3
289 PHE 424 A CE2 4 3.8 Apolar FAD 600 A C8
290 PHE 424 A CE2 4 3.4 Apolar FAD 600 A C9
291 PHE 424 A CE2 4 4.0 Apolar FAD 600 A C9A
292 PHE 424 A CZ 4 3.8 Apolar ACT 601 A CH3
293 PHE 424 A CZ 4 3.8 Apolar FAD 600 A C7
294 PHE 424 A CZ 4 3.4 Apolar FAD 600 A C8
295 PHE 424 A CZ 4 3.9 Apolar FAD 600 A C8M
296 PHE 424 A CZ 4 3.3 Apolar FAD 600 A C9
297 PHE 424 A CZ 4 3.7 Apolar FAD 600 A C9A
298 LYS 430 A CG 7 3.9 Apolar ILE 238 B CD1 5 Between chains.
299 LYS 430 A CG 7 3.7 Apolar LEU 241 B CD1 5 Between chains.
300 ARG 463 A CD 9 3.8 Apolar TRP 268 B CD1 7 Between chains.
301 ARG 463 A CD 9 3.9 Apolar TRP 268 B CE2 7 Between chains.
302 ARG 463 A CZ 9 3.9 Apolar ALA 138 B CB 5 Between chains.
303 ARG 463 A CZ 9 4.0 Apolar TRP 268 B CB 7 Between chains.
304 ARG 463 A CZ 9 3.9 Apolar TRP 268 B CG 7 Between chains.
305 GLU 464 A CG 7 3.8 Apolar PHE 242 B CB 6 Between chains.
306 GLU 464 A CG 7 4.0 Apolar PHE 242 B CG 6 Between chains.
307 GLU 464 A CG 7 3.7 Apolar PHE 242 B CD1 6 Between chains.
308 GLU 464 A CD 7 3.9 Apolar PHE 242 B CD1 6 Between chains.
309 HIS 466 A CE1 7 3.7 Apolar PHE 242 B CE1 6 Between chains.
310 HIS 466 A CE1 7 4.0 Apolar PHE 242 B CZ 6 Between chains.
311 ILE 468 A CD1 7 3.6 Apolar ACT 601 A C
312 GLN 485 A C 1 3.6 Apolar MET 226 A2 CE 1 Between chains.
313 GLN 485 A CB 1 3.9 Apolar MET 226 A2 CB 1 Between chains.
314 GLN 485 A CB 1 3.7 Apolar MET 226 A2 CE 1 Between chains.
315 TRP 486 A CA 1 3.1 Apolar LYS 221 A2 CE 1 Between chains.
316 TRP 486 A CA 1 4.0 Apolar MET 226 A2 CG 1 Between chains.
317 TRP 486 A CA 1 3.8 Apolar MET 226 A2 SD 1 Between chains.
318 TRP 486 A CA 1 3.9 Apolar MET 226 A2 CE 1 Between chains.
319 TRP 486 A C 1 3.5 Apolar LYS 221 A2 CE 1 Between chains.
320 TRP 486 A CB 1 3.6 Apolar LYS 221 A2 CE 1 Between chains.
321 TRP 486 A CB 1 3.9 Apolar PRO 223 A2 CA 4 Between chains.
322 TRP 486 A CB 1 3.8 Apolar MET 226 A2 CG 1 Between chains.
323 TRP 486 A CB 1 3.8 Apolar MET 226 A2 SD 1 Between chains.
324 TRP 486 A CG 1 3.5 Apolar LYS 221 A2 CE 1 Between chains.
325 TRP 486 A CG 1 3.9 Apolar PRO 223 A2 CG 4 Between chains.
326 TRP 486 A CG 1 3.9 Apolar PRO 223 A2 CD 4 Between chains.
327 TRP 486 A CD1 1 3.5 Apolar LYS 221 A2 CG 1 Between chains.
328 TRP 486 A CD1 1 3.7 Apolar LYS 221 A2 CD 1 Between chains.
329 TRP 486 A CD1 1 3.2 Apolar LYS 221 A2 CE 1 Between chains.
330 TRP 486 A CD1 1 3.6 Apolar ARG 222 A2 CA 2 Between chains.
331 TRP 486 A CD1 1 4.0 Apolar ARG 222 A2 C 2 Between chains.
332 TRP 486 A CD1 1 3.7 Apolar PRO 223 A2 CD 4 Between chains.
333 ARG 489 A CB 3 3.7 Apolar LYS 221 A2 CE 1 Between chains.
334 ARG 489 A CD 3 3.8 Apolar MET 226 A2 CE 1 Between chains.
335 GLY 499 A CA 9 3.6 Apolar PRO 220 B CG 6 Between chains.
336 GLY 499 A CA 9 3.8 Apolar PRO 220 B CD 6 Between chains.
337 TRP 500 A CD1 8 3.8 Apolar LYS 237 B CD 4 Between chains.
338 TYR 503 A CB 9 4.0 Apolar PHE 242 B CE2 6 Between chains.
339 ILE 513 A CG2 7 4.0 Apolar PHE 246 B CG 6 Between chains.
340 ILE 513 A CG2 7 3.9 Apolar PHE 246 B CD1 6 Between chains.
341 ILE 513 A CG2 7 3.9 Apolar PHE 246 B CE1 6 Between chains.
342 ILE 513 A CG2 7 4.0 Apolar PHE 246 B CZ 6 Between chains.
343 MET 514 A CE 8 4.0 Apolar PHE 246 B CD2 6 Between chains.
344 MET 514 A CE 8 3.9 Apolar PHE 246 B CE2 6 Between chains.
345 THR 516 A CG2 7 3.2 Apolar LEU 217 B CD2 5 Between chains.
346 TYR 517 A CA 7 4.0 Apolar ALA 216 B C 8 Between chains.
347 TYR 517 A C 7 3.8 Apolar ALA 216 B C 8 Between chains.
348 TYR 517 A CD1 7 3.6 Apolar PHE 246 B CB 6 Between chains.
349 TYR 517 A CD2 7 4.0 Apolar LEU 217 B CB 5 Between chains.
350 TYR 517 A CE1 7 3.0 Apolar PHE 246 B CB 6 Between chains.
351 TYR 517 A CE1 7 3.7 Apolar PHE 246 B CG 6 Between chains.
352 TYR 517 A CE2 7 3.5 Apolar MET 214 B SD 9 Between chains.
353 TYR 517 A CE2 7 3.9 Apolar PHE 246 B CB 6 Between chains.
354 TYR 517 A CZ 7 3.9 Apolar MET 214 B SD 9 Between chains.
355 TYR 517 A CZ 7 4.0 Apolar MET 214 B CE 9 Between chains.
356 TYR 517 A CZ 7 3.2 Apolar PHE 246 B CB 6 Between chains.
357 TRP 519 A CB 4 3.9 Apolar ALA 216 B CA 8 Between chains.
358 TRP 519 A CB 4 3.7 Apolar ALA 216 B C 8 Between chains.
359 TRP 519 A CD2 4 4.0 Apolar ARG 211 B CG 9 Between chains.
360 TRP 519 A CE2 4 3.9 Apolar ARG 211 B CD 9 Between chains.
361 TRP 519 A CE2 4 4.0 Apolar ARG 211 B CZ 9 Between chains.
362 TRP 519 A CE3 4 3.8 Apolar ARG 211 B CB 9 Between chains.
363 TRP 519 A CE3 4 3.4 Apolar ARG 211 B CG 9 Between chains.
364 TRP 519 A CZ2 4 3.8 Apolar ARG 211 B CG 9 Between chains.
365 TRP 519 A CZ2 4 3.4 Apolar ARG 211 B CD 9 Between chains.
366 TRP 519 A CZ2 4 3.7 Apolar ARG 211 B CZ 9 Between chains.
367 TRP 519 A CZ2 4 3.8 Apolar PRO 230 B C 4 Between chains.
368 TRP 519 A CZ2 4 3.7 Apolar PRO 230 B CB 4 Between chains.
369 TRP 519 A CZ3 4 3.9 Apolar LEU 209 B C 5 Between chains.
370 TRP 519 A CZ3 4 3.9 Apolar LEU 210 B CA 4 Between chains.
371 TRP 519 A CZ3 4 3.8 Apolar LEU 210 B C 4 Between chains.
372 TRP 519 A CZ3 4 3.8 Apolar ARG 211 B CB 9 Between chains.
373 TRP 519 A CZ3 4 3.0 Apolar ARG 211 B CG 9 Between chains.
374 TRP 519 A CZ3 4 3.7 Apolar ARG 211 B CD 9 Between chains.
375 TRP 519 A CH2 4 4.0 Apolar LEU 209 B CB 5 Between chains.
376 TRP 519 A CH2 4 3.2 Apolar ARG 211 B CG 9 Between chains.
377 TRP 519 A CH2 4 3.2 Apolar ARG 211 B CD 9 Between chains.
378 ASN 521 A CB 4 4.0 Apolar HIS 555 B2 C 3 Between chains.
379 ASN 521 A CB 4 3.6 Apolar VAL 556 B2 CA 1 Between chains.
380 ASN 521 A CG 4 3.8 Apolar LYS 559 B2 CB 5 Between chains.
381 SER 523 A CA 8 3.9 Apolar VAL 556 B2 CG2 1 Between chains.
382 PHE 524 A CB 5 3.8 Apolar ALA 216 B CB 8 Between chains.
383 PHE 524 A CE1 5 3.9 Apolar ILE 250 B CD1 5 Between chains.
384 PHE 527 A CB 5 3.6 Apolar LEU 210 B CD1 4 Between chains.
385 PHE 527 A CG 5 3.9 Apolar LEU 210 B CD1 4 Between chains.
386 PHE 527 A CD1 5 3.7 Apolar LEU 204 B CD1 9 Between chains.
387 PHE 527 A CD1 5 3.8 Apolar LEU 204 B CD2 9 Between chains.
388 PHE 527 A CD2 5 3.6 Apolar ILE 250 B CD1 5 Between chains.
389 PHE 527 A CE1 5 3.7 Apolar LEU 204 B CD2 9 Between chains.
390 PHE 527 A CE1 5 3.8 Apolar VAL 535 B CG1 6 Between chains.
391 PHE 527 A CE2 5 3.7 Apolar ILE 250 B CD1 5 Between chains.
392 PHE 527 A CE2 5 3.6 Apolar LEU 253 B CD1 7 Between chains.
393 PHE 527 A CZ 5 3.7 Apolar LEU 253 B CD1 7 Between chains.
394 PHE 527 A CZ 5 3.9 Apolar PHE 254 B CZ 9 Between chains.
395 LEU 531 A CD1 6 3.4 Apolar LEU 253 B CD1 7 Between chains.
396 LEU 531 A CD2 6 3.4 Apolar VAL 535 B CG1 6 Between chains.
397 ALA 534 A CB 8 4.0 Apolar VAL 530 B CG1 3 Between chains.
398 ALA 534 A CB 8 4.0 Apolar ALA 534 B CB 8 Between chains.
399 VAL 535 A CG1 6 3.7 Apolar PHE 527 B CE1 5 Between chains.
400 VAL 535 A CG1 6 3.3 Apolar LEU 531 B CD2 6 Between chains.
401 HIS 555 A C 3 3.8 Apolar ASN 521 B2 CB 4 Between chains.
402 VAL 556 A CA 1 3.4 Apolar ASN 521 B2 CB 4 Between chains.
403 VAL 556 A CB 1 3.7 Apolar GLU 208 A2 CD 5 Between chains.
404 VAL 556 A CG1 1 3.8 Apolar GLU 208 A2 CB 5 Between chains.
405 VAL 556 A CG1 1 3.9 Apolar GLU 208 A2 CG 5 Between chains.
406 VAL 556 A CG1 1 4.0 Apolar GLU 208 A2 CD 5 Between chains.
407 VAL 556 A CG1 1 3.9 Apolar ASN 520 B2 CG 8 Between chains.
408 VAL 556 A CG2 1 3.7 Apolar SER 523 B2 CA 8 Between chains.
409 VAL 556 A CG2 1 4.0 Apolar SER 523 B2 CB 8 Between chains.
410 LYS 559 A CB 5 3.6 Apolar ASN 521 B2 CG 4 Between chains.
411 GLU 136 A OE2 4 3.1 SaltBr. LYS 430 B NZ 7 Between chains.
412 LYS 237 A NZ 4 2.9 SaltBr. ASP 435 B OD1 5 Between chains.
413 LYS 430 A NZ 7 3.2 SaltBr. GLU 136 B OE2 4 Between chains.
414 ASP 435 A OD1 5 3.0 SaltBr. LYS 237 B NZ 4 Between chains.
415 ARG 211 A CD 9 4.1 CatPi TRP 519 B CD2 4 Between chains.
416 ARG 211 A CD 9 3.8 CatPi TRP 519 B CE2 4 Between chains.
417 ARG 211 A CD 9 4.0 CatPi TRP 519 B CE3 4 Between chains.
418 ARG 211 A CD 9 3.3 CatPi TRP 519 B CZ2 4 Between chains.
419 ARG 211 A CD 9 3.6 CatPi TRP 519 B CZ3 4 Between chains.
420 ARG 211 A CD 9 3.2 CatPi TRP 519 B CH2 4 Between chains.
421 ARG 211 A CZ 9 4.7 CatPi TRP 519 B CD2 4 Between chains.
422 ARG 211 A CZ 9 3.8 CatPi TRP 519 B CE2 4 Between chains.
423 ARG 211 A CZ 9 5.3 CatPi TRP 519 B CE3 4 Between chains.
424 ARG 211 A CZ 9 3.6 CatPi TRP 519 B CZ2 4 Between chains.
425 ARG 211 A CZ 9 5.1 CatPi TRP 519 B CZ3 4 Between chains.
426 ARG 211 A CZ 9 4.3 CatPi TRP 519 B CH2 4 Between chains.
427 LYS 237 A CE 4 5.0 CatPi TRP 500 B CD2 8 Between chains.
428 LYS 237 A CE 4 4.3 CatPi TRP 500 B CE2 8 Between chains.
429 LYS 237 A CE 4 5.9 CatPi TRP 500 B CE3 8 Between chains.
430 LYS 237 A CE 4 4.6 CatPi TRP 500 B CZ2 8 Between chains.
431 LYS 237 A CE 4 5.6 CatPi TRP 500 B CH2 8 Between chains.
432 LYS 237 A NZ 4 4.2 CatPi TRP 500 B CD2 8 Between chains.
433 LYS 237 A NZ 4 3.3 CatPi TRP 500 B CE2 8 Between chains.
434 LYS 237 A NZ 4 4.9 CatPi TRP 500 B CE3 8 Between chains.
435 LYS 237 A NZ 4 3.3 CatPi TRP 500 B CZ2 8 Between chains.
436 LYS 237 A NZ 4 4.9 CatPi TRP 500 B CZ3 8 Between chains.
437 LYS 237 A NZ 4 4.2 CatPi TRP 500 B CH2 8 Between chains.
438 TYR 244 A CG 5 3.8 CatPi ARG 183 B CD 8 Between chains.
439 TYR 244 A CG 5 4.6 CatPi ARG 183 B CZ 8 Between chains.
440 TYR 244 A CD1 5 4.1 CatPi ARG 183 B CD 8 Between chains.
441 TYR 244 A CD1 5 5.1 CatPi ARG 183 B CZ 8 Between chains.
442 TYR 244 A CD2 5 3.6 CatPi ARG 183 B CD 8 Between chains.
443 TYR 244 A CD2 5 4.8 CatPi ARG 183 B CZ 8 Between chains.
444 TYR 244 A CE1 5 4.3 CatPi ARG 183 B CD 8 Between chains.
445 TYR 244 A CE1 5 5.8 CatPi ARG 183 B CZ 8 Between chains.
446 TYR 244 A CE2 5 3.8 CatPi ARG 183 B CD 8 Between chains.
447 TYR 244 A CE2 5 5.6 CatPi ARG 183 B CZ 8 Between chains.
448 TYR 244 A CZ 5 4.1 CatPi ARG 183 B CD 8 Between chains.
449 TRP 268 A CD2 7 4.2 CatPi ARG 463 B CD 9 Between chains.
450 TRP 268 A CD2 7 4.4 CatPi ARG 463 B CZ 9 Between chains.
451 TRP 268 A CE2 7 3.9 CatPi ARG 463 B CD 9 Between chains.
452 TRP 268 A CE2 7 4.9 CatPi ARG 463 B CZ 9 Between chains.
453 TRP 268 A CE3 7 5.0 CatPi ARG 463 B CD 9 Between chains.
454 TRP 268 A CE3 7 5.0 CatPi ARG 463 B CZ 9 Between chains.
455 TRP 268 A CZ2 7 4.6 CatPi ARG 463 B CD 9 Between chains.
456 TRP 268 A CZ2 7 5.8 CatPi ARG 463 B CZ 9 Between chains.
457 TRP 268 A CZ3 7 5.6 CatPi ARG 463 B CD 9 Between chains.
458 TRP 268 A CZ3 7 5.9 CatPi ARG 463 B CZ 9 Between chains.
459 TRP 268 A CH2 7 5.4 CatPi ARG 463 B CD 9 Between chains.
460 ARG 463 A CD 9 4.3 CatPi TRP 268 B CD2 7 Between chains.
461 ARG 463 A CD 9 3.9 CatPi TRP 268 B CE2 7 Between chains.
462 ARG 463 A CD 9 5.1 CatPi TRP 268 B CE3 7 Between chains.
463 ARG 463 A CD 9 4.6 CatPi TRP 268 B CZ2 7 Between chains.
464 ARG 463 A CD 9 5.6 CatPi TRP 268 B CZ3 7 Between chains.
465 ARG 463 A CD 9 5.4 CatPi TRP 268 B CH2 7 Between chains.
466 ARG 463 A CZ 9 4.4 CatPi TRP 268 B CD2 7 Between chains.
467 ARG 463 A CZ 9 4.9 CatPi TRP 268 B CE2 7 Between chains.
468 ARG 463 A CZ 9 5.0 CatPi TRP 268 B CE3 7 Between chains.
469 ARG 463 A CZ 9 5.8 CatPi TRP 268 B CZ2 7 Between chains.
470 ARG 463 A CZ 9 5.9 CatPi TRP 268 B CZ3 7 Between chains.
471 TRP 500 A CD2 8 5.3 CatPi LYS 237 B CE 4 Between chains.
472 TRP 500 A CD2 8 4.5 CatPi LYS 237 B NZ 4 Between chains.
473 TRP 500 A CE2 8 4.6 CatPi LYS 237 B CE 4 Between chains.
474 TRP 500 A CE2 8 3.6 CatPi LYS 237 B NZ 4 Between chains.
475 TRP 500 A CE3 8 5.2 CatPi LYS 237 B NZ 4 Between chains.
476 TRP 500 A CZ2 8 4.9 CatPi LYS 237 B CE 4 Between chains.
477 TRP 500 A CZ2 8 3.6 CatPi LYS 237 B NZ 4 Between chains.
478 TRP 500 A CZ3 8 5.3 CatPi LYS 237 B NZ 4 Between chains.
479 TRP 500 A CH2 8 5.9 CatPi LYS 237 B CE 4 Between chains.
480 TRP 500 A CH2 8 4.5 CatPi LYS 237 B NZ 4 Between chains.
481 TRP 519 A CD2 4 4.3 CatPi ARG 211 B CD 9 Between chains.
482 TRP 519 A CD2 4 4.9 CatPi ARG 211 B CZ 9 Between chains.
483 TRP 519 A CE2 4 3.9 CatPi ARG 211 B CD 9 Between chains.
484 TRP 519 A CE2 4 4.0 CatPi ARG 211 B CZ 9 Between chains.
485 TRP 519 A CE3 4 4.2 CatPi ARG 211 B CD 9 Between chains.
486 TRP 519 A CE3 4 5.4 CatPi ARG 211 B CZ 9 Between chains.
487 TRP 519 A CZ2 4 3.4 CatPi ARG 211 B CD 9 Between chains.
488 TRP 519 A CZ2 4 3.7 CatPi ARG 211 B CZ 9 Between chains.
489 TRP 519 A CZ3 4 3.7 CatPi ARG 211 B CD 9 Between chains.
490 TRP 519 A CZ3 4 5.2 CatPi ARG 211 B CZ 9 Between chains.
491 TRP 519 A CH2 4 3.2 CatPi ARG 211 B CD 9 Between chains.
492 TRP 519 A CH2 4 4.3 CatPi ARG 211 B CZ 9 Between chains.
493 LEU 171 A N 6 3.0 MetMisc CL 602 A CL
⤊⤊⤊――――――――――――――――――――――――――――――――――――――――――――――――――――――――――――――――――――――――――――――――――――――――――――――――――――――――――――――――――――――――――――――――――――――――――――――――――――――
AVERAGE CONSERVATION LEVELS PER ATOMS IN INTERACTING PAIRS (FOR PER RESIDUE, SEE BELOW)
Target Target Contacting Contacting
Atom ConSurf Average ConSurf Average
Bond Type Max Ĺ Pairs Atoms ConSurf Atoms ConSurf
-------------------------------------------------------------------------------------------------------------------
Hydrogen bonds (putative) 3.5 126 101 6.5 78 5.7
Apolar interactions 4.0 283 283 5.3 251 5.2
Salt bridges 4.0 4 4 5 4 5
Cation pi interactions (possible†) 6.0 78 78 6.6 78 7
-------------------------------------------------------------------------------------------------------------------
†CAUTION: Detection of Cation-Pi interactions is approximate.
For Covalent bonds/deep clashes and Metal & miscellaneous: See the main per-atom-pair listing above.
Cation Cation Pi Ring Pi Ring
ConSurf Average ConSurf Average
Bond Type Max Ĺ Atoms ConSurf Atoms ConSurf
-------------------------------------------------------------------------------------------------------------------
Cation pi interactions (possible†) 6.0 78 7.5 78 6.1
-------------------------------------------------------------------------------------------------------------------
†CAUTION: Detection of Cation-Pi interactions is approximate.
Cation Residues are Arg or Lys. Pi Ring Residues are Phe, Tyr or Trp.
"ConSurf Atoms" and Averages exclude blanks (not processed by ConSurf) and zeros (insufficient data).
Averages include atoms in all listed atom pairs (sometimes multiples/residue) that have ConSurf levels of 1-9.
To get the average ConSurf conservation level for any group of atoms or residues
that you specify, use Find.. (Focus Box), and then click List Found Atoms.
To obtain per-residue averages (rather than averages per interacting atom pair), include ~alphacarbons in Find..
Below are some examples. Click the links below to see the query used in Find...
You may use ~terms defined by FirstGlance in your Find.. query.
More ~terms are explained when you click the pink button [List Contacts Counts] in the Contacts Shown panel in FirstGlance.
Links below work only when the FirstGlance session that generated this report remains active in a separate browser tab.
• Cationic (+) amino acids in salt bridges
• Cationic (+) amino acids NOT in salt bridges
• Anionic (-) amino acids in salt bridges
• Anionic (-) amino acids NOT in salt bridges
• Amino acids in salt bridges
• Cationic (+) amino acids
• Anionic (-) amino acids
• Charged amino acids that are NOT in salt bridges
• Cationic (+) amino acids in cation-pi interactions
• Cationic (+) amino acids NOT in cation-pi interactions
• Aromatic amino acids in cation-pi interactions
• Aromatic amino acids NOT in cation-pi interactions
• Amino acids in cation-pi interactions
• Aromatic amino acids
• Charged amino acids
• Uncharged polar amino acids
• Apolar amino acids
• All amino acids
Verification:
The averages reported here can be verified by importing this report into a spreadsheet.
The ConSurf values can be verified against the "Per Residue Details" report at ConSurf.
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§ EXCLUSIONS:
- HYDROGEN atoms are always excluded from the above report. 83% of models in the Protein Data Bank
target="_blank">have no hydrogen atoms (May, 2024). The contacts and non-covalent
interactions tool in FirstGlance ignores hydrogen atoms when they are present (see Definitions).
- WATER is automatically excluded from the target unless you checked Target Water within Target Chains(s),
(or you checked Target All Water; or you target atoms with halos, and some water has halos from Find..).
Non-targeted water oxygens contacting target atoms are always reported.
――――――――――――――――――――――――――――――――――――――――――――――――――――――――――――――――――――――――――――――――――――――――――――――――――――――――――――――――――――――――――――――――――――――――――――――――――――――
Spreadsheet Procedure: - Copy only the above rows
between the above rows beginning
⤋⤋⤋ and
⤊⤊⤊.
- MICROSOFT EXCEL:
-- Open a new, blank spreadsheet. Click cell A1.
-- Edit, Paste Special, Text.
--
Auto-set all column widths: Select entire sheet (Ctrl-A or Cmd-A), double click on any
column boundary in the row of column letters at the top.
--
Delete blank rows: Select the Group1 column (click on column B at the top).
In the
Home tab, open
Find & Select, click on
Go to Special...,
check
Blanks, OK. Right click on a selected cell,
Delete...,
Entire row.
--
Delete all asterisks (*):
Edit menu at top,
Find...,
Replace....
Enter ~* (tilde asterisk) in the Find slot, and nothing in the Replace slot. Replace all.
- GOOGLE SHEETS:
-- Use the
Chrome Browser.
-- Go to
sheets.google.com.
-- Login (or create a login, recording your password safely).
-- Click the big
+ to open a new sheet.
-- Open the Sheet
Edit menu, Paste Special, Values Only.
(If asked to install the free Chrome Extension
Google Docs Offline, do that first.)
--
Auto-set all column widths: Click A above the first column to select the entire column. Holding down Shift,
click the letter above the last occupied column to select all columns. Double-click a column boundary.
--
Delete all asterisks (*): Open the Sheets Edit menu and click Find and Replace. The rest is straightforward.
--
Sort by multiple columns: Ctrl-A (macOS Cmd-A)
twice to select all data. Open Data, Sort Range, Advanced Options.
Check "Data has header row". The rest is straightforward.
-- (Blank rows will gather at the end after sorting.)
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