exit; # BEGINOFOPTIONS # Options for the scene # caption: Structure of the covalent enzyme intermediate. The active site residue Asp 52 and the carbohydrate are shown in CPK colors, with the 2FO-FC electron density within 1.5 A of these atoms as blue mesh. The backbone trace is shown in gold. # spinState: on # doModelReload: true # savePSpeed: -1 # killMove: 1 # killZoom: 1 # animationDirection: 0 # animationMode: PALINDROME # loopPause: 1 # ENDOFOPTIONS # Jmol state version 14.29.16 2018-06-03 23:13; # fullName = "jmolApplet0__911286323807633__"; # documentBase = "http://proteopedia.org/wiki/index.php?title=Hen_Egg-White_(HEW)_Lysozyme&action=edit"; # codeBase = "http:/wiki/extensions/jsmol/j2s/"; function _setWindowState() { # width 350; # height 350; stateVersion = 1429016; background [xffffff]; axis1Color = "[xff0000]"; axis2Color = "[x008000]"; axis3Color = "[x0000ff]"; set ambientPercent 45; set diffusePercent 84; set specular true; set specularPercent 22; set specularPower 40; set specularExponent 6; set celShading false; set celShadingPower 10; set zShadePower 3; } function _setFileState() { set allowEmbeddedScripts false; set appendNew true; set appletProxy ""; set applySymmetryToBonds false; set autoBond true; set bondRadiusMilliAngstroms 150; set bondTolerance 0.45; set defaultLattice {0 0 0}; set defaultLoadFilter ""; set defaultLoadScript ""; set defaultStructureDssp true; set defaultVDW Auto; set forceAutoBond false; # set defaultDirectory ""; # set loadFormat "https://files.rcsb.org/download/%FILE.pdb"; # set loadLigandFormat "https://files.rcsb.org/ligands/download/%FILE.cif"; # set smilesUrlFormat "https://cactus.nci.nih.gov/chemical/structure/%FILE/file?format=sdf&get3d=true"; # set nihResolverFormat "https://cactus.nci.nih.gov/chemical/structure/%FILE"; # set pubChemFormat "https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/%FILE/SDF?record_type=3d"; set bondingVersion 0; set legacyAutoBonding false; set legacyAutoBonding false; set legacyHAddition false; set legacyJavaFloat false; set minBondDistance 0.4; set minimizationCriterion 0.001; set minimizationSteps 100; set multipleBondBananas false; set pdbAddHydrogens false; set pdbGetHeader false; set pdbSequential false; set percentVdwAtom 23; set smallMoleculeMaxAtoms 40000; set smartAromatic true; reloadfile = false; load /*file*/"/cgi-bin/getfrozenstructure?932c10afc4e1e94cdeab12d300cbb47b"; reloadfile = true; } function _setParameterState() { set defaultanglelabel "%VALUE %UNITS"; set defaultcolorscheme "jmol"; set defaultdistancelabel "%VALUE %UNITS"; set defaultdrawarrowscale 0.5; set defaultlabelpdb "%m%r"; set defaultlabelxyz "%a"; set defaultlattice "{0 0 0}"; set defaultloadfilter ""; set defaultloadscript ""; set defaulttorsionlabel "%VALUE %UNITS"; set defaulttranslucent 0.5; set defaultvdw "Jmol"; set allowembeddedscripts true; set allowmoveatoms false; set allowrotateselected false; set animationmode "once"; set appletproxy ""; set applysymmetrytobonds false; set atomtypes ""; set autobond true; set autofps false; set axes window; set axesmode 0; set axesoffset 0.0; set axesscale 2.0; set bondmodeor false; set bondradiusmilliangstroms 150; set bondtolerance 0.45; set cartoonbaseedges false; set cartoonblockheight 0.5; set cartoonblocks false; set cartoonfancy false; set cartoonladders false; set cartoonrockets false; set cartoonsfancy false; set cartoonsteps false; set chaincasesensitive false; set dataseparator "~~~"; set defaultstructuredssp true; set delaymaximumms 0; set dipolescale 1.0; set disablepopupmenu false; set displaycellparameters true; set dotdensity 3; set dotscale 1; set dotsselectedonly false; set dotsurface true; set dragselected false; set drawfontsize 14.0; set drawhover false; set dsspcalculatehydrogenalways true; set ellipsoidarcs false; set ellipsoidarrows false; set ellipsoidaxes false; set ellipsoidaxisdiameter 0.02; set ellipsoidball true; set ellipsoiddotcount 200; set ellipsoiddots false; set ellipsoidfill false; set energyunits "kJ"; set forceautobond false; set gestureswipefactor 1.0; set greyscalerendering false; set hbondsbackbone false; set hbondsrasmol true; set hbondssolid false; set helixstep 1; set helppath "https://chemapps.stolaf.edu/jmol/docs/index.htm"; set hermitelevel 0; set hiddenlinesdashed false; set hidenameinpopup false; set hidenavigationpoint false; set highresolution false; set hoverdelay 0.5; set infofontsize 20; set isosurfacekey false; set isosurfacepropertysmoothing true; set isosurfacepropertysmoothingpower 7; set jmolinjspecview true; set justifymeasurements false; set loadatomdatatolerance 0.01; set measureallmodels false; set measurementlabels true; set meshscale 1; set messagestylechime false; set minbonddistance 0.4; set minimizationcriterion 0.001; set minimizationrefresh true; set minimizationsilent false; set minimizationsteps 100; set minpixelselradius 6; set modulationscale 1.0; set monitorenergy false; set multiplebondbananas false; set multiplebondradiusfactor 0.0; set multiplebondspacing -1.0; set navigationperiodic false; set navigationspeed 5.0; set nbocharges true; set nmrpredictformat "http://www.nmrdb.org/service/predictor?POST?molfile="; set nmrurlformat "http://www.nmrdb.org/new_predictor?POST?molfile="; set partialdots false; set particleradius 20.0; set pdbaddhydrogens false; set pdbgetheader false; set pdbsequential false; set percentvdwatom 23; set pickingspinrate 10; set pointgroupdistancetolerance 0.2; set pointgrouplineartolerance 8.0; set propertyatomnumbercolumncount 0; set propertyatomnumberfield 0; set propertycolorscheme "roygb"; set propertydatacolumncount 0; set propertydatafield 0; set quaternionframe "p"; set rangeselected false; set ribbonaspectratio 16; set ribbonborder false; set rocketbarrels false; set selecthetero true; set selecthydrogen true; set sheetsmoothing 1.0; set showhiddenselectionhalos false; set showhydrogens true; set showmeasurements true; set showmodulationvectors false; set showmultiplebonds true; set shownavigationpointalways false; set showunitcelldetails true; set slabbyatom false; set slabbymolecule false; set smallmoleculemaxatoms 40000; set smartaromatic true; set solventprobe false; set solventproberadius 1.2; set ssbondsbackbone true; set starwidth 0.05; set stereodegrees -5.0; set strandcountformeshribbon 7; set strandcountforstrands 5; set strutdefaultradius 0.3; set strutlengthmaximum 7.0; set strutsmultiple false; set strutspacing 6; set tracealpha true; set translucent true; set twistedsheets false; set usenumberlocalization true; set vectorscale 1.0; set vectorscentered false; set vectorsymmetry false; set vectortrail 0; set vibrationscale 1.0; set waitformoveto true; set wireframerotation false; set zdepth 0; set zoomheight false; set zoomlarge true; set zslab 50; # user-defined atom sets; @~anomalous_atoms ({}); @~backbone_invisible ({}); @~hydroxy_unchained_nucs ({}); @~nobackbone_aas ({}); @~nophosphorus_nucs ({}); @~protein ({0:1010}); @~unbondable_aas ({}); @~unchained_aas ({}); @~unchained_nucs ({}); } function _setModelState() { calculate hbonds; select all; wireframe off; spacefill off; dots off; backbone off; trace off; ribbon off; cartoon off; strands off; rocket off; meshribbon off; isosurface off; halos off; color cpk; hbonds off; data "connect_atoms" 16 301 4096 0.0 -2.517 hbond; 57 30 10240 0.0 -2.468 hbond; 65 34 10240 0.0 -2.096 hbond; 70 45 10240 0.0 -2.287 hbond; 75 51 10240 0.0 -1.935 hbond; 80 60 10240 0.0 -2.771 hbond; 88 68 10240 0.0 -2.192 hbond; 97 73 10240 0.0 -2.312 hbond; 108 78 10240 0.0 -1.784 hbond; 118 91 8192 0.0 -1.697 hbond; 122 83 12288 0.0 -2.519 hbond; 138 176 16384 0.0 -1.26 hbond; 146 125 8192 0.0 -2.152 hbond; 169 141 8192 0.0 -2.406 hbond; 173 149 8192 0.0 -1.743 hbond; 203 188 8192 0.0 -1.486 hbond; 211 188 10240 0.0 -1.007 hbond; 225 194 10240 0.0 -2.27 hbond; 232 202 10240 0.0 -2.628 hbond; 238 206 10240 0.0 -2.052 hbond; 243 214 10240 0.0 -2.278 hbond; 248 228 10240 0.0 -2.485 hbond; 257 235 10240 0.0 -2.091 hbond; 268 241 10240 0.0 -1.602 hbond; 284 246 10240 0.0 -2.126 hbond; 290 251 10240 0.0 -1.583 hbond; 290 246 12288 0.0 -0.713 hbond; 298 246 4096 0.0 -1.212 hbond; 309 287 8192 0.0 -1.349 hbond; 317 3 4096 0.0 -2.967 hbond; 333 312 8192 0.0 -1.514 hbond; 345 410 4096 0.0 -1.759 hbond; 364 397 16384 0.0 -2.808 hbond; 390 367 8192 0.0 -1.937 hbond; 407 348 4096 0.0 -2.782 hbond; 415 459 4096 0.0 -1.975 hbond; 427 336 4096 0.0 -2.892 hbond; 447 430 8192 0.0 -0.951 hbond; 456 418 12288 0.0 -2.039 hbond; 472 403 4096 0.0 -2.197 hbond; 489 467 8192 0.0 -0.88 hbond; 503 467 10240 0.0 -2.022 hbond; 523 622 4096 0.0 -2.742 hbond; 572 557 8192 0.0 -1.658 hbond; 578 481 4096 0.0 -2.357 hbond; 597 492 4096 0.0 -2.816 hbond; 605 506 4096 0.0 -1.638 hbond; 611 592 8192 0.0 -1.595 hbond; 634 526 4096 0.0 -2.637 hbond; 646 630 8192 0.0 -1.669 hbond; 651 637 8192 0.0 -1.634 hbond; 659 643 8192 0.0 -1.855 hbond; 667 649 8192 0.0 -0.824 hbond; 713 690 10240 0.0 -2.714 hbond; 720 698 10240 0.0 -2.698 hbond; 728 705 10240 0.0 -2.222 hbond; 734 710 10240 0.0 -2.63 hbond; 739 716 10240 0.0 -2.424 hbond; 748 723 10240 0.0 -1.446 hbond; 757 731 10240 0.0 -1.929 hbond; 765 737 10240 0.0 -2.713 hbond; 772 742 10240 0.0 -0.722 hbond; 778 760 8192 0.0 -1.602 hbond; 810 793 8192 0.0 -1.783 hbond; 818 801 8192 0.0 -1.315 hbond; 823 805 8192 0.0 -1.979 hbond; 863 826 10240 0.0 -2.214 hbond; 874 840 10240 0.0 -2.156 hbond; 882 847 10240 0.0 -1.802 hbond; 893 852 10240 0.0 -2.335 hbond; 899 852 12288 0.0 -3.16 hbond; 912 896 8192 0.0 -2.175 hbond; 927 915 6144 0.0 -2.195 hbond; 943 922 8192 0.0 -1.279 hbond; 948 930 8192 0.0 -1.898 hbond; 962 937 8192 0.0 -2.088 hbond; 970 946 8192 0.0 -1.042 hbond; 985 965 8192 0.0 -1.705 hbond; end "connect_atoms"; select ({0:407 409 410 415:1010}); color atoms opaque chain; select ({0:1241}); Spacefill 0; select BONDS ({0 1 6 9}); color bonds opaque [xffff30]; select BONDS ({0:11 38:453 461:1147}); wireframe 0; select BONDS ({12:37 454:460}); wireframe 0.4; Backbone ({0:1001}); Backbone 0.2; Backbone ({1002:1010}); Backbone 0.0; select ({0:1010}); color Backbone opaque [xffd700]; isosurface ID "s_one" select ({0:1241}) color [x6495ed] sigma -1.0 /*file*/"http://proteopedia.org/wiki/images/b/b3/1h6m.jvxl"; isosurface ID "s_one" noFill mesh noDots notFrontOnly frontlit; color isosurface opaque [x6495ed]; hover "%U"; frank on; font frank 16 SansSerif Plain; select *; set fontScaling false; } function _setPerspectiveState() { if (reloadfile) { set perspectiveModel 11; } set scaleAngstromsPerInch 0; set perspectiveDepth true; set visualRange 5; set cameraDepth 3; boundbox corners {-20.722 1.043999999999997 -3.3659999999999997} {19.887 41.269 41.587} # volume = 73430.591764825; if (reloadfile) { center {6.174519999999999 24.04584 25.138840000000002}; } # removed moveto -1.0 {0 0 1 0} 100.0 0.0 0.0 {-0.4175000000000004 21.156499999999998 19.110500000000002} 31.329855192862485 {0 0 0} 0 0 0 3.0 0.0 0.0; # removed save orientation "default"; slab 100;depth 0; set slabRange 0.0; set spinX = 0; set spinY = 5; set spinZ = 0; spinFps = 20; spin axisangle {0.0 1.0 0.0} 10.0; } function _setSelectionState() { select ({0:1241}); set hideNotSelected false; } function _setState() { # # initialize; # update caption ppdiaCaptionCmd = "changeCaption('Structure of the covalent enzyme intermediate. The active site residue Asp 52 and the carbohydrate are shown in CPK colors, with the 2FO-FC electron density within 1.5 A of these atoms as blue mesh. The backbone trace is shown in gold.');"; javascript @ppdiaCaptionCmd; select all; labels off; measurements off; set refreshing false; _setWindowState; _setFileState; _setParameterState; _setModelState; _setPerspectiveState; _setSelectionState; set refreshing false; SelectionHalos OFF; delay 1.0; moveto 1.0 { 4 -996 -85 151.34} 615.28 0.0 0.0 {6.174519999999999 24.04584 25.138840000000002} 40.46755187629986 {0 0 0} 0 0 0 3.0 0.0 0.0;; set refreshing true; if (antialiasDisplayFlag) { antialiasDisplay = true } else { antialiasDisplay = false }; set antialiasTranslucent true; set antialiasImages true; spin on; } _setState;