# Jmol state version 11.6.27  2008-11-24 13:39;
  # fullName = "jmolApplet1__343458592891693__";
  # documentBase = "http://www.ebi.ac.uk/thornton-srv/databases/cgi-bin/MACiE/entry/displayStructure.pl?id=M0218";
  # codeBase = "http://www.ebi.ac.uk/thornton-srv/databases/MACiE/jmol/jmol/";


function _setWindowState();
# height 300;
# width 300;
  stateVersion = 1106027;
  backgroundColor = "[xffffff]";
  axis1Color = "[xff0000]";
  axis2Color = "[x008000]";
  axis3Color = "[x0000ff]";
  ambientPercent = 45;
  diffusePercent = 84;
  specular = true;
  specularPercent = 22;
  specularPower = 40;
  specularExponent = 6;
  statusReporting  = true;
end function;

function _setFileState();

  set allowEmbeddedScripts false;
  set autoBond true;
  set appendNew true;
  set appletProxy "";
  set applySymmetryToBonds false;
  set bondRadiusMilliAngstroms 150;
  set bondTolerance 0.45;
  set defaultDirectory "";
  set defaultLattice {0.0 0.0 0.0};
  set defaultLoadScript "";
  set defaultVDW Jmol;
  set forceAutoBond false;
  set loadFormat "http://www.rcsb.org/pdb/files/%FILE.pdb";
  set minBondDistance 0.4;
  set pdbSequential false;
  set pdbGetHeader false;
  set percentVdwAtom 20;
  set smartAromatic true;
  load /*file*/"";

end function;

function _setVariableState();

   set defaultanglelabel "%VALUE %UNITS";
   set defaultcolorscheme "Jmol";
   set defaultdirectory "";
   set defaultdistancelabel "%VALUE %UNITS";
   set defaultdrawarrowscale 0.5;
   set defaultlattice "{0 0 0}";
   set defaultloadscript "";
   set defaulttorsionlabel "%VALUE %UNITS";
   set defaulttranslucent 0.5;
   set defaultvdw "Jmol";
  set allowembeddedscripts true;
  set allowrotateselected false;
  set appletproxy "";
  set applysymmetrytobonds false;
  set atompicking true;
  set autobond true;
  set autofps false;
  set axes window;
  set axesmode 0;
  set axesscale 2.0;
  set bondmodeor false;
  set bondpicking false;
  set bondradiusmilliangstroms 150;
  set bondtolerance 0.45;
  set cartoonrockets false;
  set chaincasesensitive false;
  set dataseparator "~~~";
  set delaymaximumms 0;
  set dipolescale 1.0;
  set disablepopupmenu false;
  set displaycellparameters true;
  set dotdensity 3;
  set dotsselectedonly false;
  set dotsurface true;
  set drawhover false;
  set drawpicking false;
  set dynamicmeasurements false;
  set ellipsoidarcs false;
  set ellipsoidaxes false;
  set ellipsoidaxisdiameter 0.02;
  set ellipsoidball true;
  set ellipsoiddotcount 200;
  set ellipsoiddots false;
  set ellipsoidfill false;
  set forceautobond false;
  set greyscalerendering false;
  set hbondsbackbone false;
  set hbondssolid false;
  set helppath "http://www.stolaf.edu/academics/chemapps/jmol/docs/index.htm";
  set hermitelevel 0;
  set hidenameinpopup false;
  set hidenavigationpoint false;
  set highresolution false;
  set historylevel 0;
  set hoverdelay 0.5;
  set isosurfacepropertysmoothing true;
  set justifymeasurements false;
  set loadformat "http://www.rcsb.org/pdb/files/%FILE.pdb";
  set measureallmodels false;
  set measurementlabels true;
  set messagestylechime false;
  set minbonddistance 0.4;
  set navigationperiodic false;
  set navigationspeed 5.0;
  set pdbgetheader false;
  set pdbsequential false;
  set percentvdwatom 20;
  set pickingspinrate 10;
  set picklabel "";
  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 selectallmodels true;
  set selecthetero true;
  set selecthydrogen true;
  set sheetsmoothing 1.0;
  set showhiddenselectionhalos false;
  set showhydrogens true;
  set showmeasurements true;
  set showmultiplebonds true;
  set shownavigationpointalways false;
  set smartaromatic true;
  set solventprobe false;
  set solventproberadius 1.2;
  set ssbondsbackbone false;
  set stereodegrees -5;
  set strandcountformeshribbon 7;
  set strandcountforstrands 5;
  set testflag1 false;
  set testflag2 false;
  set testflag3 false;
  set testflag4 false;
  set tracealpha true;
  set usenumberlocalization true;
  set vectorscale 1.0;
  set vibrationperiod 1.0;
  set vibrationscale 1.0;
  set wireframerotation false;
  set zoomlarge true;
  set zshade false;

#user-defined variables; 
  @site_1 ({4950:4958 4974:4984 4993:5000 5014:5021 7509 7592});
  @site_ac1 ({1449:1457 1473:1483 1492:1499 1513:1520 7117 7304});
  @site_ac2 ({4950:4958 4974:4984 4993:5000 5014:5021 7509 7592});
  @site_act ({1208:1213 1369:1376 2030:2039});
  @site_bct ({4709:4714 4870:4877 5531:5540});
  site_ac1 = "[GLU]187:A [ARG]190:A [ASP]192:A [ASP]195:A [HOH]1074:A [HOH]1261:A".split(" ");
  site_ac2 = "[GLU]187:B [ARG]190:B [ASP]192:B [ASP]195:B [HOH]1079:B [HOH]1162:B".split(" ");
  site_act = "[SER]152:A [ASP]176:A [HIS]263:A".split(" ");
  site_bct = "[SER]152:B [ASP]176:B [HIS]263:B".split(" ");
  site_list = "site_AC1 site_BCT site_ACT site_AC2".split(" ");

# label defaults;
  select none;
  color label none;
  background label none;
  set labelOffset 4 4;
  set labelAlignment left;
  set labelPointer off;
  font label 13.0 SansSerif Plain;

end function;

function _setModelState();

  select ({2031});
  Spacefill 0.4;
  select ({0:2030 2032:7708});
  Spacefill 0.0;
  select BONDS ({5109:5115 5117:5119 5780:5783 5801:5807 5938:5941 5943 5956 5957 5959 5960 5962 6545:6553 6555 6557});
  wireframe 0.4;
  select BONDS ({0:5108 5116 5120:5779 5784:5800 5808:5937 5942 5944:5955 5958 5961 5963:6544 6554 6556 6558:7200});
  wireframe 0.0;

  select ({1385});
  label "Ala178A";
  select ({1362});
  label "Leu175A";
  select ({2031});
  label "His263A";
  select ({627});
  label "Phe77A";
  select ({1227});
  label "Ser155A";
  select ({1209});
  label "Ser152A";
  select ({627 1209 1227 1362 1385 2031});
  font label 17.0 SansSerif Plain;
  select ({1209});
  color label [xff0000];
  select ({627 1209 1227 1362 1385 2031});
  set labelOffset 4 4;
  select ({627 1227 1385});
  color label [x0000ff];
  select ({1362 2031});
  color label [x006400];
  measures delete;
  select *; set measures nanometers;
  font measures 15.0 SansSerif Plain;
  select measures ({null});

  boundBox off;

  unitcell off;

  frank on;
  font frank 16.0 SansSerif Bold;
  set fontScaling false;

end function;

function _setPerspectiveState();
  set perspectiveModel 11;
  set scaleAngstromsPerInch 0.0;
  set perspectiveDepth true;
  set visualRange 5.0;
  set cameraDepth 3.0;
  boundbox corners {-2.2789993 13.026001 -19.830002} {81.053 74.486 82.824} # volume = 525751.1;
  center {45.038 48.875 6.497};
  moveto 0.0 { 259 -803 537 33.05} 400.0 0.0 0.0 {45.038 48.875 6.497} 81.299706 {0.0 0.0 0.0} -39.52349 113.783005 50.0;;
  slab 100;depth 0;
  set spinX 0; set spinY 30; set spinZ 0; set spinFps 30;
end function;

function _setSelectionState();
  select ({2031});
  set hideNotSelected false;
end function;

function _setState();
  initialize;
  set refreshing false;
  _setWindowState;
  _setFileState;
  _setVariableState;
  _setModelState;
  _setPerspectiveState;
  _setSelectionState;
  set refreshing true;
  set antialiasDisplay false;
  set antialiasTranslucent true;
  set antialiasImages true;
end function;

_setState;