User:Susana Retamal/Sandbox1: Difference between revisions
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Rsp1275 is a member of the Fnr-Crp family of transcriptional regulators. Homologues of the Fnr protein from ''E. coli'' have been identified in a variety of taxonomically (1) diverse bacterial species. The bacterium ''Rhodobacter spheroides 2.4.1'' encodes 8 members of this family, however only 2 have known function. The modeling of 7 of them were successfully obtained using 3D-Jigsaw, all being very similar in structure to Crp (the only one with crystal structure solved). The DNA binding domain helix-turn-helix is located in the C-terminal, and the N-terminal part contains the allosteric effector domain. Rsp1275 has been linked with salt-tolerance in ''Rhodobacter spheroides''. Different genes coding for the Fnr-Crp proteins of unknown function have been cloned and a multicopy test was performed to evaluate these as potential regulators of NaCl-responsive genes. | Rsp1275 is a member of the Fnr-Crp family of transcriptional regulators. Homologues of the Fnr protein from ''E. coli'' have been identified in a variety of taxonomically (1) diverse bacterial species. The bacterium ''Rhodobacter spheroides 2.4.1'' encodes 8 members of this family, however only 2 have known function. The modeling of 7 of them were successfully obtained using 3D-Jigsaw, all being very similar in structure to Crp (the only one with crystal structure solved). The DNA binding domain helix-turn-helix is located in the C-terminal, and the N-terminal part contains the allosteric effector domain. Rsp1275 has been linked with salt-tolerance in ''Rhodobacter spheroides''. Different genes coding for the Fnr-Crp proteins of unknown function have been cloned and a multicopy test was performed to evaluate these as potential regulators of NaCl-responsive genes. | ||
# Jmol state version 11.5.35 2008-04-29 08:46; | |||
# fullName = "jmolApplet0__null__"; | |||
# documentBase = "http://bip.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=/LIGIM/fgij/20090427/UPL_4ce0f944185ebb4f14fa229bc8fc7748.pdb"; | |||
# codeBase = "http://bip.weizmann.ac.il/oca-docs/fgij/"; | |||
function _setWindowState(); | |||
# height 617; | |||
# width 716; | |||
stateVersion = 1105035; | |||
backgroundColor = "[x000000]"; | |||
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 loadFormat "http://www.rcsb.org/pdb/files/%FILE.pdb"; | |||
set forceAutoBond false; | |||
set minBondDistance 0.4; | |||
set percentVdwAtom 20; | |||
set smartAromatic true; | |||
load /*file*/"http://bip.weizmann.ac.il/LIGIM/fgij/20090427/UPL_4ce0f944185ebb4f14fa229bc8fc7748.pdb"; | |||
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 autobond true; | |||
set autofps false; | |||
set axes window; | |||
set axesmode 0; | |||
set axesscale 2.0; | |||
set bondmodeor false; | |||
set bondradiusmilliangstroms 150; | |||
set bondtolerance 0.45; | |||
set cartoonrockets false; | |||
set chaincasesensitive false; | |||
set dataseparator "[[User:Susana Retamal|Susana Retamal]]"; | |||
set delaymaximumms 0; | |||
set dipolescale 1.0; | |||
set disablepopupmenu false; | |||
set displaycellparameters true; | |||
set dotsselectedonly false; | |||
set dotsurface true; | |||
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 minbonddistance 0.4; | |||
set navigationperiodic false; | |||
set navigationspeed 5.0; | |||
set percentvdwatom 20; | |||
set pickingspinrate 10; | |||
set propertyatomnumberfield 0; | |||
set propertycolorscheme "roygb"; | |||
set propertydatafield 0; | |||
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 showmultiplebonds true; | |||
set shownavigationpointalways false; | |||
set smartaromatic true; | |||
set solventprobe false; | |||
set solventproberadius 1.2; | |||
set ssbondsbackbone true; | |||
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; | |||
@isd ({0:6 25:32 41:58 76:81 116:122 130:137 156:159 208:216 275:282 294:301 355:371 426:435 478:492 586:593 602:632 658:668 674:685 702:722 736:740 766:786 879:885 1017:1021 1034:1041 1056:1081 1089:1095 1270:1277 1339:1425}); | |||
@~anomalous_atoms ({}); | |||
@~backbone_invisible ({}); | |||
@~hidden_jdef ({}); | |||
@~hydroxy_unchained_nucs ({}); | |||
@~incomplete_aa_sidechains ({}); | |||
@~incomplete_nuc_sidechains ({}); | |||
@~incomplete_sidechains ({}); | |||
@~nobackbone_aas ({}); | |||
@~nophosphorus_nucs ({}); | |||
@~nucleic ({}); | |||
@~protein ({0:1425}); | |||
@~unbondable_aas ({}); | |||
@~unchained_aas ({}); | |||
@~unchained_nucs ({}); | |||
# 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 ({105:115 148:155 168:178 332:342 407:414 633:641 669:673 686:693 723:730 828:833 954:964 973:982 1308:1318}); | |||
color atoms opaque [xeaffff]; | |||
select ({18:24 72:75 82:86 97:104 381:406 514:520 532:539 551:563 572:585 741:747 946:953 983:991 1003:1016 1022:1029 1047:1055 1328:1334}); | |||
color atoms opaque [x10c8d1]; | |||
select ({0:1425}); | |||
Spacefill 0.0; | |||
select ({0:6 25:32 41:58 76:81 116:122 130:137 156:159 208:216 275:282 294:301 355:371 426:435 478:492 586:593 602:632 658:668 674:685 702:722 736:740 766:786 879:885 1017:1021 1034:1041 1056:1081 1089:1095 1270:1277 1339:1425}); | |||
color atoms opaque [xffff96]; | |||
select ({33:40 138:143 185:191 200:207 217:224 343:350 377:380 464:470 493:507 649:657 808:814 823:827 855:865 1183:1187 1319:1327}); | |||
color atoms opaque [xffffff]; | |||
select ({59:62 87:96 160:167 179:184 192:199 267:274 302:312 372:376 540:550 564:571 594:601 694:701 757:765 795:798 866:873 906:913 919:937 965:972 1030:1033 1082:1088 1145:1153 1214:1221 1278:1299}); | |||
color atoms opaque [xfcedf4]; | |||
select ({11:17 415:425}); | |||
color atoms opaque [x8cffff]; | |||
select ({7:10 123:129 240:250 320:323 442:448 458:463 748:756 834:841 992:1002 1096:1124 1136:1144 1154:1169 1200:1207 1239:1245}); | |||
color atoms opaque [xf07dab]; | |||
select ({144:147 225:228 251:259 324:331 351:354 642:648 842:845 874:878 886:894 914:918 1170:1182 1188:1199 1208:1213 1222:1238 1246:1262 1335:1338}); | |||
color atoms opaque [xa02560]; | |||
select ({63:71 229:239 260:266 283:293 313:319 436:441 449:457 471:477 508:513 521:531 731:735 787:794 799:807 815:822 846:854 895:905 938:945 1042:1046 1125:1135 1263:1269 1300:1307}); | |||
color atoms opaque [xfac9de]; | |||
select BONDS ({0:1453}); | |||
wireframe 0.0; | |||
measures delete; | |||
select *; set measures angstroms; | |||
font measures 15.0 SansSerif Plain; | |||
select measures ({null}); | |||
select ({0:1425}); | |||
Cartoon on; | |||
boundBox off; | |||
set echo off; | |||
set echo top left; echo " (Uploaded data)"; | |||
font echo 15.0 SansSerif Bold; | |||
color echo [xffffff]; | |||
hover "%n %r, Chain=%c, Element=%e"; | |||
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 {-39.613 2.3779984 -30.096} {-6.684002 52.818996 31.98} # volume = 103106.46; | |||
center {-23.255371 31.41681 2.846095}; | |||
moveto 0.0 { -417 -265 870 177.93} 100.0 0.0 0.08 {-23.255371 31.41681 2.846095} 35.494194 {0.0 0.0 0.0} -26.387678 -54.92651 50.0;; | |||
slab 100;depth 0; | |||
set spinX 0; set spinY 5; set spinZ 0; set spinFps 30; | |||
end function; | |||
function _setSelectionState(); | |||
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; | |||
Revision as of 10:47, 27 April 2009
Background InformationBackground Information
Rsp1275 is a member of the Fnr-Crp family of transcriptional regulators. Homologues of the Fnr protein from E. coli have been identified in a variety of taxonomically (1) diverse bacterial species. The bacterium Rhodobacter spheroides 2.4.1 encodes 8 members of this family, however only 2 have known function. The modeling of 7 of them were successfully obtained using 3D-Jigsaw, all being very similar in structure to Crp (the only one with crystal structure solved). The DNA binding domain helix-turn-helix is located in the C-terminal, and the N-terminal part contains the allosteric effector domain. Rsp1275 has been linked with salt-tolerance in Rhodobacter spheroides. Different genes coding for the Fnr-Crp proteins of unknown function have been cloned and a multicopy test was performed to evaluate these as potential regulators of NaCl-responsive genes.
- Jmol state version 11.5.35 2008-04-29 08:46;
# fullName = "jmolApplet0__null__"; # documentBase = "http://bip.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=/LIGIM/fgij/20090427/UPL_4ce0f944185ebb4f14fa229bc8fc7748.pdb"; # codeBase = "http://bip.weizmann.ac.il/oca-docs/fgij/";
function _setWindowState();
- height 617;
- width 716;
stateVersion = 1105035; backgroundColor = "[x000000]"; 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 loadFormat "http://www.rcsb.org/pdb/files/%FILE.pdb"; set forceAutoBond false; set minBondDistance 0.4; set percentVdwAtom 20; set smartAromatic true; load /*file*/"http://bip.weizmann.ac.il/LIGIM/fgij/20090427/UPL_4ce0f944185ebb4f14fa229bc8fc7748.pdb";
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 autobond true; set autofps false; set axes window; set axesmode 0; set axesscale 2.0; set bondmodeor false; set bondradiusmilliangstroms 150; set bondtolerance 0.45; set cartoonrockets false; set chaincasesensitive false; set dataseparator "Susana Retamal"; set delaymaximumms 0; set dipolescale 1.0; set disablepopupmenu false; set displaycellparameters true; set dotsselectedonly false; set dotsurface true; 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 minbonddistance 0.4; set navigationperiodic false; set navigationspeed 5.0; set percentvdwatom 20; set pickingspinrate 10; set propertyatomnumberfield 0; set propertycolorscheme "roygb"; set propertydatafield 0; 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 showmultiplebonds true; set shownavigationpointalways false; set smartaromatic true; set solventprobe false; set solventproberadius 1.2; set ssbondsbackbone true; 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;
@isd ({0:6 25:32 41:58 76:81 116:122 130:137 156:159 208:216 275:282 294:301 355:371 426:435 478:492 586:593 602:632 658:668 674:685 702:722 736:740 766:786 879:885 1017:1021 1034:1041 1056:1081 1089:1095 1270:1277 1339:1425}); @~anomalous_atoms ({}); @~backbone_invisible ({}); @~hidden_jdef ({}); @~hydroxy_unchained_nucs ({}); @~incomplete_aa_sidechains ({}); @~incomplete_nuc_sidechains ({}); @~incomplete_sidechains ({}); @~nobackbone_aas ({}); @~nophosphorus_nucs ({}); @~nucleic ({}); @~protein ({0:1425}); @~unbondable_aas ({}); @~unchained_aas ({}); @~unchained_nucs ({});
- 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 ({105:115 148:155 168:178 332:342 407:414 633:641 669:673 686:693 723:730 828:833 954:964 973:982 1308:1318}); color atoms opaque [xeaffff]; select ({18:24 72:75 82:86 97:104 381:406 514:520 532:539 551:563 572:585 741:747 946:953 983:991 1003:1016 1022:1029 1047:1055 1328:1334}); color atoms opaque [x10c8d1]; select ({0:1425}); Spacefill 0.0; select ({0:6 25:32 41:58 76:81 116:122 130:137 156:159 208:216 275:282 294:301 355:371 426:435 478:492 586:593 602:632 658:668 674:685 702:722 736:740 766:786 879:885 1017:1021 1034:1041 1056:1081 1089:1095 1270:1277 1339:1425}); color atoms opaque [xffff96]; select ({33:40 138:143 185:191 200:207 217:224 343:350 377:380 464:470 493:507 649:657 808:814 823:827 855:865 1183:1187 1319:1327}); color atoms opaque [xffffff]; select ({59:62 87:96 160:167 179:184 192:199 267:274 302:312 372:376 540:550 564:571 594:601 694:701 757:765 795:798 866:873 906:913 919:937 965:972 1030:1033 1082:1088 1145:1153 1214:1221 1278:1299}); color atoms opaque [xfcedf4]; select ({11:17 415:425}); color atoms opaque [x8cffff]; select ({7:10 123:129 240:250 320:323 442:448 458:463 748:756 834:841 992:1002 1096:1124 1136:1144 1154:1169 1200:1207 1239:1245}); color atoms opaque [xf07dab]; select ({144:147 225:228 251:259 324:331 351:354 642:648 842:845 874:878 886:894 914:918 1170:1182 1188:1199 1208:1213 1222:1238 1246:1262 1335:1338}); color atoms opaque [xa02560]; select ({63:71 229:239 260:266 283:293 313:319 436:441 449:457 471:477 508:513 521:531 731:735 787:794 799:807 815:822 846:854 895:905 938:945 1042:1046 1125:1135 1263:1269 1300:1307}); color atoms opaque [xfac9de]; select BONDS ({0:1453}); wireframe 0.0;
measures delete; select *; set measures angstroms; font measures 15.0 SansSerif Plain; select measures ({null});
select ({0:1425}); Cartoon on;
boundBox off;
set echo off; set echo top left; echo " (Uploaded data)"; font echo 15.0 SansSerif Bold; color echo [xffffff];
hover "%n %r, Chain=%c, Element=%e";
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 {-39.613 2.3779984 -30.096} {-6.684002 52.818996 31.98} # volume = 103106.46; center {-23.255371 31.41681 2.846095}; moveto 0.0 { -417 -265 870 177.93} 100.0 0.0 0.08 {-23.255371 31.41681 2.846095} 35.494194 {0.0 0.0 0.0} -26.387678 -54.92651 50.0;; slab 100;depth 0; set spinX 0; set spinY 5; set spinZ 0; set spinFps 30;
end function;
function _setSelectionState();
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;
Evidence of Fnr-Crp protein Involvement in Transcriptional Response to NaClEvidence of Fnr-Crp protein Involvement in Transcriptional Response to NaCl
Physico - Chemical parameters for Rsp1275Physico - Chemical parameters for Rsp1275
Number of amino acids: 249
Molecular weight: 28014.2
Theoretical pI: 6.10
Amino Acid | Number present | Percentage of total present |
---|---|---|
Ala (A) | 15 | 8.8% |
Arg (R) | 10 | 10.4% |
Asn (N) | 6 | 2.4% |
Asp (D) | 10 | 4.8% |
Cys (C) | 1 | 1.2% |
Gln (Q) | 5 | 2.8% |
Glu (E) | 11 | 8.0% |
Gly (G) | 9 | 7.6% |
His (H) | 10 | 2.4% |
Ile (I) | 3 | 4.0% |
Leu (L) | 21 | 14.5% |
Lys (K) | 6 | 1.2% |
Met (M) | 6 | 2.4% |
Phe (F) | 2 | 4.0% |
Pro (P) | 8 | 5.2% |
Ser (S) | 7 | 4.4% |
Thr (T) | 13 | 6.4% |
Trp (W) | 2 | 2.0% |
Tyr (Y) | 6 | 0.4% |
Val (V) | 12 | 5.6% |
Pyl (O) | 0 | 0.% |
Sec (U) | 0 | 0.0% |
Amino Acid Conservation ScoresAmino Acid Conservation Scores
- POS: The position of the AA in the SEQRES derived sequence. - SEQ: The SEQRES derived sequence in one letter code. - 3LATOM: The ATOM derived sequence in three letter code, including the AA's positions as they appear in the PDB file and the chain identifier. - SCORE: The normalized conservation scores. - COLOR: The color scale representing the conservation scores (9 - conserved, 1 - variable). - CONFIDENCE INTERVAL: When using the bayesian method for calculating rates, a confidence interval is assigned to each of the inferred evolutionary conservation scores. - CONFIDENCE INTERVAL COLORS: When using the bayesian method for calculating rates. The color scale representing the lower and upper bounds of the confidence interval. - MSA DATA: The number of aligned sequences having an amino acid (non-gapped) from the overall number of sequences at each position. - RESIDUE VARIETY: The residues variety at each position of the multiple sequence alignment.
POS SEQ 3LATOM SCORE COLOR CONFIDENCE INTERVAL CONFIDENCE INTERVAL COLORS MSA DATA RESIDUE VARIETY (normalized) 1 P PRO47: -1.063 8* -1.567,-0.697 9,7 3/19 P 2 G GLY48: -0.916 8 -1.417,-0.529 9,7 13/19 G,K 3 V VAL49: 1.226 2 0.404, 2.816 4,1 13/19 C,E,Q,R,V 4 T THR50: 1.816 1 0.790, 2.816 3,1 14/19 A,E,Q,T 5 L LEU51: 0.649 3* -0.136, 1.367 5,1 18/19 I,L,V 6 L LEU52: -0.142 5 -0.697, 0.404 7,4 18/19 F,I,L,Y 7 E GLU53: 1.061 2* 0.108, 1.367 5,1 18/19 A,E,I,K,Q,S,W 8 E GLU54: 0.909 2* 0.108, 1.367 5,1 18/19 A,E,Q,S 9 G GLY55: -0.349 6 -0.852, 0.108 7,5 18/19 D,E,G,P 10 Q GLN56: -0.600 7 -0.998,-0.344 8,6 18/19 D,E,Q,S 11 G GLY57: 2.391 1 2.816, 2.816 1,1 18/19 E,G,I,K,L,P,S,T,V 12 S SER58: 0.521 4* -0.136, 1.367 5,1 18/19 A,L,M,N,S,T 13 A ALA59: 2.175 1 1.367, 2.816 1,1 18/19 A,D,K,N,R,S,T 14 H HIS60: -0.278 6 -0.852, 0.108 7,5 18/19 F,H,K,S 15 L LEU61: 1.898 1 0.790, 2.816 3,1 18/19 C,F,I,L,V,Y 16 F PHE62: 0.468 4 -0.136, 0.790 5,3 18/19 A,F,L,S,Y 17 T THR63: 0.156 5* -0.529, 0.790 7,3 18/19 A,N,Q,S,T,V 18 V VAL64: -0.901 8 -1.277,-0.697 9,7 18/19 I,L,V 19 L LEU65: 0.975 2* 0.108, 1.367 5,1 18/19 A,I,L,M,R,S,V 20 S SER66: -0.045 5 -0.697, 0.404 7,4 18/19 E,H,R,S,T 21 G GLY67: -1.418 9 -1.755,-1.277 9,9 18/19 G 22 L LEU68: 0.334 4 -0.344, 0.790 6,3 18/19 A,I,K,L,T,V 23 G GLY69: 0.572 3* -0.136, 1.367 5,1 18/19 A,G,I,L,M,V 24 I ILE70: -0.318 6 -0.852, 0.108 7,5 18/19 I,K,R,T 25 R ARG71: 0.405 4 -0.344, 0.790 6,3 18/19 I,L,R,S,T 26 S SER72: -0.248 6 -0.852, 0.108 7,5 18/19 C,S,T,Y 27 T THR73: -0.039 5 -0.529, 0.404 7,4 18/19 K,Q,R,T 28 M MET74: -0.296 6 -0.852, 0.108 7,5 19/19 I,L,M,T,V 29 L LEU75: -0.075 5 -0.529, 0.404 7,4 19/19 A,L,M,S,T 30 E GLU76: 0.959 2* 0.108, 1.367 5,1 19/19 E,G,P,S,T 31 N ASN77: 0.131 5 -0.344, 0.404 6,4 19/19 D,E,N,Q,S,T 32 G GLY78: -1.441 9 -1.755,-1.277 9,9 19/19 G 33 R ARG79: -0.815 7 -1.139,-0.529 8,7 19/19 D,E,K,R 34 R ARG80: -0.887 8 -1.277,-0.529 9,7 19/19 E,Q,R 35 Q GLN81: -1.577 9 -1.755,-1.417 9,9 19/19 Q 36 V VAL82: -0.767 7 -1.139,-0.529 8,7 19/19 I,L,M,V 37 I ILE83: -0.369 6 -0.852, 0.108 7,5 19/19 E,I,L,T,V 38 N ASN84: 0.834 3* 0.108, 1.367 5,1 19/19 A,G,N,R,S 39 F PHE85: -0.749 7 -1.139,-0.344 8,6 19/19 F,L,V 40 L LEU86: 0.791 3* 0.108, 1.367 5,1 19/19 A,C,D,H,L,Q 41 F PHE87: -0.246 6 -0.852, 0.108 7,5 19/19 F,G,L 42 P PRO88: -0.534 7 -0.998,-0.136 8,5 19/19 A,P,V 43 G GLY89: -0.907 8 -1.277,-0.697 9,7 19/19 G,P,S 44 D ASP90: -1.388 9 -1.567,-1.277 9,9 19/19 D,E 45 F PHE91: 0.303 4 -0.344, 0.790 6,3 19/19 A,F,L,M,V,Y 46 I ILE92: -0.023 5 -0.697, 0.404 7,4 19/19 E,F,I,L,V 47 G GLY93: -1.441 9 -1.755,-1.277 9,9 19/19 G 48 L LEU94: 0.935 2* 0.108, 1.367 5,1 19/19 E,F,L,M,R,W 49 Q GLN95: 0.552 3* -0.136, 1.367 5,1 19/19 A,D,E,N,P,Q 50 A ALA96: -0.391 6 -1.139, 0.108 8,5 13/19 A,G 51 G GLY97: 0.022 5 -0.697, 0.404 7,4 13/19 G,I,L 52 L LEU98: 2.561 1 2.816, 2.816 1,1 19/19 A,F,G,H,L,M,P,S,T 53 A ALA99: 2.362 1 1.367, 2.816 1,1 19/19 A,G,N,Q,R,S,T,V 54 G GLY100: 2.565 1 2.816, 2.816 1,1 19/19 D,E,G,I,L,M,N,Q,R,S 55 E GLU101: 1.976 1 1.367, 2.816 1,1 19/19 A,E,H,K,N,Q,R,S,T 56 M MET102: 0.254 4 -0.344, 0.790 6,3 19/19 H,M,N,S,V,Y 57 R ARG103: 1.111 2 0.404, 1.367 4,1 19/19 A,N,P,Q,R,S,T,V 58 H HIS104: 0.562 3* -0.136, 1.367 5,1 19/19 F,G,H,L,N,S,Y 59 S SER105: -0.561 7 -0.998,-0.136 8,5 19/19 D,F,S,Y 60 V VAL106: -1.054 8 -1.417,-0.852 9,7 19/19 A,T,V 61 E GLU107: -0.753 7 -1.139,-0.529 8,7 19/19 D,E,Q,T 62 S SER108: -1.062 8 -1.417,-0.852 9,7 19/19 A,S,T 63 T THR109: -0.040 5 -0.529, 0.404 7,4 19/19 A,I,L,T,V 64 T THR110: -0.845 7 -1.277,-0.529 9,7 19/19 E,G,S,T 65 T THR111: 0.081 5* -0.529, 0.790 7,3 19/19 A,D,E,G,T 66 M MET112: 0.816 3* 0.108, 1.367 5,1 19/19 A,C,L,M,S,T,V 67 V VAL113: 0.008 5 -0.529, 0.404 7,4 19/19 E,L,M,R,T,V 68 L LEU114: -0.103 5 -0.697, 0.404 7,4 19/19 I,L,M,V 69 C CYS115: -0.836 7 -1.277,-0.529 9,7 19/19 A,C,V 70 V VAL116: 2.036 1 1.367, 2.816 1,1 19/19 C,E,I,K,Q,R,T,V 71 F PHE117: -0.769 7 -1.277,-0.344 9,6 19/19 F,I,V 72 N ASN118: 1.494 1 0.790, 2.816 3,1 19/19 A,F,G,K,N,P,R,S 73 R ARG119: -0.223 6 -0.697, 0.108 7,5 19/19 A,F,K,R,Y 74 A ALA120: 1.689 1 0.790, 2.816 3,1 18/19 A,D,E,G,K,N,S,T 75 D ASP121: 1.492 1 0.790, 2.816 3,1 18/19 D,I,L,P,T,V 76 L LEU122: -0.309 6 -0.852, 0.108 7,5 18/19 F,L 77 W TRP123: 1.635 1 0.790, 2.816 3,1 18/19 D,E,F,G,L,Q,W 78 D ASP124: 0.991 2* 0.108, 1.367 5,1 18/19 A,D,E,Q,R 79 L LEU125: -0.503 6 -0.998,-0.136 8,5 18/19 F,L,M,R 80 F PHE126: 0.962 2* 0.108, 1.367 5,1 18/19 A,F,I,L,M,S 81 R ARG127: 1.061 2* 0.108, 1.367 5,1 19/19 E,G,L,Q,R,S 82 E GLU128: 0.612 3* -0.136, 1.367 5,1 19/19 E,K,N,S,T 83 E GLU129: 0.413 4 -0.344, 0.790 6,3 19/19 D,E,M,Q,R,T 84 P PRO130: -1.243 9 -1.567,-0.998 9,8 19/19 P,Q 85 E GLU131: -0.080 5 -0.697, 0.404 7,4 19/19 E,H,K,N,Q 86 R ARG132: 0.801 3* 0.108, 1.367 5,1 19/19 I,L,M,R,V 87 A ALA133: 0.460 4 -0.344, 0.790 6,3 19/19 A,G,L,Q,R,S 88 Y TYR134: 0.879 2* 0.108, 1.367 5,1 19/19 C,H,L,Q,R,Y 89 D ASP135: 0.376 4 -0.344, 0.790 6,3 19/19 A,D,E,Q,R,S 90 L LEU136: -0.372 6 -0.852, 0.108 7,5 19/19 I,L,M 91 T THR137: 0.789 3* 0.108, 1.367 5,1 19/19 H,L,M,N,T,W 92 W TRP138: 0.918 2* 0.108, 1.367 5,1 19/19 A,D,E,R,T,W 93 I ILE139: 0.435 4 -0.344, 0.790 6,3 19/19 E,F,I,L,M,Q 94 A ALA140: -0.562 7 -0.998,-0.136 8,5 19/19 A,M,N,S,T 95 A ALA141: 0.604 3* -0.136, 1.367 5,1 19/19 A,F,I,L,S,T 96 V VAL142: 1.537 1 0.790, 2.816 3,1 19/19 A,D,G,K,N,R,S,T,V 97 E GLU143: -1.054 8 -1.417,-0.852 9,7 19/19 E,G,K 98 E GLU144: -0.200 6 -0.697, 0.108 7,5 19/19 E,I,L,M 99 H HIS145: 0.536 3* -0.136, 1.367 5,1 19/19 A,D,H,K,M,Q,S 100 F PHE146: 1.103 2* 0.108, 2.816 5,1 19/19 A,F,G,L,N,Q,R,S 101 L LEU147: -0.661 7 -1.139,-0.344 8,6 19/19 A,D,L 102 G GLY148: -0.441 6 -0.852,-0.136 7,5 19/19 E,G,Q,R 103 E GLU149: -0.539 7 -0.998,-0.136 8,5 19/19 D,E,K,Q 104 T THR150: 0.063 5 -0.529, 0.404 7,4 19/19 H,M,Q,T,W 105 I ILE151: -0.555 7 -0.998,-0.136 8,5 19/19 A,I,L,M 106 A ALA152: -0.041 5 -0.697, 0.404 7,4 19/19 A,G,L,V 107 S SER153: 0.364 4 -0.344, 0.790 6,3 19/19 L,S,T,V,Y 108 L LEU154: -1.173 8 -1.567,-0.998 9,8 19/19 I,L 109 G GLY155: -1.243 9 -1.567,-0.998 9,8 19/19 G,S 110 Q GLN156: -0.805 7 -1.139,-0.529 8,7 19/19 K,N,Q,R 111 R ARG157: 0.138 5 -0.344, 0.404 6,4 19/19 D,K,M,Q,R 112 D ASP158: -0.224 6 -0.697, 0.108 7,5 19/19 C,D,N,S,T 113 A ALA159: -1.362 9 -1.567,-1.139 9,8 19/19 A,I 114 T THR160: 0.916 2* 0.108, 1.367 5,1 19/19 D,E,N,Q,R,T,V 115 E GLU161: -1.294 9 -1.567,-1.139 9,8 19/19 E,V 116 R ARG162: -0.855 7 -1.277,-0.529 9,7 19/19 K,R 117 L LEU163: -0.418 6 -0.852,-0.136 7,5 19/19 I,L,V 118 A ALA164: -1.261 9 -1.567,-1.139 9,8 19/19 A,G,T 119 W TRP165: -0.387 6 -0.852,-0.136 7,5 19/19 A,H,S,W 120 A ALA166: -0.327 6 -0.852, 0.108 7,5 19/19 A,F,L,Y 121 L LEU167: -0.623 7 -1.139,-0.344 8,6 19/19 I,L 122 L LEU168: 2.061 1 1.367, 2.816 1,1 19/19 A,H,L,S,V,Y 123 R ARG169: 0.245 4 -0.344, 0.790 6,3 19/19 D,G,I,L,N,R 124 I ILE170: -0.525 6 -0.998,-0.136 8,5 19/19 I,L,W 125 H HIS171: 0.296 4 -0.344, 0.790 6,3 19/19 A,C,H,R,S 126 E GLU172: 2.674 1 2.816, 2.816 1,1 19/19 C,D,E,H,K,N,Q,R,T 127 R ARG173: -1.085 8 -1.417,-0.852 9,7 19/19 A,H,R 128 L LEU174: 1.821 1 0.790, 2.816 3,1 19/19 A,D,F,L,Q,S,Y 129 S SER175: 1.545 1 0.790, 2.816 3,1 19/19 A,E,G,L,S 130 A ALA176: 0.878 2* -0.136, 1.367 5,1 19/19 A,G,N,P,Q,R,T 131 I ILE177: 1.408 1 0.404, 2.816 4,1 17/19 E,I,K,P,Q,R,T 132 G GLY178: -0.288 6 -0.852, 0.108 7,5 17/19 G,N,S,T 133 L LEU179: 0.548 3* -0.344, 1.367 6,1 17/19 A,F,L,N,V 134 A ALA180: -0.547 7 -0.998,-0.136 8,5 17/19 A,G,S,T 135 E GLU181: 1.841 1 0.790, 2.816 3,1 18/19 A,D,E,G,H,K,P,S 136 R ARG182: 0.783 3* -0.136, 1.367 5,1 17/19 D,K,M,R,T,V 137 G GLY183: 0.172 5* -0.697, 0.790 7,3 2/19 G,T 138 R ARG184: 0.226 4* -0.529, 0.790 7,3 19/19 A,E,Q,R,T 139 V VAL185: -0.496 6 -1.139,-0.136 8,5 19/19 F,L,V 140 P PRO186: 0.687 3* -0.136, 1.367 5,1 19/19 D,P,R,S,T 141 M MET187: -0.889 8 -1.277,-0.529 9,7 19/19 L,M,V 142 P PRO188: -0.993 8 -1.417,-0.697 9,7 19/19 A,P,T 143 W TRP189: -1.104 8 -1.417,-0.852 9,7 19/19 L,M,W 144 R ARG190: -0.591 7 -0.998,-0.344 8,6 19/19 A,G,R,S,T 145 Q GLN191: -1.107 8 -1.417,-0.852 9,7 19/19 Q,R,W 146 Q GLN192: -0.300 6 -0.852, 0.108 7,5 19/19 A,E,G,Q,T 147 D ASP193: -0.990 8 -1.277,-0.697 9,7 19/19 D,E,Q 148 L LEU194: -0.925 8 -1.277,-0.697 9,7 19/19 I,L,M 149 A ALA195: -1.427 9 -1.755,-1.277 9,9 19/19 A,G 150 D ASP196: -1.403 9 -1.567,-1.277 9,9 19/19 D,N 151 A ALA197: 0.072 5 -0.529, 0.404 7,4 19/19 A,F,Y 152 L LEU198: -1.443 9 -1.755,-1.277 9,9 19/19 L 153 G GLY199: -1.441 9 -1.755,-1.277 9,9 19/19 G 154 L LEU200: -1.044 8 -1.417,-0.697 9,7 19/19 L,T 155 S SER201: -1.493 9 -1.755,-1.417 9,9 19/19 S,T 156 L LEU202: -0.226 6 -0.697, 0.108 7,5 19/19 I,L,P,V 157 V VAL203: -1.296 9 -1.567,-1.139 9,8 19/19 E,V 158 H HIS204: -1.435 9 -1.755,-1.277 9,9 19/19 H,T 159 T THR205: -1.190 8 -1.417,-0.998 9,8 19/19 I,T,V 160 N ASN206: -1.519 9 -1.755,-1.417 9,9 19/19 N,S 161 K LYS207: -1.390 9 -1.567,-1.277 9,9 19/19 K,R 162 T THR208: -0.802 7 -1.277,-0.529 9,7 19/19 L,Q,T,V 163 I ILE209: 0.127 5* -0.529, 0.790 7,3 19/19 F,I,L,M,V 164 R ARG210: -0.459 6 -0.852,-0.136 7,5 19/19 G,K,R,S,T 165 R ARG211: -0.501 6 -0.998,-0.136 8,5 19/19 A,K,R,Y 166 L LEU212: -0.866 7 -1.277,-0.529 9,7 19/19 F,L 167 R ARG213: 0.305 4 -0.344, 0.790 6,3 18/19 A,E,K,Q,R 168 E GLU214: -0.134 5 -0.697, 0.404 7,4 18/19 E,K,R 169 T THR215: 1.641 1 0.790, 2.816 3,1 16/19 D,H,I,L,M,Q,S,T 170 G GLY216: -1.323 9 -1.755,-1.139 9,8 14/19 G 171 H HIS217: 0.687 3* -0.136, 1.367 5,1 4/19 A,H,M,V 172 A ALA218: -0.749 7* -1.277,-0.344 9,6 4/19 A,I 173 L LEU219: -0.200 6* -0.852, 0.404 7,4 4/19 A,L,T 174 W TRP220: 0.478 4* -0.344, 1.367 6,1 4/19 I,L,V,W 175 E GLU221: 0.163 5* -0.697, 0.790 7,3 4/19 E,I,Q 176 G GLY222: -0.526 7* -1.139,-0.136 8,5 4/19 G,H 177 G GLY223: -0.842 7* -1.417,-0.529 9,7 2/19 G 178 T THR224: 0.181 4* -0.697, 0.790 7,3 2/19 G,T 179 L LEU225: -0.327 6* -1.139, 0.404 8,4 1/19 L 180 F PHE226: -0.327 6* -1.139, 0.404 8,4 1/19 F 181 V VAL227: -0.327 6* -1.139, 0.404 8,4 1/19 V
Structure of the Proposed rsp1275'
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