2QAD

structure of tyrosine-sulfated 412d antibody complexed with hiv-1 yu2 gp120 and cd4

• Total interactions analyzed: 28
• Total true interactions: 10
• Strongest Interaction:
  • Chains: E-G
  • Int. Res.: 22
  • Norm. En. per Res.: -3.2447
• Hub Node: A(4)

All Interactions

Chains	Hydro. Bond Ener. (kJ/mol)	Elec. Ener. (kJ/mol)	VDW. Ener. (kJ/mol)	Tot. Stab. Ener. (kJ/mol)	#int. res.	# Short cont.	#Hydr. int.	#VDW pairs	#salt bridges	#Pot. fav. elec. int	#Pot. unfav. elec. int
A-B	-29.6308	-30.447	-236.087	-296.1648	107	11	1	9660	3	31	27
A-C	-28.555	0.0	-45.1122	-73.6672	24	9	0	1617	0	2	2
A-D	-17.3203	-8.8304	-159.448	-185.5987	68	6	5	7143	0	14	7
A-E	-69.1283	13.1877	-314.078	-370.0186	126	24	10	13041	0	12	17
C-D	-12.8547	-18.171	-408.627	-439.6528	198	14	12	17498	3	26	14
C-G	0.0	-14.0179	-19.7148	-33.7327	40	3	0	1646	0	4	5
E-F	-24.0113	-36.2166	-229.674	-289.9019	107	14	1	9619	3	32	27
E-G	-25.931	0.0	-45.4522	-71.3832	22	6	0	1568	0	2	2
E-H	-13.0391	-8.715	-147.684	-169.4381	68	4	5	6894	0	13	7
G-H	-14.8558	-19.6875	-392.708	-427.2513	191	10	11	17111	3	26	13

Interface residues

• A-B: ALA281A, ARG456A, ARG469A, ARG476A, ARG480A, ARG58B, ARG59B, ASN276A, ASN279A, ASN280A, ASN30B, ASN32B, ASN362A, ASN39B, ASN425A, ASN478A, ASN52B, ASP368A, ASP457A, ASP461A, ASP474A, ASP477A, ASP53B, ASP63B, ASP88B, GLN258A, GLN25B, GLN33B, GLN40B, GLN428A, GLN64B, GLU102A, GLU106A, GLU275A, GLU370A, GLU429A, GLU85B, GLU87B, GLY124A, GLY125A, GLY366A, GLY367A, GLY38B, GLY41B, GLY431A, GLY458A, GLY459A, GLY471A, GLY472A, GLY473A, GLY47B, HIS105A, HIS27B, ILE24B, ILE284A, ILE285A, ILE34B, ILE36B, ILE371A, ILE424A, ILE467A, LEU37B, LEU44B, LEU453A, LEU454A, LEU61B, LYS22B, LYS282A, LYS29B, LYS35B, LYS432A, LYS460A, LYS46B, LYS90B, MET426A, MET475A, PHE26B, PHE43B, PHE468A, PHE67B, PRO363A, PRO369A, PRO470A, PRO48B, SER23B, SER256A, SER31B, SER364A, SER365A, SER375A, SER42B, SER49B, SER60B, THR123A, THR257A, THR278A, THR283A, THR455A, THR45B, THR462A, TRP28B, TRP427A, TRP62B, TYR384A, VAL255A, VAL372A, VAL430A
• A-C: ALA204A, ASN31C, ASP92C, CYS119A, CYS205A, GLN203A, GLN90C, HIS91C, ILE201A, ILE29C, LYS117A, LYS121A, LYS207A, PRO118A, PRO206A, PRO95C, SER30C, SER93C, SER94C, THR202A, TRP32C, TYR96C, VAL120A, VAL200A
• A-D: ALA100D, ALA204A, ALA33D, ALA433A, ALA436A, ALA57D, ARG298A, ARG327A, ARG419A, ARG440A, ASN100D, ASN302A, ASN35D, ASN425A, ASN55D, ASN98D, ASP100D, ASP325A, ASP99D, CYS119A, CYS205A, GLN203A, GLN328A, GLN422A, GLN64D, GLU100D, GLU381A, GLY100D, GLY125A, GLY324A, GLY50D, HIS58D, ILE201A, ILE322A, ILE323A, ILE326A, ILE423A, ILE424A, ILE439A, ILE51D, ILE52D, ILE53D, ILE56D, LEU122A, LYS121A, LYS207A, LYS432A, MET100D, MET426A, MET434A, PHE54D, PRO100D, PRO118A, PRO206A, PRO437A, PRO438A, PRO52D, SER100D, SER199A, THR202A, THR303A, TRP100D, TRP47D, TYR100D, TYR435A, TYR59D, VAL120A, VAL200A
• A-E: ALA219A, ALA219E, ALA221A, ALA221E, ALA316A, ALA316E, ARG252A, ARG252E, ARG304A, ARG304E, ARG315A, ARG315E, ARG440A, ARG440E, ARG444A, ARG444E, ASN295A, ASN295E, ASN300A, ASN300E, ASN308A, ASN308E, ASN99A, ASN99E, ASP107A, ASP107E, CYS218A, CYS218E, CYS247A, CYS247E, CYS445A, CYS445E, GLN103A, GLN103E, GLN114A, GLN114E, GLN246A, GLN246E, GLN442A, GLN442E, GLU106A, GLU106E, GLU211A, GLU211E, GLY250A, GLY250E, GLY312A, GLY312E, GLY314A, GLY314E, GLY321A, GLY321E, GLY441A, GLY441E, HIS105A, HIS105E, HIS216A, HIS216E, ILE108A, ILE108E, ILE109A, ILE109E, ILE213A, ILE213E, ILE215A, ILE215E, ILE225A, ILE225E, ILE251A, ILE251E, ILE307A, ILE307E, ILE309A, ILE309E, LEU111A, LEU111E, LEU317A, LEU317E, LEU483A, LEU483E, LYS305A, LYS305E, MET100A, MET100E, MET104A, MET104E, PHE210A, PHE210E, PHE223A, PHE223E, PRO214A, PRO214E, PRO220A, PRO220E, PRO253A, PRO253E, PRO313A, PRO313E, SER110A, SER110E, SER115A, SER115E, SER209A, SER209E, SER306A, SER306E, SER446A, SER446E, THR248A, THR248E, THR297A, THR297E, THR303A, THR303E, THR319A, THR319E, THR320A, THR320E, TRP112A, TRP112E, TYR217A, TYR217E, TYR318A, TYR318E, VAL488A, VAL488E
• C-D: ALA125D, ALA130C, ALA136D, ALA137D, ALA168D, ALA33D, ALA34C, ALA43C, ALA51C, ALA60D, ALA93D, ARG105D, ARG38D, ARG42C, ARG62D, ASN137C, ASN138C, ASN158C, ASN210C, ASN31C, ASN35D, ASN98D, ASP101D, ASP122C, ASP144D, ASP167C, ASP170C, ASP1C, ASP92C, CYS140D, CYS88C, CYS92D, GLN100C, GLN124C, GLN160C, GLN171D, GLN37C, GLN38C, GLN39D, GLN3D, GLN43D, GLN61D, GLN6C, GLN6D, GLN89C, GLN90C, GLU100D, GLU123C, GLU161C, GLU165C, GLU212D, GLU213C, GLU46D, GLY100D, GLY101C, GLY104D, GLY106D, GLY128C, GLY133D, GLY134D, GLY139D, GLY162D, GLY212C, GLY41C, GLY42D, GLY44D, GLY49D, GLY50D, GLY99C, HIS164D, HIS58D, HIS91C, ILE117C, ILE51D, ILE52D, LEU102D, LEU124D, LEU125C, LEU135C, LEU136C, LEU138D, LEU141D, LEU159D, LEU170D, LEU175C, LEU178D, LEU179C, LEU181C, LEU33C, LEU45D, LEU46C, LEU47C, LYS103C, LYS126C, LYS129D, LYS143D, LYS169C, LYS207C, LYS209D, LYS214D, LYS39C, LYS45C, LYS50C, LYS55C, MET100D, MET48C, MET48D, PHE100D, PHE116C, PHE118C, PHE122D, PHE139C, PHE166D, PHE209C, PHE98C, PRO100D, PRO119C, PRO120C, PRO123D, PRO126D, PRO167D, PRO40C, PRO44C, PRO52D, PRO95C, PRO95D, SER100D, SER114C, SER120D, SER121C, SER127C, SER127D, SER128D, SER130D, SER131C, SER132D, SER161D, SER162C, SER172D, SER173D, SER174C, SER176C, SER177C, SER177D, SER179D, SER180D, SER208C, SER53C, SER56C, SER93C, SER94C, SER94D, THR107D, THR129C, THR131D, THR135D, THR160D, THR164C, THR165D, THR172C, THR178C, THR180C, THR183D, THR206C, THR85C, THR97C, TRP100D, TRP103D, TRP154D, TRP32C, TRP35C, TRP36D, TRP47D, TYR100D, TYR173C, TYR36C, TYR49C, TYR59D, TYR86C, TYR87C, TYR91D, TYR96C, TYR96D, VAL115C, VAL121D, VAL132C, VAL133C, VAL142D, VAL163C, VAL163D, VAL169D, VAL181D, VAL182D, VAL184D, VAL205C, VAL211D, VAL37D, VAL89D
• C-G: ARG18C, ARG18G, ARG24C, ARG24G, ARG61G, CYS23C, CYS23G, GLU70C, GLU70G, GLY64C, GLY64G, GLY66C, GLY66G, ILE21C, ILE21G, ILE75C, LEU73C, LEU73G, PHE71C, PHE71G, SER52C, SER52G, SER63C, SER63G, SER65C, SER65G, SER67C, SER67G, SER76C, SER76G, SER7C, SER7G, THR20C, THR20G, THR22C, THR22G, THR72C, THR72G, THR74C, THR74G
• E-F: ALA281E, ARG456E, ARG469E, ARG476E, ARG480E, ARG58F, ARG59F, ASN276E, ASN279E, ASN280E, ASN30F, ASN32F, ASN362E, ASN39F, ASN425E, ASN478E, ASN52F, ASP368E, ASP457E, ASP461E, ASP474E, ASP477E, ASP53F, ASP63F, ASP88F, GLN258E, GLN25F, GLN33F, GLN40F, GLN428E, GLN64F, GLU102E, GLU106E, GLU275E, GLU370E, GLU429E, GLU85F, GLU87F, GLY124E, GLY125E, GLY366E, GLY367E, GLY38F, GLY41F, GLY431E, GLY458E, GLY459E, GLY471E, GLY472E, GLY473E, GLY47F, HIS105E, HIS27F, ILE24F, ILE284E, ILE285E, ILE34F, ILE36F, ILE371E, ILE424E, ILE467E, LEU37F, LEU44F, LEU453E, LEU454E, LEU61F, LYS22F, LYS282E, LYS29F, LYS35F, LYS432E, LYS460E, LYS46F, LYS90F, MET426E, MET475E, PHE26F, PHE43F, PHE468E, PHE67F, PRO363E, PRO369E, PRO470E, PRO48F, SER23F, SER256E, SER31F, SER364E, SER365E, SER375E, SER42F, SER49F, SER60F, THR123E, THR257E, THR278E, THR283E, THR455E, THR45F, THR462E, TRP28F, TRP427E, TRP62F, TYR384E, VAL255E, VAL372E, VAL430E
• E-G: ALA204E, ASN31G, ASP92G, CYS119E, CYS205E, GLN203E, GLN90G, HIS91G, ILE201E, ILE29G, LYS117E, LYS207E, PRO206E, PRO95G, SER30G, SER93G, SER94G, THR202E, TRP32G, TYR96G, VAL120E, VAL200E
• E-H: ALA100H, ALA204E, ALA33H, ALA433E, ALA436E, ALA57H, ARG298E, ARG327E, ARG419E, ARG440E, ASN100H, ASN302E, ASN35H, ASN425E, ASN98H, ASP100H, ASP325E, ASP99H, CYS119E, CYS205E, GLN203E, GLN328E, GLN422E, GLN64H, GLU100H, GLU381E, GLY100H, GLY125E, GLY324E, GLY50H, HIS58H, ILE201E, ILE322E, ILE323E, ILE326E, ILE423E, ILE424E, ILE439E, ILE51H, ILE52H, ILE53H, ILE56H, LEU122E, LYS117E, LYS121E, LYS207E, LYS432E, MET100H, MET426E, MET434E, PHE54H, PRO100H, PRO118E, PRO206E, PRO437E, PRO438E, PRO52H, SER100H, SER199E, THR202E, THR303E, TRP100H, TRP47H, TYR100H, TYR435E, TYR59H, VAL120E, VAL200E
• G-H: ALA125H, ALA130G, ALA136H, ALA137H, ALA168H, ALA34G, ALA43G, ALA51G, ALA60H, ALA93H, ARG105H, ARG38H, ARG42G, ARG62H, ASN137G, ASN138G, ASN158G, ASN210G, ASN31G, ASN35H, ASN98H, ASP101H, ASP122G, ASP144H, ASP167G, ASP170G, ASP1G, ASP92G, CYS140H, CYS88G, CYS92H, GLN100G, GLN124G, GLN160G, GLN171H, GLN37G, GLN38G, GLN39H, GLN43H, GLN61H, GLN6G, GLN6H, GLN89G, GLN90G, GLU100H, GLU123G, GLU161G, GLU165G, GLU213G, GLU46H, GLY100H, GLY101G, GLY104H, GLY106H, GLY128G, GLY133H, GLY134H, GLY139H, GLY162H, GLY212G, GLY41G, GLY42H, GLY44H, GLY49H, GLY50H, GLY99G, HIS164H, HIS58H, HIS91G, ILE117G, ILE51H, ILE52H, LEU102H, LEU124H, LEU125G, LEU135G, LEU136G, LEU138H, LEU141H, LEU170H, LEU175G, LEU178H, LEU179G, LEU33G, LEU45H, LEU46G, LEU47G, LYS103G, LYS126G, LYS129H, LYS143H, LYS169G, LYS207G, LYS209H, LYS214H, LYS39G, LYS45G, LYS50G, LYS55G, MET100H, MET48G, MET48H, PHE100H, PHE116G, PHE118G, PHE122H, PHE139G, PHE166H, PHE209G, PHE98G, PRO100H, PRO119G, PRO120G, PRO123H, PRO126H, PRO167H, PRO40G, PRO44G, PRO95G, PRO95H, SER100H, SER114G, SER120H, SER121G, SER127G, SER127H, SER128H, SER130H, SER131G, SER132H, SER161H, SER162G, SER172H, SER173H, SER174G, SER176G, SER177G, SER177H, SER179H, SER180H, SER208G, SER53G, SER56G, SER93G, SER94G, SER94H, THR107H, THR129G, THR131H, THR135H, THR160H, THR164G, THR165H, THR172G, THR178G, THR180G, THR183H, THR206G, THR85G, THR97G, TRP100H, TRP103H, TRP32G, TRP35G, TRP36H, TRP47H, TYR100H, TYR173G, TYR36G, TYR49G, TYR59H, TYR86G, TYR87G, TYR91H, TYR96G, TYR96H, VAL115G, VAL121H, VAL132G, VAL133G, VAL142H, VAL163G, VAL163H, VAL169H, VAL181H, VAL182H, VAL184H, VAL205G, VAL211H, VAL37H, VAL89H