1ZA3

the crystal structure of the ysd1 fab bound to dr5

• Total interactions analyzed: 15
• Total true interactions: 11
• Strongest Interaction:
  • Chains: B-S
  • Int. Res.: 59
  • Norm. En. per Res.: -3.2337
• Hub Node: A(5)

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	-27.6089	-3.6239	-409.858	-441.0908	183	6	15	16662	0	18	16
A-R	0.0	9.2285	-0.4196	8.8089	5	0	0	58	0	2	8
A-L	-15.7692	0.0	-36.818	-52.5872	37	5	0	1705	0	2	3
A-H	0.0	-7.5668	-26.4879	-34.0547	30	2	0	1236	0	10	10
A-S	0.0	-5.099	-39.4561	-44.5551	29	3	1	2021	0	4	4
B-R	0.0	-34.877	-10.3108	-45.1878	16	0	0	454	3	12	10
B-H	0.0	0.0	-33.087	-33.087	32	1	0	1437	0	1	2
B-S	-28.6819	-16.8535	-145.253	-190.7885	59	2	3	5394	3	13	10
R-L	0.0	-2.5326	-42.3155	-44.8481	30	2	1	2203	0	5	4
R-H	-25.4751	-8.899	-139.658	-174.0322	55	8	3	5252	0	11	8
L-H	-4.9856	-1.5568	-397.373	-403.9155	178	7	14	16393	1	18	15

Interface residues

• A-B: ALA100B, ALA125B, ALA129A, ALA136B, ALA137B, ALA168B, ALA32A, ALA34A, ALA43A, ALA49B, ALA50A, ALA51A, ALA60B, ARG141A, ARG38B, ARG94B, ASN136A, ASN137A, ASP101B, ASP121A, ASP144B, ASP166A, ASP169A, ASP1A, ASP1A5, ASP61B, CB9.4814544.84990, CYS133A, CYS140B, CYS88A, CYS92B, GLN105B, GLN123A, GLN159A, GLN171B, GLN37A, GLN38A, GLN39B, GLN89A, GLN99A, GLU122A, GLU160A, GLU164A, GLU212A, GLU46B, GLU6B, GLY100A, GLY104B, GLY106B, GLY139B, GLY156A, GLY162B, GLY41A, GLY42B, GLY44B, GLY98A, HIS164B, HIS35B, ILE116A, ILE48A, LEU124A, LEU124B, LEU134A, LEU135A, LEU138B, LEU141B, LEU170B, LEU174A, LEU175B, LEU178A, LEU178B, LEU180A, LEU189B, LEU45B, LEU46A, LEU47A, LEU54A, LYS102A, LYS117B, LYS125A, LYS143B, LYS168A, LYS209B, LYS210B, LYS214B, LYS39A, LYS42A, LYS43B, LYS45A, MET100B, PHE115A, PHE117A, PHE122B, PHE138A, PHE166B, PHE208A, PHE97A, PRO118A, PRO119A, PRO123B, PRO126B, PRO167B, PRO40A, PRO44A, PRO94A, SER100B, SER113A, SER120A, SER120B, SER126A, SER127B, SER130A, SER158A, SER161A, SER161B, SER167A, SER172B, SER173A, SER173B, SER175A, SER176A, SER177B, SER179B, SER180B, SER186B, SER33B, SER50B, SER52B, SER56A, SER58B, SER90A, SER91A, SER92A, SER93A, SER93B, SER96B, THR128A, THR135B, THR160B, THR163A, THR165B, THR171A, THR177A, THR179A, THR183B, THR31A, THR85A, THR96A, TRP103B, TRP35A, TRP36B, TRP47B, TYR100B, TYR102B, TYR172A, TYR36A, TYR49A, TYR53A, TYR55A, TYR56B, TYR59B, TYR86A, TYR87A, TYR91B, TYR95A, TYR95B, VAL114A, VAL121B, VAL131A, VAL132A, VAL142B, VAL162A, VAL163B, VAL169B, VAL181B, VAL182B, VAL184B, VAL211B, VAL2B, VAL33A, VAL37B, VAL48B, VAL89B
• A-R: ASP121A, ASP95R, GLU122A, GLU94R, LYS125A
• A-L: ALA152A, ALA152L, ALA183A, ARG141L, ASN151A, ASN157A, ASN157L, ASP184A, ASP184L, GLN154A, GLN154L, GLN159L, GLU160L, GLY156A, GLY156L, HIS188A, HIS188L, LEU153A, LEU153L, LEU178A, LEU178L, LEU180A, LEU180L, LYS144L, LYS148A, LYS187A, SER155A, SER155L, SER158A, SER158L, SER181A, SER181L, THR179A, THR179L, TRP147A, VAL149A, VAL149L
• A-H: ALA183A, ALA84H, ARG66H, ARG83H, ASN157A, ASP121A, ASP86H, GLN123A, GLN171H, GLU122A, GLU85H, GLY127A, GLY156A, GLY174H, LEU124A, LEU170H, LEU180A, LYS125A, LYS182A, LYS43H, PRO14H, SER112H, SER126A, SER172H, SER181A, SER62H, THR128A, THR179A, THR87H, VAL111H
• A-S: ALA32A, ALA50A, ARG62S, ASN30A, ASP1A, ASP1A5, ASP28A, ASP56S, CB8.64038-20.39595, CYS60S, GLN27A, GLU36S, HIS33S, ILE2A, LEU57S, LEU58S, LEU61S, PHE59S, PRO94A, SER26A, SER90A, SER91A, SER92A, SER93A, THR31A, TYR53A, TYR95A, VAL29A, VAL33A
• B-R: ARG101R, ASP122R, ASP95R, CYS103R, GLU212B, GLY190B, ILE123R, ILE195B, LYS102R, LYS209B, LYS210B, PHE91R, PRO213B, SER96R, THR191B, THR193B
• B-H: ALA114B, ALA114H, ALA84H, ARG83H, ASP144B, GLN13H, GLN171B, GLN171H, GLY118B, GLY174B, GLY174H, LEU175B, LEU175H, LYS117B, LYS143B, LYS143H, PHE122B, PRO119B, PRO14H, SER112H, SER113B, SER113H, SER115B, SER115H, SER120B, SER172B, SER172H, SER173B, SER173H, THR116B, THR116H, TYR145B
• B-S: ALA100B, ARG39S, ARG66B, ARG83B, ARG92S, ASN55S, ASP37S, ASP40S, ASP56S, ASP61B, ASP95S, CYS28S, GLU25S, GLU36S, GLU85B, GLU93S, GLU94S, GLY26S, GLY38S, GLY55B, GLY65B, HIS35B, HIS53S, ILE34S, LEU27S, LEU57S, LEU58S, LEU61S, LYS64B, PHE59S, PRO23S, PRO52B, PRO97S, SER100B, SER24S, SER31B, SER33B, SER35S, SER51S, SER52B, SER54B, SER58B, SER62B, SER82B, SER96B, SER97B, THR52S, THR57B, TRP54S, TYR100B, TYR30B, TYR32B, TYR50S, TYR53B, TYR56B, TYR95B, TYR98B, TYR99B, VAL63B
• R-L: ALA32L, ALA50L, ARG62R, ASN30L, ASP1L, ASP28L, ASP56R, CYS60R, GLN27L, GLN3L, GLU36R, HIS33R, ILE2L, LEU57R, LEU58R, LEU61R, PHE59R, PRO94L, SER26L, SER35R, SER90L, SER91L, SER92L, SER93L, THR31L, TYR49L, TYR53L, TYR95L, VAL29L, VAL33L
• R-H: ALA100H, ARG39R, ARG66H, ARG83H, ASN55R, ASP37R, ASP40R, ASP56R, ASP61H, ASP95R, CYS28R, GLU25R, GLU36R, GLU94R, GLY26R, GLY38R, GLY55H, GLY65H, HIS35H, HIS53R, ILE34R, LEU27R, LEU57R, LEU58R, LEU61R, LYS64H, PHE59R, PRO23R, PRO97R, SER100H, SER24R, SER31H, SER33H, SER35R, SER51R, SER52H, SER54H, SER58H, SER62H, SER82H, SER96H, SER97H, THR52R, THR57H, TRP54R, TYR100H, TYR30H, TYR32H, TYR50R, TYR53H, TYR56H, TYR95H, TYR98H, TYR99H, VAL63H
• L-H: ALA100H, ALA125H, ALA129L, ALA136H, ALA137H, ALA168H, ALA32L, ALA34L, ALA43L, ALA49H, ALA50L, ALA51L, ALA60H, ARG141L, ARG38H, ARG94H, ASN136L, ASN137L, ASN157L, ASP101H, ASP121L, ASP144H, ASP166L, ASP169L, ASP1L, ASP61H, CYS133L, CYS140H, CYS88L, CYS92H, GLN105H, GLN123L, GLN159L, GLN171H, GLN37L, GLN38L, GLN39H, GLN89L, GLN99L, GLU122L, GLU160L, GLU164L, GLU212L, GLU46H, GLU6H, GLY100L, GLY104H, GLY106H, GLY134H, GLY139H, GLY162H, GLY41L, GLY42H, GLY44H, GLY98L, HIS164H, HIS35H, ILE116L, ILE48L, ILE51H, LEU124H, LEU124L, LEU134L, LEU135L, LEU138H, LEU141H, LEU170H, LEU174L, LEU175H, LEU178H, LEU178L, LEU180L, LEU45H, LEU46L, LEU47L, LEU54L, LYS102L, LYS125L, LYS143H, LYS168L, LYS209H, LYS214H, LYS39L, LYS42L, LYS43H, LYS45L, MET100H, PHE115L, PHE117L, PHE122H, PHE138L, PHE166H, PHE208L, PHE97L, PRO118L, PRO119L, PRO123H, PRO126H, PRO167H, PRO40L, PRO44L, PRO94L, SER100H, SER113L, SER120H, SER120L, SER126L, SER127H, SER130L, SER158L, SER161H, SER161L, SER167L, SER172H, SER173H, SER173L, SER175L, SER176L, SER177H, SER179H, SER180H, SER33H, SER50H, SER52H, SER56L, SER58H, SER90L, SER91L, SER92L, SER93H, SER93L, SER96H, THR128L, THR135H, THR160H, THR163L, THR165H, THR171L, THR177L, THR179L, THR183H, THR57H, THR85L, THR96L, TRP103H, TRP35L, TRP36H, TRP47H, TYR100H, TYR102H, TYR172L, TYR36L, TYR49L, TYR53L, TYR55L, TYR56H, TYR59H, TYR86L, TYR87L, TYR91H, TYR95H, TYR95L, VAL114L, VAL121H, VAL131L, VAL132L, VAL142H, VAL162L, VAL163H, VAL169H, VAL181H, VAL182H, VAL184H, VAL211H, VAL33L, VAL37H, VAL48H, VAL89H