2OTW

crystal structure of fv polyglutamine complex

• Total interactions analyzed: 15
• Total true interactions: 12
• Strongest Interaction:
  • Chains: D-F
  • Int. Res.: 30
  • Norm. En. per Res.: -5.367
• 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	-10.4022	-24.9498	-266.796	-302.148	94	5	7	9787	2	9	10
A-C	0.0	0.0	-2.2021	-2.2021	16	0	0	229	0	2	1
A-D	0.0	0.0	-3.1566	-3.1566	5	0	0	95	0	0	0
A-E	-32.8417	0.0	-142.062	-174.9037	41	8	0	4334	0	0	0
A-F	0.0	0.0	-2.2067	-2.2067	2	0	0	78	0	0	0
B-C	0.0	6.6393	-0.2005	6.4388	2	0	0	23	0	2	1
B-D	-24.9562	-4.0977	-36.7913	-65.8452	33	2	0	1441	2	10	8
B-E	-33.0521	0.0	-129.754	-162.8061	31	10	0	4040	0	0	0
B-F	0.0	0.0	-2.3722	-2.3722	9	0	0	194	0	0	0
C-D	-6.2207	-20.5785	-258.528	-285.3271	94	5	7	9559	2	10	11
C-F	-53.5456	0.0	-127.464	-181.0096	42	18	0	4292	0	0	0
D-F	-41.5103	0.0	-119.499	-161.0093	30	15	0	3897	0	0	0

Interface residues

• A-B: ALA106B, ALA49B, ALA97B, ARG100B, ARG38B, ARG44B, ARG98B, ASP60A, ASP62B, ASP96A, CYS92A, CYS96B, GLN101A, GLN110B, GLN37A, GLN38A, GLN39A, GLN39B, GLN5B, GLN6A, GLU100A, GLU34A, GLU42B, GLU46B, GLU49A, GLU6B, GLY101B, GLY107A, GLY108A, GLY109A, GLY109B, GLY111B, GLY59A, GLY93A, GLY95A, GLY99B, ILE33A, ILE51B, ILE89A, ILE91A, ILE98A, LEU41A, LEU45B, LEU4A, LEU4B, LEU50A, LYS111A, LYS42A, LYS43B, LYS45A, LYS51A, LYS65B, LYS99A, MET48A, MET93B, PHE102A, PHE105B, PHE106A, PHE50B, PRO40A, PRO43A, PRO44A, PRO61B, SER52B, SER57A, SER57B, THR32A, THR58A, THR58B, THR97A, TRP104B, TRP108B, TRP35A, TRP36B, TRP47B, TYR102B, TYR104A, TYR107B, TYR33B, TYR35B, TYR36A, TYR46A, TYR59B, TYR60B, TYR90A, TYR95B, VAL103A, VAL103B, VAL105A, VAL37B, VAL3A, VAL47A, VAL48B, VAL94A
• A-C: ALA10A, ASP64C, GLN1A, HIS56C, LYS51C, MET0A, PHE66C, SER55C, SER57C, SER67C, SER8A, SER9A, THR23A, THR58C, THR5A, VAL3A
• A-D: GLN1A, GLY101D, MET0A, TYR102D, VAL3A
• A-E: ALA73A, ARG75A, ASP96A, GLN101A, GLN1E, GLN27A, GLN2E, GLN3E, GLN4E, GLN5E, GLN6E, GLN7E, GLN8E, GLN9E, GLU100A, GLU34A, GLU49A, GLY93A, GLY95A, HIS28A, ILE33A, ILE98A, LEU24A, LEU2A, LEU4A, LEU50A, LYS51A, LYS52A, LYS99A, MET0A, PHE102A, SER25A, SER26A, SER29A, THR30A, THR32A, THR97A, TYR104A, TYR31A, VAL103A, VAL94A
• A-F: GLN1A, GLN8F
• B-C: ASP60C, GLU42B
• B-D: ARG100D, ARG30D, ARG44B, ARG67B, ARG85B, ARG98D, ASN77D, ASP31D, ASP90B, GLN1D, GLU42B, GLU89B, GLY101D, GLY15B, GLY26D, LEU86B, LYS87B, PHE27D, PHE29D, PRO14B, PRO41B, SER117B, SER118B, SER25D, SER88B, THR28D, THR40B, THR63B, THR91B, TYR107D, TYR32D, VAL116B, VAL2D
• B-E: ALA106B, ARG100B, ARG30B, ARG98B, ASN53B, ASP31B, GLN10E, GLN4E, GLN5E, GLN6E, GLN7E, GLN8E, GLN9E, GLY101B, GLY11E, GLY54B, GLY99B, MET34B, PHE105B, PHE27B, PHE50B, SER52B, SER57B, THR28B, TRP104B, TYR102B, TYR32B, TYR33B, TYR35B, TYR59B, VAL103B
• B-F: ARG38B, ARG67B, ASP62B, GLN10F, GLU46B, GLU89B, GLY11F, LYS87B, THR63B
• C-D: ALA106D, ALA49D, ALA97D, ARG100D, ARG38D, ARG44D, ARG98D, ASP60C, ASP62D, ASP96C, CYS92C, CYS96D, GLN101C, GLN110D, GLN1C, GLN1D, GLN37C, GLN38C, GLN39C, GLN39D, GLN6C, GLU100C, GLU34C, GLU42D, GLU46D, GLU49C, GLU6D, GLY101D, GLY107C, GLY108C, GLY109C, GLY109D, GLY111D, GLY59C, GLY93C, GLY95C, GLY99D, ILE33C, ILE51D, ILE89C, ILE91C, ILE98C, LEU41C, LEU45D, LEU4D, LEU50C, LYS111C, LYS42C, LYS43D, LYS45C, LYS51C, LYS65D, LYS99C, MET48C, MET93D, PHE102C, PHE105D, PHE106C, PHE50D, PRO40C, PRO43C, PRO44C, PRO61D, SER52D, SER57C, SER57D, THR32C, THR58C, THR58D, THR97C, TRP104D, TRP108D, TRP35C, TRP36D, TRP47D, TYR102D, TYR104C, TYR107D, TYR33D, TYR35D, TYR36C, TYR46C, TYR59D, TYR60D, TYR90C, TYR95D, VAL103C, VAL103D, VAL105C, VAL2D, VAL37D, VAL47C, VAL48D, VAL94C
• C-F: ALA73C, ARG75C, ASP96C, GLN1C, GLN1F, GLN27C, GLN2F, GLN3F, GLN4F, GLN5F, GLN6F, GLN7F, GLN8F, GLN9F, GLU100C, GLU34C, GLU49C, GLY72C, GLY93C, GLY95C, HIS28C, ILE33C, ILE98C, LEU24C, LEU2C, LEU4C, LEU50C, LYS51C, LYS52C, LYS99C, MET0C, PHE102C, SER25C, SER26C, SER29C, THR30C, THR32C, THR97C, TYR104C, TYR31C, VAL103C, VAL94C
• D-F: ALA106D, ARG100D, ARG30D, ARG98D, ASN53D, ASP31D, GLN10F, GLN4F, GLN5F, GLN6F, GLN7F, GLN8F, GLN9F, GLY101D, GLY11F, GLY99D, MET34D, PHE105D, PHE27D, PHE50D, SER52D, SER57D, THR28D, TRP104D, TYR102D, TYR32D, TYR33D, TYR35D, TYR59D, VAL103D