3SO0

crystal structure of a mutant t41s of a betagamma-crystallin domain from clostridium beijerinckii

• Total interactions analyzed: 28
• Total true interactions: 8
• Strongest Interaction:
  • Chains: E-H
  • Int. Res.: 34
  • Norm. En. per Res.: -3.8852
• Hub Node: A(2)

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-C	-41.8011	0.8168	-105.744	-146.7283	40	4	0	3779	0	4	4
A-E	0.0	14.8555	-54.9219	-40.0664	37	4	1	2560	0	4	1
B-D	-42.7526	0.8881	-97.5137	-139.3782	39	5	0	3595	0	4	3
B-F	0.0	11.4324	-49.9115	-38.4791	35	4	1	2477	0	4	2
C-H	0.0	16.5771	-50.7571	-34.18	34	6	1	2299	0	1	1
D-G	0.0	4.2244	-65.4032	-61.1788	42	2	1	3040	1	6	2
E-H	-36.6161	0.9009	-96.3807	-132.0959	34	5	0	3457	0	3	2
F-G	-39.051	0.0	-101.675	-140.726	41	6	0	3742	0	5	3

Interface residues

• A-C: ALA33A, ALA77C, ASN24A, ASN56C, ASN58A, ASN58C, ASP52C, ASP57C, ASP76C, GLN21A, GLN29A, GLU55C, GLY23A, GLY61C, ILE86A, LEU20A, LEU30A, LYS63C, LYS80C, LYS85A, LYS85C, PHE59A, PHE59C, PRO22A, SER83A, SER83C, SER88A, THR26A, THR32A, THR50C, THR60C, THR62C, THR65C, TRP64C, TYR25A, TYR54C, TYR87A, TYR87C, VAL53C, VAL84A
• A-E: ALA33A, ASN31A, ASN31E, ASN37A, ASN37E, ASN56A, ASN56E, ASN58A, ASN58E, ASP38A, ASP38E, ASP57A, ASP57E, GLN29A, GLN29E, GLU55A, GLU55E, ILE35A, ILE35E, LEU27A, LEU27E, LEU30A, LEU30E, LYS34A, LYS34E, PRO36A, PRO36E, SER28A, SER28E, SER83A, SER83E, THR26A, THR26E, THR32A, THR32E, THR82A, THR82E
• B-D: ALA33B, ASN24B, ASN56D, ASN58B, ASN58D, ASP52D, ASP57D, ASP76D, GLN21B, GLN29B, GLU55D, GLY23B, GLY61D, ILE86B, LEU20B, LEU30B, LYS63D, LYS80D, LYS85B, LYS85D, PHE59B, PHE59D, PRO22B, SER83B, SER88B, THR26B, THR2B, THR32B, THR60D, THR62D, THR65D, THR82D, TRP64D, TYR25B, TYR54D, TYR87B, TYR87D, VAL53D, VAL84B
• B-F: ALA33B, ASN31B, ASN31F, ASN37B, ASN37F, ASN56B, ASN56F, ASN58B, ASN58F, ASP38B, ASP38F, ASP57B, ASP57F, GLN29B, GLN29F, GLU55B, GLU55F, ILE35B, ILE35F, LEU27B, LEU27F, LEU30B, LEU30F, LYS34B, PRO36B, PRO36F, SER28B, SER28F, SER83F, THR26B, THR26F, THR32B, THR32F, THR82B, THR82F
• C-H: ASN31C, ASN31H, ASN37C, ASN56C, ASN56H, ASN58C, ASN58H, ASP38C, ASP38H, ASP57C, ASP57H, GLN29C, GLN29H, GLU55C, GLU55H, ILE35C, LEU27C, LEU27H, LEU30C, LEU30H, LYS34C, MET81C, MET81H, PRO36C, SER28C, SER28H, SER83C, SER83H, THR26C, THR26H, THR32C, THR82C, THR82H, TRP39H
• D-G: ALA33D, ALA33G, ASN31D, ASN31G, ASN37D, ASN37G, ASN56D, ASN56G, ASN58D, ASN58G, ASP38D, ASP38G, ASP57D, ASP57G, ASP79G, GLN29D, GLN29G, GLU55D, GLU55G, ILE35D, ILE35G, LEU27D, LEU27G, LEU30D, LEU30G, LYS34D, LYS34G, LYS80G, MET81G, PRO36D, PRO36G, SER28D, SER28G, SER83D, SER83G, THR26D, THR26G, THR32D, THR32G, THR60G, THR82D, THR82G
• E-H: ALA77E, ASN24H, ASN56E, ASN58E, ASN58H, ASP52E, ASP57E, ASP76E, GLN21H, GLN29H, GLU55E, GLY23H, GLY61E, ILE86H, LEU20H, LYS63E, LYS80E, LYS85E, LYS85H, PHE59E, PHE59H, PRO22H, SER28H, SER88H, THR26H, THR60E, THR62E, THR65E, TRP64E, TYR25H, TYR54E, TYR87H, VAL53E, VAL84H
• F-G: ALA33G, ALA77F, ASN24G, ASN56F, ASN58F, ASN58G, ASP52F, ASP57F, ASP76F, GLN21G, GLN29G, GLU55F, GLY23G, GLY61F, ILE86G, LEU20G, LEU30G, LYS63F, LYS85F, LYS85G, PHE59F, PHE59G, PRO22G, SER28G, SER83G, SER88G, THR26G, THR32G, THR50F, THR60F, THR62F, THR65F, THR89G, TRP49G, TRP64F, TYR25G, TYR54F, TYR87F, TYR87G, VAL53F, VAL84G