3SO1

crystal structure of a double mutant t41s t82s of a betagamma- crystallin domain from clostridium beijerinckii

• Total interactions analyzed: 28
• Total true interactions: 10
• Strongest Interaction:
  • Chains: D-F
  • Int. Res.: 37
  • Norm. En. per Res.: -3.5882
• Hub Node: B(3)

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	0.0	4.4633	-11.3182	-6.8549	27	1	0	845	0	3	5
A-H	-42.6373	0.8177	-95.5176	-137.3372	39	6	0	3428	0	4	3
B-D	0.0	0.0	-8.6767	-8.6767	20	0	0	491	0	2	4
B-E	-14.7164	-3.2319	-54.7719	-72.7202	32	5	1	2377	0	6	2
B-G	-42.2702	0.8197	-93.6183	-135.0688	41	5	0	3477	0	4	3
C-E	-42.6708	0.9476	-93.5441	-135.2673	39	4	0	3385	0	4	3
D-F	-41.9754	0.9727	-91.7613	-132.764	37	4	0	3383	0	4	3
D-G	0.0	0.0	-0.0231	-0.0231	2	0	0	5	0	2	1
E-H	0.0	0.0	-37.0665	-37.0665	28	0	0	1833	0	1	6
F-G	0.0	2.4141	-49.592	-47.1779	32	6	1	2244	0	1	6

Interface residues

• A-C: ALA16A, ALA33A, ASN12C, ASP69C, GLU9A, GLY14A, GLY15A, GLY48C, LEU20A, LYS34A, LYS3C, LYS44A, LYS44C, PRO46C, PRO71C, SER17A, SER19A, SER47C, SER68C, THR32A, THR6A, TRP49C, TYR13A, TYR13C, TYR8A, TYR8C, VAL18A
• A-H: ALA33A, ASN24A, ASN56H, ASN58A, ASN58H, ASP52H, ASP57H, ASP76H, GLN21A, GLN29A, GLU55H, GLY23A, GLY61H, ILE86A, LEU20A, LEU30A, LYS63H, LYS85A, LYS85H, PHE59A, PHE59H, PRO22A, SER28A, SER82H, SER83A, SER83H, SER88A, THR26A, THR32A, THR60H, THR62H, THR65H, THR89A, TRP64H, TYR25A, TYR54H, TYR87A, VAL53H, VAL84A
• B-D: ALA16B, ALA33B, ASP69D, GLY15B, GLY48D, LYS34B, LYS3D, LYS44D, PRO46D, SER17B, SER19B, SER47D, THR32B, THR6B, TRP39B, TYR13D, TYR8B, TYR8D, VAL18B, VAL45D
• B-E: ALA33E, ALA4E, ASN12B, ASN75B, ASN78B, ASP10B, ASP69E, ASP76B, ASP79B, GLN21E, GLY74B, ILE11B, LEU20E, LYS34E, LYS3E, LYS44E, LYS80B, PRO46E, PRO71B, SER17E, SER19E, SER41B, SER47E, THR2E, THR6E, TRP49E, TRP72B, TYR25E, VAL18E, VAL45E, VAL5E, VAL73B
• B-G: ALA33B, ASN24B, ASN56G, ASN58B, ASN58G, ASP52G, ASP57B, ASP57G, ASP76G, GLN21B, GLN29B, GLU55G, GLY23B, GLY61G, ILE86B, LEU20B, LEU30B, LYS63G, LYS85B, LYS85G, PHE59B, PHE59G, PRO22B, SER28B, SER82G, SER83B, SER83G, SER88B, THR26B, THR32B, THR50G, THR60G, THR62G, THR65G, THR89B, TRP64G, TYR25B, TYR54G, TYR87B, VAL53G, VAL84B
• C-E: ALA33C, ASN24C, ASN56E, ASN58C, ASN58E, ASP52E, ASP57E, ASP76E, GLN21C, GLN29C, GLU55E, GLY23C, GLY61E, ILE86C, LEU20C, LEU30C, LYS63E, LYS85C, LYS85E, PHE59C, PHE59E, PRO22C, SER28C, SER82E, SER83C, SER83E, SER88C, THR26C, THR32C, THR60E, THR62E, THR65E, THR89C, TRP64E, TYR25C, TYR54E, TYR87C, VAL53E, VAL84C
• D-F: ALA33D, ASN24D, ASN56F, ASN58D, ASN58F, ASP52F, ASP57F, ASP76F, GLN21D, GLN29D, GLU55F, GLY23D, GLY61F, ILE86D, LEU20D, LYS63F, LYS85D, LYS85F, PHE59D, PHE59F, PRO22D, SER28D, SER82F, SER83D, SER88D, THR26D, THR32D, THR60F, THR62F, THR65F, THR89D, TRP64F, TYR25D, TYR54F, TYR87D, VAL53F, VAL84D
• D-G: ASP76G, LYS3D
• E-H: ALA77E, ASN12E, ASN12H, ASN75E, ASN75H, ASN78E, ASN78H, ASP10H, ASP69E, ASP76E, ASP79H, GLU9H, GLY14H, GLY74E, GLY74H, ILE11E, ILE11H, PRO71E, PRO71H, SER41H, SER42E, THR70E, TRP72E, TRP72H, TYR13E, TYR13H, TYR66E, VAL73E
• F-G: ALA77F, ASN12F, ASN12G, ASN75F, ASN75G, ASN78F, ASN78G, ASP10G, ASP69F, ASP76F, ASP79G, GLU9G, GLY14G, GLY15G, GLY74F, GLY74G, ILE11F, ILE11G, PRO71F, PRO71G, SER41G, SER42F, SER68F, THR70F, TRP64F, TRP72F, TRP72G, TYR13F, TYR13G, TYR66F, VAL73F, VAL73G