2FPF

crystal structure of the ib1 sh3 dimer at low resolution

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: B-C
  • Int. Res.: 61
  • Norm. En. per Res.: -6.7623
• Hub Node: A(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-B	-4.0646	18.7515	-34.9327	-20.2458	37	7	0	2048	0	6	5
A-C	0.0	0.0	-12.2181	-12.2181	17	0	1	931	0	4	3
A-D	-23.2572	-134.7965	-256.429	-414.4827	64	13	6	8591	14	24	19
B-C	-26.3465	-137.6006	-248.553	-412.5001	61	7	5	8297	15	24	19
B-D	0.0	-5.1187	-6.2325	-11.3512	10	0	0	408	0	6	6
C-D	-11.6245	20.3313	-17.7559	-9.0491	37	6	0	1939	0	5	5

Interface residues

• A-B: ALA32A, ALA52A, ALA52B, ALA55A, ALA55B, ALA6B, ARG5A, ARG5B, ARG9B, ASP23B, GLN31A, GLN31B, GLU33A, GLU57A, GLU57B, HIS4A, HIS4B, ILE56A, ILE56B, ILE7A, ILE7B, PHE8A, PHE8B, THR3A, THR59A, THR59B, TYR35A, TYR35B, TYR37A, TYR37B, TYR53A, TYR53B, TYR54B, VAL22B, VAL28A, VAL58A, VAL58B
• A-C: ALA55A, ALA55C, ARG5A, ARG5C, ARG9C, GLU57A, GLU57C, ILE56A, ILE56C, ILE7A, ILE7C, PHE8A, PHE8C, TYR53A, TYR53C, VAL22A, VAL22C
• A-D: ALA32A, ALA32D, ALA52A, ALA52D, ALA55A, ALA55D, ARG13A, ARG13D, ARG9A, ARG9D, ASP16A, ASP16D, ASP34A, ASP34D, GLN31A, GLN31D, GLU15A, GLU15D, GLU17A, GLU17D, GLU19A, GLU19D, GLU21A, GLU21D, GLU33A, GLU33D, GLU38A, GLU38D, GLY48A, GLY48D, HIS14A, HIS14D, ILE7A, ILE7D, LEU20A, LEU20D, LEU30A, LEU30D, PHE10A, PHE10D, PHE50A, PHE50D, PHE8A, PHE8D, PRO12A, PRO12D, PRO51A, PRO51D, TRP36A, TRP36D, TYR35A, TYR35D, TYR37A, TYR37D, TYR53A, TYR53D, TYR54A, TYR54D, VAL11A, VAL11D, VAL22A, VAL22D, VAL49A, VAL49D
• B-C: ALA32B, ALA32C, ALA52B, ALA52C, ALA55B, ALA55C, ARG13B, ARG13C, ARG9B, ARG9C, ASP16B, ASP16C, ASP34B, ASP34C, GLN31B, GLN31C, GLU15B, GLU15C, GLU17B, GLU17C, GLU19C, GLU21C, GLU33B, GLU33C, GLU38B, GLU38C, GLY48B, GLY48C, HIS14B, HIS14C, ILE7B, ILE7C, LEU20C, LEU30B, LEU30C, PHE10B, PHE10C, PHE50B, PHE50C, PHE8B, PHE8C, PRO12B, PRO12C, PRO51B, PRO51C, TRP36B, TRP36C, TYR35B, TYR35C, TYR37B, TYR37C, TYR53B, TYR53C, TYR54B, TYR54C, VAL11B, VAL11C, VAL22B, VAL22C, VAL49B, VAL49C
• B-D: ARG9B, ARG9D, ASP23B, ASP23D, ILE7B, ILE7D, PHE8B, PHE8D, VAL22B, VAL22D
• C-D: ALA32C, ALA52C, ALA52D, ALA55C, ALA55D, ALA6D, ARG5C, ARG5D, ARG9D, ASP23D, GLN31C, GLN31D, GLU33C, GLU57C, GLU57D, HIS4C, HIS4D, ILE56C, ILE56D, ILE7C, ILE7D, PHE8C, PHE8D, THR3C, THR59C, THR59D, TYR35C, TYR35D, TYR37C, TYR37D, TYR53C, TYR53D, TYR54D, VAL22D, VAL28C, VAL58C, VAL58D