2FPD

sad structure determination: crystal structure of the intrinsic dimerization sh3 domain of the ib1 scaffold protein

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: B-D
  • Int. Res.: 63
  • Norm. En. per Res.: -7.4194
• 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	-12.9824	6.7765	-78.4409	-84.6468	45	4	0	3317	0	11	8
A-C	-47.0227	-144.399	-291.553	-482.9746	66	17	7	9180	11	26	23
A-D	0.0	0.0	-32.896	-32.896	31	0	3	1876	0	5	6
B-C	0.0	-6.7307	-4.1457	-10.8764	10	0	0	389	0	6	6
B-D	-48.6694	-146.6133	-272.138	-467.4207	63	15	7	8886	9	26	22
C-D	-16.5236	8.6439	-82.6087	-90.4885	47	2	0	3686	0	11	9

Interface residues

• A-B: ALA32A, ALA32B, ALA52A, ALA52B, ALA55A, ALA55B, ALA6B, ARG5A, ARG5B, ARG9B, ASP23B, GLN31A, GLN31B, GLU29A, GLU33A, GLU57A, GLU57B, HIS4A, HIS4B, ILE56A, ILE56B, ILE7A, ILE7B, LEU30A, LYS60A, LYS60B, PHE50B, PHE8A, PHE8B, PRO51B, THR59A, THR59B, TRP36B, TYR35A, TYR35B, TYR37A, TYR37B, TYR53A, TYR53B, TYR54B, VAL22B, VAL28A, VAL28B, VAL58A, VAL58B
• A-C: ALA32A, ALA32C, ALA52A, ALA52C, ALA55A, ALA55C, ARG13A, ARG13C, ARG9A, ARG9C, ASP16A, ASP16C, ASP34A, ASP34C, GLN31A, GLN31C, GLU15A, GLU15C, GLU17A, GLU17C, GLU19C, GLU21A, GLU21C, GLU33A, GLU33C, GLU38A, GLU38C, GLY48A, GLY48C, HIS14A, HIS14C, ILE56C, ILE7A, ILE7C, LEU18A, LEU18C, LEU20A, LEU20C, LEU30A, LEU30C, PHE10A, PHE10C, PHE50A, PHE50C, PHE8A, PHE8C, PRO12A, PRO12C, PRO51A, PRO51C, TRP36A, TRP36C, TYR35A, TYR35C, TYR37A, TYR37C, TYR53A, TYR53C, TYR54A, TYR54C, VAL11A, VAL11C, VAL22A, VAL22C, VAL49A, VAL49C
• A-D: ALA55A, ALA55D, ALA6A, ALA6D, ARG5A, ARG5D, ARG9A, ARG9D, ASP23A, ASP23D, GLU57A, GLU57D, HIS4A, HIS4D, ILE56A, ILE56D, ILE7A, ILE7D, LYS60A, LYS60D, PHE8A, PHE8D, THR59D, TYR53A, TYR53D, TYR54A, TYR54D, VAL22A, VAL22D, VAL58A, VAL58D
• B-C: ARG9B, ARG9C, ASP23B, ASP23C, ILE7B, ILE7C, PHE8B, PHE8C, VAL22B, VAL22C
• B-D: ALA32B, ALA32D, ALA52B, ALA52D, ALA55B, ALA55D, ARG13B, ARG13D, ARG9B, ARG9D, ASP16B, ASP16D, ASP34B, ASP34D, GLN31B, GLU15B, GLU15D, GLU17B, GLU17D, GLU19B, GLU19D, GLU33B, GLU33D, GLU38B, GLU38D, GLY48B, GLY48D, HIS14B, HIS14D, ILE56B, ILE56D, ILE7B, ILE7D, LEU18B, LEU18D, LEU20B, LEU30B, PHE10B, PHE10D, PHE50B, PHE50D, PHE8B, PHE8D, PRO12B, PRO12D, PRO51B, PRO51D, TRP36B, TRP36D, TYR35B, TYR35D, TYR37B, TYR37D, TYR53B, TYR53D, TYR54B, TYR54D, VAL11B, VAL11D, VAL22B, VAL22D, VAL49B, VAL49D
• C-D: ALA32D, ALA52C, ALA52D, ALA55C, ALA55D, ALA6C, ARG5C, ARG9C, ASP23C, ASP34D, GLN2C, GLN31C, GLN31D, GLU29D, GLU33D, GLU57C, GLU57D, GLY-1D, HIS4C, HIS4D, ILE56C, ILE56D, ILE7C, ILE7D, LEU30D, LYS60C, LYS60D, PHE50C, PHE8C, PHE8D, PRO51C, THR3D, THR59C, THR59D, TRP36C, TYR35C, TYR35D, TYR37C, TYR37D, TYR53C, TYR53D, TYR54C, VAL22C, VAL28C, VAL28D, VAL58C, VAL58D