2FPE

conserved dimerization of the ib1 src-homology 3 domain

• Total interactions analyzed: 28
• Total true interactions: 15
• Strongest Interaction:
  • Chains: E-F
  • Int. Res.: 61
  • Norm. En. per Res.: -8.042
• Hub Node: A(4)

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	-37.0212	-133.2156	-283.06	-453.2968	61	23	8	9270	14	26	23
A-E	0.0	0.0	-0.668	-0.668	10	0	0	93	0	0	0
A-F	-27.2027	-32.2161	-95.5851	-155.0039	39	2	6	4150	4	19	18
A-G	-10.775	5.6699	-46.3849	-51.49	19	2	0	1356	0	11	20
B-D	0.0	0.0	-0.0022	-0.0022	2	0	0	1	0	1	1
B-E	-27.5812	-26.6902	-92.4622	-146.7336	36	5	6	3937	4	18	19
B-F	0.0	0.0	-0.0076	-0.0076	4	0	0	6	0	0	0
B-G	0.0	-4.1489	-31.9852	-36.1341	20	0	0	1211	0	15	16
C-D	-55.6532	-140.0969	-293.788	-489.5381	64	16	7	9078	15	26	23
C-G	0.0	0.0	-0.0068	-0.0068	4	0	0	5	0	0	0
C-H	-26.7736	-27.5995	-101.394	-155.7672	40	3	6	4062	4	21	18
D-G	-32.7619	-30.2663	-98.0647	-161.0929	35	3	6	4333	4	17	17
D-H	0.0	0.0	-0.7912	-0.7912	8	0	0	97	0	0	0
E-F	-55.0252	-140.1098	-295.426	-490.5609	61	18	8	9301	11	26	23
G-H	-63.4282	-102.3607	-274.612	-440.4009	60	13	6	8883	10	26	23

Interface residues

• A-B: ALA32A, ALA32B, ALA39A, ALA52A, ALA52B, ALA55A, ALA55B, ARG13A, ARG13B, ARG9A, ARG9B, ASP16A, ASP16B, ASP34A, ASP34B, GLN31A, GLN31B, GLU15A, GLU15B, GLU17A, GLU17B, GLU19A, GLU33A, GLU33B, GLU38A, GLU38B, GLY48A, GLY48B, HIS14A, HIS14B, ILE7A, ILE7B, LEU18B, LEU30A, LEU30B, PHE10A, PHE10B, PHE50A, PHE50B, PHE8A, PHE8B, PRO12A, PRO12B, PRO51A, PRO51B, TRP36A, TRP36B, TYR35A, TYR35B, TYR37A, TYR37B, TYR53A, TYR53B, TYR54A, TYR54B, VAL11A, VAL11B, VAL22A, VAL22B, VAL49A, VAL49B
• A-E: ILE56A, ILE56E, ILE7A, ILE7E, PHE8A, PHE8E, THR59A, TYR35E, TYR53A, TYR53E
• A-F: ALA55A, ALA55F, ALA6A, ALA6F, ARG43A, ARG43F, ARG5A, ARG5F, ARG9F, ASP23A, ASP23F, ASP24A, ASP24F, GLN2A, GLN2F, GLU21A, GLU21F, GLU57A, GLU57F, HIS4A, HIS4F, ILE56A, ILE56F, ILE7A, ILE7F, LYS60A, PHE8A, PHE8F, PRO25A, PRO25F, THR3A, THR59A, THR59F, TYR53A, TYR53F, VAL22A, VAL22F, VAL58A, VAL58F
• A-G: ALA46G, ARG13A, ARG43G, ARG47G, ASN41G, ASP16A, ASP34A, GLU15A, GLU17A, GLU19G, GLU1G, GLU38A, GLY45G, GLY48A, HIS14A, LEU18G, THR44G, TYR40G, VAL49A
• B-D: ARG47B, GLU1D
• B-E: ALA55B, ALA55E, ALA6B, ALA6E, ARG43E, ARG5B, ARG5E, ARG9B, ASP23B, ASP23E, ASP24B, ASP24E, GLN2B, GLN2E, GLU21E, GLU57B, GLU57E, HIS4B, HIS4E, ILE56B, ILE56E, ILE7B, ILE7E, PHE8B, PHE8E, PRO25B, PRO25E, THR3E, THR59B, TYR53B, TYR53E, TYR54B, VAL22B, VAL22E, VAL58B, VAL58E
• B-F: PHE8B, PHE8F, TYR53B, TYR53F
• B-G: ALA46G, ARG13B, ARG43G, ARG47G, ARG5G, ASN41G, ASP16B, ASP23G, ASP24G, GLN2G, GLU15B, GLU17B, GLU1G, GLU21G, GLY45G, HIS14B, PRO12B, PRO25G, THR44G, TYR40G
• C-D: ALA32C, ALA32D, ALA52C, ALA52D, ALA55C, ALA55D, ARG13C, ARG13D, ARG9C, ARG9D, ASP16C, ASP16D, ASP34C, ASP34D, GLN31C, GLN31D, GLU15C, GLU15D, GLU17C, GLU17D, GLU19C, GLU19D, GLU21D, GLU33C, GLU33D, GLU38C, GLU38D, GLY48C, GLY48D, HIS14C, HIS14D, ILE7C, ILE7D, LEU18D, LEU20C, LEU20D, LEU30C, LEU30D, PHE10C, PHE10D, PHE50C, PHE50D, PHE8C, PHE8D, PRO12C, PRO12D, PRO51C, PRO51D, TRP36C, TRP36D, TYR35C, TYR35D, TYR37C, TYR37D, TYR53C, TYR53D, TYR54C, TYR54D, VAL11C, VAL11D, VAL22C, VAL22D, VAL49C, VAL49D
• C-G: PHE8C, PHE8G, TYR53C, TYR53G
• C-H: ALA55C, ALA55H, ALA6C, ALA6H, ARG43H, ARG5C, ARG5H, ARG9C, ASP23C, ASP23H, ASP24C, ASP24H, GLN2C, GLN2H, GLU1H, GLU21C, GLU21H, GLU57C, GLU57H, HIS4C, HIS4H, ILE56C, ILE56H, ILE7C, ILE7H, LYS60C, LYS60H, PHE8C, PHE8H, PRO25C, PRO25H, THR3H, THR59C, THR59H, TYR53C, TYR53H, VAL22C, VAL22H, VAL58C, VAL58H
• D-G: ALA55D, ALA55G, ALA6D, ALA6G, ARG43D, ARG5D, ARG5G, ARG9G, ASP23D, ASP23G, ASP24D, ASP24G, GLN2D, GLN2G, GLU21D, GLU57D, GLU57G, HIS4D, HIS4G, ILE56D, ILE56G, ILE7D, ILE7G, LYS60G, PHE8D, PHE8G, PRO25D, THR3D, THR59G, TYR53D, TYR53G, VAL22D, VAL22G, VAL58D, VAL58G
• D-H: ILE56D, ILE56H, ILE7D, ILE7H, PHE8D, PHE8H, TYR53D, TYR53H
• E-F: ALA32E, ALA32F, ALA52E, ALA52F, ALA55E, ALA55F, ARG13E, ARG13F, ARG47F, ARG9E, ARG9F, ASP16E, ASP16F, ASP34E, ASP34F, GLN31E, GLN31F, GLU15E, GLU15F, GLU17E, GLU17F, GLU33E, GLU33F, GLU38E, GLU38F, GLY48E, GLY48F, HIS14E, HIS14F, ILE7E, ILE7F, LEU18E, LEU18F, LEU30E, LEU30F, PHE10E, PHE10F, PHE50E, PHE50F, PHE8E, PHE8F, PRO12E, PRO12F, PRO51E, PRO51F, TRP36E, TRP36F, TYR35E, TYR35F, TYR37E, TYR37F, TYR53E, TYR53F, TYR54E, TYR54F, VAL11E, VAL11F, VAL22E, VAL22F, VAL49E, VAL49F
• G-H: ALA32G, ALA32H, ALA52G, ALA52H, ALA55G, ALA55H, ARG13G, ARG13H, ARG9G, ARG9H, ASP16G, ASP16H, ASP34G, ASP34H, GLN31G, GLN31H, GLU15G, GLU15H, GLU17G, GLU17H, GLU33G, GLU33H, GLU38G, GLU38H, GLY48G, HIS14G, HIS14H, ILE7G, ILE7H, LEU18G, LEU18H, LEU20G, LEU30G, LEU30H, PHE10G, PHE10H, PHE50G, PHE50H, PHE8G, PHE8H, PRO12G, PRO12H, PRO51G, PRO51H, TRP36G, TRP36H, TYR35G, TYR35H, TYR37G, TYR37H, TYR53G, TYR53H, TYR54G, TYR54H, VAL11G, VAL11H, VAL22G, VAL22H, VAL49G, VAL49H