2DRM

acanthamoeba myosin i sh3 domain bound to acan125

• Total interactions analyzed: 15
• Total true interactions: 9
• Strongest Interaction:
  • Chains: C-G
  • Int. Res.: 52
  • Norm. En. per Res.: -6.3649
• 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	0.0	3.8332	-31.6964	-27.8632	24	2	0	1175	0	5	7
A-C	-12.2916	1.3078	-68.1897	-79.1735	32	2	0	2419	0	8	8
A-E	-42.4657	-64.226	-228.27	-334.9616	56	8	0	7491	4	17	6
B-C	-6.821	13.9016	-6.9531	0.1275	13	1	0	464	0	7	8
B-E	-26.7299	-23.406	-141.948	-192.0839	34	5	0	4397	0	13	2
C-D	0.0	3.9604	-32.6619	-28.7015	24	2	0	1179	0	5	7
C-E	0.0	0.0	-1.5431	-1.5431	13	0	0	239	0	1	0
C-G	-44.6073	-63.7645	-222.601	-330.9728	52	6	0	7201	4	17	6
D-G	-25.524	-23.6238	-142.489	-191.6368	33	4	0	4379	0	13	2

Interface residues

• A-B: ALA15B, ALA37A, ARG48A, ASN54B, ASP12B, ASP14B, ASP19A, ASP35A, GLN16B, GLN33A, GLU20B, GLU41A, GLY18B, HIS32A, LYS34A, PRO36A, THR17B, THR22B, TRP39B, TRP40A, TRP50A, TYR11B, TYR13B, TYR55B
• A-C: ALA37A, ALA53A, ALA9C, ASN45C, ASN54A, ASP12C, ASP27C, ASP35A, GLN33A, GLU25C, GLU41A, GLU43C, GLY26C, GLY38A, GLY46C, HIS32A, ILE29C, LEU10A, LEU44C, LYS24C, LYS34A, LYS47C, PHE23C, PRO36A, PRO52A, THR22C, THR28C, TRP39A, TRP40A, TYR11A, TYR55A, VAL56A
• A-E: ALA11E, ALA14E, ALA15A, ALA2E, ALA37A, ALA53A, ARG18E, ARG48A, ARG9E, ASN54A, ASP12A, ASP14A, ASP19A, ASP35A, GLN16A, GLN33A, GLU20A, GLU25A, GLU41A, GLU43A, GLY10E, GLY18A, GLY2A, GLY38A, GLY42A, GLY49A, HIS32A, LEU10A, LEU21A, LYS12E, LYS24A, LYS3E, LYS47A, PHE23A, PRO13E, PRO15E, PRO16E, PRO17E, PRO36A, PRO3A, PRO4E, PRO52A, PRO6E, PRO7E, PRO8E, THR17A, THR19E, TRP39A, TRP40A, TRP50A, TYR11A, TYR13A, TYR55A, VAL51A, VAL56A, VAL5E
• B-C: ALA15B, ASP12B, ASP12C, ASP14B, ASP27C, GLN16B, GLN57C, GLU25C, GLY26C, LYS24B, LYS24C, THR17B, THR22B
• B-E: ALA11E, ALA14E, ALA15B, ALA37B, ALA53B, ARG18E, ASN54B, ASP12B, ASP14B, GLN16B, GLU20B, GLU25B, GLY10E, GLY18B, GLY38B, LEU10B, LYS12E, LYS24B, PHE23B, PRO13E, PRO15E, PRO16E, PRO17E, PRO52B, THR17B, THR19E, TRP39B, TRP40B, TRP50B, TYR11B, TYR13B, TYR55B, VAL51B, VAL56B
• C-D: ALA15D, ALA37C, ARG48C, ASN54D, ASP12D, ASP14D, ASP19C, ASP35C, GLN16D, GLN33C, GLU20D, GLU41C, GLY18D, HIS32C, LYS34C, PRO36C, THR17D, THR22D, TRP39D, TRP40C, TRP50C, TYR11D, TYR13D, TYR55D
• C-E: ARG18E, ASN45C, GLN6C, GLU43C, GLY46C, ILE30C, LEU44C, LYS24C, PRO4E, PRO6E, PRO7E, PRO8E, THR28C
• C-G: ALA11G, ALA14G, ALA15C, ALA2G, ALA37C, ALA53C, ARG18G, ARG48C, ARG9G, ASN54C, ASP12C, ASP14C, ASP19C, ASP35C, GLN16C, GLN33C, GLU20C, GLU25C, GLU41C, GLU43C, GLY10G, GLY18C, GLY38C, GLY42C, GLY49C, HIS32C, LEU10C, LEU21C, LYS12G, LYS24C, LYS3G, PHE23C, PRO13G, PRO15G, PRO16G, PRO17G, PRO36C, PRO4G, PRO52C, PRO6G, PRO7G, PRO8G, THR17C, TRP39C, TRP40C, TRP50C, TYR11C, TYR13C, TYR55C, VAL51C, VAL56C, VAL5G
• D-G: ALA11G, ALA14G, ALA15D, ALA37D, ALA53D, ARG18G, ASN54D, ASP12D, ASP14D, GLN16D, GLU20D, GLU25D, GLY10G, GLY18D, GLY38D, LEU10D, LYS12G, LYS24D, PHE23D, PRO13G, PRO15G, PRO16G, PRO17G, PRO52D, THR17D, TRP39D, TRP40D, TRP50D, TYR11D, TYR13D, TYR55D, VAL51D, VAL56D