3K9L

allosteric modulation of h-ras gtpase

• Total interactions analyzed: 3
• Total true interactions: 3
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 97
  • Norm. En. per Res.: -3.4623
• Hub Node: A(2)

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	-64.3827	-38.6894	-232.775	-335.847	97	6	0	8877	7	47	42
A-C	-8.9642	2.2043	-71.72	-78.48	49	3	3	3043	0	17	11
B-C	-9.5105	-8.3727	-39.1698	-57.053	37	1	1	2462	0	20	18

Interface residues

• A-B: ALA130A, ALA130B, ALA134A, ALA134B, ALA155A, ALA155B, ARG123A, ARG123B, ARG128A, ARG128B, ARG135A, ARG135B, ARG161A, ARG161B, ARG164A, ARG164B, ASP132A, ASP132B, ASP154A, ASP154B, ASP47A, ASP47B, CYS118A, CYS118B, CYS51A, CYS51B, GLN131A, GLN131B, GLN150A, GLN150B, GLN165A, GLN165B, GLU126A, GLU126B, GLU143A, GLU143B, GLU153A, GLU153B, GLU162A, GLU162B, GLU49A, GLU49B, GLY115A, GLY115B, GLY138A, GLY138B, GLY151A, GLY151B, GLY48A, GLY48B, HIS166A, HIS166B, ILE139A, ILE139B, ILE142A, ILE142B, ILE163A, ILE163B, ILE46A, ILE46B, ILE84A, ILE84B, LEU113A, LEU113B, MET111A, MET111B, MET1B, PRO140A, PRO140B, SER127A, SER127B, SER136A, SER136B, THR144A, THR144B, THR158A, THR158B, THR2A, THR2B, THR50A, THR50B, TYR137A, TYR137B, TYR141A, TYR141B, TYR157A, TYR157B, TYR4A, TYR4B, VAL112A, VAL112B, VAL125A, VAL152A, VAL160A, VAL160B, VAL45A, VAL45B
• A-C: ARG149A, ARG149C, ASN26A, ASN26C, ASP47A, ASP47C, CYS51A, CYS51C, GLN150C, GLN22A, GLN22C, GLN25A, GLN25C, GLN43A, GLN43C, GLU153A, GLU153C, GLU49A, GLU49C, GLY48A, GLY48C, HIS27A, HIS27C, ILE24A, ILE24C, ILE46A, ILE46C, LEU23A, LEU23C, LEU52A, LEU52C, LYS42A, LYS42C, MET1A, MET1C, PHE28A, PHE28C, THR148A, THR148C, THR50A, THR50C, TYR157A, TYR157C, VAL152A, VAL152C, VAL44A, VAL44C, VAL45A, VAL45C
• B-C: ALA121B, ALA122B, ARG123B, ARG149B, ARG41C, ASN26B, ASP119B, ASP30B, ASP38C, ASP54C, CYS118B, GLN150B, GLN22B, GLN25C, GLN43C, GLU143B, GLU37C, GLU3C, HIS27B, ILE24C, ILE84B, LEU120B, LEU52C, LEU53C, LYS117B, LYS147B, LYS42C, LYS5C, MET1C, PHE28B, SER127B, SER145B, SER39C, THR148B, THR2C, TYR40C, VAL44C