3GFT

human k-ras in complex with a gtp analogue

• Total interactions analyzed: 15
• Total true interactions: 12
• Strongest Interaction:
  • Chains: D-F
  • Int. Res.: 41
  • Norm. En. per Res.: -4.396
• 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	-14.2707	-29.3488	-67.3925	-111.012	46	5	0	2976	3	26	20
A-C	-13.4036	-46.6835	-107.971	-168.0581	50	6	0	4202	3	8	9
A-D	-10.7467	-21.795	-66.3607	-98.9024	45	2	0	2778	2	26	19
A-E	-28.8959	12.4656	-47.4172	-63.8476	27	4	0	1728	0	2	6
B-D	-15.9666	-26.9202	-60.9591	-103.846	44	3	0	2770	3	28	19
B-E	-22.2995	-29.4688	-138.257	-190.0253	54	4	0	5201	2	8	9
B-F	-26.0208	28.7321	-82.7138	-80.0025	31	5	0	2486	0	2	6
C-D	-28.7084	0.0	-42.56	-71.2684	29	2	0	1488	0	2	6
C-E	-9.3889	-21.4229	-58.1172	-88.929	45	4	0	2785	2	26	19
C-F	-8.9677	-21.6358	-62.0232	-92.6267	45	2	0	2669	4	26	19
D-F	-23.9715	-59.652	-96.6128	-180.2362	41	6	0	3898	4	8	9
E-F	-14.4221	-17.3058	-59.8536	-91.5815	48	2	0	2813	2	25	19

Interface residues

• A-B: ALA146B, ALA155A, ARG123A, ARG135A, ARG149A, ARG149B, ARG161A, ARG164A, ASN26B, ASP119B, ASP153A, ASP154A, ASP30B, ASP47A, CYS118A, GLN131A, GLN150A, GLN150B, GLN22B, GLN25B, GLU143A, GLU31B, GLY151A, GLY48A, HIS27B, ILE142A, ILE21B, ILE24B, ILE46A, LEU23A, LYS147B, PHE141A, PHE28B, PRO140A, SER145A, SER145B, THR127A, THR144A, THR148A, THR148B, THR158A, TYR157A, VAL112A, VAL152A, VAL29B, VAL45A
• A-C: ARG41A, ARG41C, ASP33A, ASP38A, ASP54A, ASP54C, ASP57A, CYS51A, CYS51C, GLN-1C, GLN25A, GLN43A, GLN43C, GLU31A, GLU37A, GLU3A, GLU3C, GLY0C, HIS27A, ILE21A, ILE24A, ILE24C, ILE55A, LEU52A, LEU52C, LEU53A, LEU53C, LEU56A, LYS42A, LYS42C, LYS5A, LYS5C, MET1A, MET1C, PHE-2C, SER39A, THR20A, THR2A, THR2C, THR50A, THR50C, TYR-3C, TYR40A, TYR40C, TYR4C, VAL29A, VAL44A, VAL44C, VAL45A, VAL45C
• A-D: ALA146A, ALA155D, ARG123D, ARG135D, ARG149A, ARG149D, ARG161D, ARG164D, ASN26A, ASP119A, ASP153D, ASP154D, ASP30A, ASP47D, CYS118D, GLN131D, GLN150A, GLN150D, GLN22A, GLN25A, GLU143D, GLU31A, GLY151D, GLY48D, HIS27A, ILE142D, ILE21A, ILE24A, ILE46D, LYS147A, PHE141D, PHE28A, PRO140D, SER145A, SER145D, THR127D, THR144D, THR148A, THR148D, THR158D, TYR157D, VAL112D, VAL152D, VAL29A, VAL45D
• A-E: ARG161A, ARG164A, ARG164E, ASP47A, ASP47E, CYS51A, CYS51E, GLN-1E, GLN43A, GLN43E, GLU49A, GLU49E, GLY0E, GLY48A, GLY48E, ILE46A, ILE46E, MET1A, MET1E, PHE-2E, THR2A, THR2E, THR50A, THR50E, VAL44A, VAL45A, VAL45E
• B-D: ALA146D, ALA155B, ARG123B, ARG149B, ARG149D, ARG161B, ASN26D, ASP119B, ASP119D, ASP153B, ASP154B, ASP30D, ASP47B, CYS118B, GLN131B, GLN150B, GLN150D, GLN22D, GLN25D, GLU143B, GLU31D, GLY151B, GLY48B, HIS27D, ILE142B, ILE21D, ILE24D, ILE46B, LYS147D, PHE141B, PHE28D, PRO140B, SER145B, SER145D, THR127B, THR144B, THR148B, THR148D, THR158B, TYR157B, VAL112B, VAL152B, VAL29D, VAL45B
• B-E: ARG41B, ARG41E, ASN26E, ASP38B, ASP38E, ASP54B, ASP57B, ASP57E, CYS51B, GLN-1B, GLN-1E, GLN25B, GLN25E, GLN43B, GLN43E, GLU37B, GLU37E, GLU3B, GLU3E, GLY0B, GLY0E, ILE21B, ILE21E, ILE24B, ILE24E, ILE55B, ILE55E, LEU52B, LEU52E, LEU53B, LEU53E, LYS42B, LYS42E, LYS5B, MET1B, MET1E, PHE-2B, PHE-2E, SER39B, SER39E, THR20B, THR20E, THR2B, THR2E, THR35B, THR35E, THR50B, THR50E, TYR40B, TYR40E, TYR4B, VAL44B, VAL44E, VAL45B
• B-F: ARG161B, ARG161F, ARG164B, ARG164F, ASP47B, ASP47F, CYS51B, CYS51F, GLN-1B, GLN-1F, GLN43B, GLN43F, GLU49B, GLU49F, GLY0B, GLY0F, GLY48B, GLY48F, ILE46B, ILE46F, MET1B, MET1F, PHE-2B, PHE-2F, THR2B, THR2F, THR50B, THR50F, VAL44B, VAL45B, VAL45F
• C-D: ARG161D, ARG164C, ARG164D, ASP47C, ASP47D, CYS51C, CYS51D, GLN-1C, GLN43C, GLN43D, GLU49C, GLU49D, GLY0C, GLY48C, GLY48D, ILE46C, ILE46D, LYS165D, MET1C, MET1D, PHE-2C, THR2C, THR2D, THR50C, THR50D, TYR-3C, VAL44D, VAL45C, VAL45D
• C-E: ALA146C, ALA155E, ARG123E, ARG135E, ARG149C, ARG149E, ARG161E, ASN26C, ASP119C, ASP119E, ASP153E, ASP154E, ASP30C, ASP47E, CYS118E, GLN131E, GLN150C, GLN150E, GLN22C, GLN25C, GLU143E, GLU31C, GLY151E, GLY48E, HIS27C, ILE142E, ILE21C, ILE24C, ILE46E, LEU23E, LYS147C, PHE141E, PHE28C, PRO140E, SER145C, SER145E, THR127E, THR144E, THR148C, THR148E, THR158E, TYR157E, VAL152E, VAL29C, VAL45E
• C-F: ALA146F, ALA155C, ARG123C, ARG135C, ARG149C, ARG149F, ARG161C, ASN26F, ASP119C, ASP119F, ASP153C, ASP154C, ASP30F, ASP47C, CYS118C, GLN131C, GLN150C, GLN150F, GLN22F, GLN25F, GLU143C, GLU31F, GLY151C, GLY48C, HIS27F, ILE142C, ILE21F, ILE24F, ILE46C, LYS147F, PHE141C, PHE28F, PRO140C, SER145C, SER145F, THR127C, THR144C, THR148C, THR148F, THR158C, TYR157C, VAL112C, VAL152C, VAL29F, VAL45C
• D-F: ARG41D, ARG41F, ASP38D, ASP54D, ASP54F, ASP57D, CYS51F, GLN-1F, GLN25D, GLN43D, GLN43F, GLU3D, GLU3F, GLY0F, ILE21D, ILE24D, ILE24F, ILE55D, LEU52D, LEU52F, LEU53D, LEU53F, LYS42D, LYS42F, LYS5D, MET1D, MET1F, PHE-2F, SER39D, THR20D, THR2D, THR2F, THR50D, THR50F, TYR40D, TYR40F, TYR4D, TYR4F, VAL44D, VAL44F, VAL45F
• E-F: ALA146E, ALA155F, ARG123F, ARG149E, ARG149F, ARG161F, ARG164F, ASN26E, ASP119E, ASP119F, ASP153F, ASP154F, ASP30E, ASP47F, CYS118F, GLN131F, GLN150E, GLN150F, GLN22E, GLN25E, GLU143F, GLU31E, GLY151F, GLY48F, HIS27E, ILE142F, ILE21E, ILE24E, ILE46F, LEU23F, LYS128F, LYS147E, PHE141F, PHE156F, PHE28E, PRO140F, SER145E, SER145F, THR127F, THR144F, THR148E, THR148F, THR158F, TYR157F, VAL112F, VAL152F, VAL29E, VAL45F