3CI7

crystal structure of a simplified bpti containing 20 alanines

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 39
  • Norm. En. per Res.: -2.3995
• 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	-20.0445	18.3305	-91.8681	-93.5821	39	3	6	3655	0	0	6
A-C	0.0	0.0	-46.2755	-46.2755	40	3	9	2612	0	1	0
A-D	0.0	0.0	-35.6493	-35.6493	37	0	13	2263	0	0	0
B-C	0.0	-1.136	-3.7757	-4.9117	19	0	3	626	0	5	1
B-D	0.0	0.0	-34.7325	-34.7325	35	0	6	2133	0	2	0
C-D	-7.731	17.2277	-95.1029	-85.6062	39	1	7	3691	0	0	6

Interface residues

• A-B: ALA11A, ALA11B, ALA16A, ALA16B, ALA30B, ALA32A, ALA32B, ARG17A, ARG17B, ARG20A, ARG20B, GLN31A, GLN31B, GLY12A, GLY12B, GLY14A, GLY14B, GLY36A, GLY36B, GLY37A, GLY37B, ILE18A, ILE18B, ILE19A, ILE19B, LYS15A, LYS15B, PHE22A, PHE22B, PHE33A, PHE33B, PRO13A, PRO13B, TYR21A, TYR21B, TYR35A, TYR35B, VAL34A, VAL34B
• A-C: ALA11A, ALA25A, ALA26A, ALA27A, ALA27C, ALA29A, ALA29C, ALA30C, ALA32A, ALA32C, ALA48C, ALA49C, ALA51C, ALA53C, ALA54C, ALA56C, ALA57C, ASN24A, ASN24C, ASN43A, ASP50C, CYS55C, GLN31A, GLN31C, GLU7A, GLY28C, ILE19C, LEU52C, LEU6A, PHE22A, PHE33A, PRO8A, PRO9A, SER47C, TYR10A, TYR21A, TYR21C, TYR23A, TYR23C, VAL34A
• A-D: ALA26A, ALA26D, ALA27A, ALA27D, ALA29A, ALA29D, ALA30A, ALA30D, ALA32A, ALA32D, ALA48A, ALA48D, ALA49A, ALA49D, ALA51A, ALA53A, ALA56A, ALA57A, ALA57D, ARG1A, ASN24A, ASN24D, ASP50A, ASP50D, GLN31A, GLN31D, GLY28A, GLY28D, ILE19D, LEU52A, LEU52D, SER47A, SER47D, TYR21A, TYR21D, TYR23A, TYR23D
• B-C: ALA16C, ALA46B, ALA46C, ALA49B, ALA49C, ARG17B, ARG17C, ARG20B, ARG20C, ASP50B, ASP50C, ILE18B, ILE18C, ILE19B, ILE19C, SER47B, SER47C, TYR21B, TYR21C
• B-D: ALA11D, ALA25D, ALA26D, ALA27B, ALA27D, ALA29B, ALA30B, ALA32B, ALA32D, ALA48B, ALA49B, ALA51B, ALA53B, ALA56B, ARG20D, ASN24D, ASN43D, ASP50B, GLN31B, GLN31D, GLU7D, GLY28B, LEU52B, LEU6D, PHE22D, PHE33D, PRO8D, PRO9D, SER47B, TYR10D, TYR21B, TYR21D, TYR23B, TYR23D, VAL34D
• C-D: ALA11C, ALA11D, ALA16C, ALA16D, ALA32C, ALA32D, ALA38C, ARG17C, ARG17D, ARG20C, ARG20D, GLN31C, GLN31D, GLY12C, GLY12D, GLY14C, GLY14D, GLY36C, GLY36D, GLY37C, GLY37D, ILE18C, ILE18D, ILE19C, ILE19D, LYS15C, LYS15D, PHE22C, PHE22D, PHE33C, PHE33D, PRO13C, PRO13D, TYR21C, TYR21D, TYR35C, TYR35D, VAL34C, VAL34D