3PE9

structures of clostridium thermocellum cbha fibronectin(iii)-like modules

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: A-D
  • Int. Res.: 51
  • Norm. En. per Res.: -4.2576
• 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	-4.9579	-6.2532	-32.0067	-43.2177	39	0	0	1777	2	15	10
A-C	0.0	0.0	-0.0036	-0.0036	3	0	0	6	0	4	3
A-D	-38.3609	-41.5107	-137.267	-217.1386	51	5	0	4828	4	23	25
B-C	-26.5049	-39.4631	-134.59	-200.558	50	4	0	4688	4	24	25
B-D	0.0	28.6075	-14.8651	13.7424	13	0	0	478	0	10	8
C-D	0.0	28.4932	-17.3198	11.1734	41	0	1	1228	3	14	15

Interface residues

• A-B: ALA13B, ALA23B, ALA6B, ALA75A, ALA76A, ARG34A, ARG48A, ARG90B, ASN10B, ASP40A, ASP71A, ASP72A, ASP73A, ASP74A, GLU17B, GLU42A, GLU53B, GLY41A, ILE44A, ILE68A, LEU38A, LYS20B, LYS3B, LYS87B, LYS8B, PRO51B, PRO79A, PRO7B, SER77A, THR22B, THR24B, THR5B, THR78A, TYR14B, TYR70A, VAL11B, VAL12B, VAL39A, VAL43A
• A-C: ARG48A, ARG90C, GLU17C
• A-D: ALA50A, ALA50D, ALA58A, ALA89A, ARG48A, ARG48D, ASN16A, ASN16D, ASP47A, ASP47D, GLU17A, GLU17D, GLU42A, GLU42D, GLU49A, GLU49D, GLU53A, GLU53D, GLU55A, GLU55D, GLY15A, GLY45A, GLY45D, ILE21A, ILE21D, ILE44A, ILE44D, LEU19A, LEU19D, LYS20A, LYS20D, LYS57A, LYS57D, PHE18A, PHE18D, PHE37A, PHE37D, PRO51A, PRO51D, SER46A, SER46D, THR22A, THR22D, TRP56A, TRP56D, TYR52A, TYR52D, TYR54A, TYR54D, VAL59A, VAL59D
• B-C: ALA50B, ALA50C, ALA58B, ALA89B, ARG48B, ARG48C, ASN16B, ASN16C, ASP47B, ASP47C, GLU17B, GLU17C, GLU42B, GLU42C, GLU49B, GLU49C, GLU53B, GLU53C, GLU55B, GLU55C, GLY15B, GLY45B, GLY45C, ILE21B, ILE21C, ILE44B, ILE44C, LEU19B, LEU19C, LYS20B, LYS20C, LYS57B, LYS57C, PHE18B, PHE18C, PHE37B, PHE37C, PRO51B, PRO51C, SER46B, SER46C, THR22B, THR22C, TRP56B, TRP56C, TYR52B, TYR52C, TYR54B, TYR54C, VAL59B
• B-D: ARG34D, ARG48D, ARG90B, ASN16B, ASP47D, ASP72D, ASP74D, GLU17B, LYS57B, PHE18B, SER33D, SER46D, TYR14B
• C-D: ALA13C, ALA23C, ALA50C, ALA6C, ALA75D, ALA76D, ARG34D, ARG48D, ARG90C, ASN10C, ASP36D, ASP40D, ASP72D, ASP73D, ASP74D, GLU17C, GLU42D, GLU53C, GLU64D, GLY41D, ILE68D, LEU19C, LEU38D, LYS20C, LYS87C, LYS8C, PRO51C, PRO79D, SER77D, THR22C, THR24C, THR5C, THR78D, TYR14C, TYR52C, TYR70D, VAL11C, VAL12C, VAL39D, VAL43D, VAL59D