1TWJ

crystal structure of b. subtilis purs p21 crystal form

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 121
  • Norm. En. per Res.: -5.2741
• 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	-186.0384	-43.4423	-408.688	-638.1686	121	37	14	16519	2	46	47
A-C	0.0	0.0	-0.0287	-0.0287	8	0	0	15	0	4	5
A-D	-38.6818	51.7128	-120.826	-107.7949	47	7	2	4696	0	48	57
B-C	-16.2726	44.088	-120.234	-92.4186	43	7	3	4592	1	40	52
B-D	0.0	0.0	-0.0491	-0.0491	4	0	0	14	0	4	6
C-D	-190.918	-9.2898	-381.583	-581.7908	124	34	17	16314	0	47	44

Interface residues

• A-B: ALA21A, ALA21B, ALA25A, ALA25B, ALA67B, ARG38A, ARG38B, ARG52A, ARG52B, ARG75A, ARG75B, ASN32A, ASN32B, ASP16A, ASP16B, ASP36A, ASP36B, ASP51A, ASP51B, ASP53B, ASP73A, CYS62A, CYS62B, GLN23A, GLN23B, GLN35A, GLN35B, GLU12B, GLU33A, GLU33B, GLU44A, GLU44B, GLU48A, GLU48B, GLU60A, GLU60B, GLU63A, GLU63B, GLU77A, GLU77B, GLY19A, GLY19B, GLY40A, GLY40B, HIS24A, HIS24B, HIS27A, HIS27B, ILE39A, ILE39B, ILE47A, ILE47B, LEU10A, LEU10B, LEU26A, LEU26B, LEU45A, LEU45B, LEU54A, LEU54B, LEU57A, LEU57B, LEU65A, LEU65B, LEU66A, LEU66B, LYS3A, LYS3B, LYS41A, LYS41B, LYS49A, LYS49B, LYS59A, LYS59B, LYS5A, LYS5B, LYS64A, LYS64B, MET1A, MET1B, MET29A, MET29B, MET43A, MET43B, MET61A, MET61B, SER28A, SER28B, SER50A, SER50B, SER9A, SER9B, THR30A, THR30B, THR46A, THR46B, TYR2A, TYR2B, TYR31A, TYR31B, TYR42A, TYR42B, TYR74A, TYR7A, TYR7B, VAL22A, VAL22B, VAL34A, VAL34B, VAL37A, VAL37B, VAL4A, VAL4B, VAL56A, VAL56B, VAL58A, VAL58B, VAL6A, VAL6B, VAL8A, VAL8B
• A-C: ARG75A, ARG75C, GLU77A, GLU77C, GLU79C, LYS5A, LYS5C, TYR7C
• A-D: ARG52A, ARG52D, ARG75A, ARG75D, ASP51D, ASP53A, ASP53D, ASP55A, ASP55D, ASP73A, ASP73D, GLU77A, GLU77D, GLU79A, GLU79D, GLU80A, GLU80D, LEU54A, LEU54D, LEU57A, LEU57D, LYS3A, LYS3D, LYS49A, LYS49D, LYS59A, LYS59D, LYS5A, LYS5D, SER50D, TYR2A, TYR2D, TYR74A, TYR74D, TYR76A, TYR76D, TYR7A, TYR7D, VAL4A, VAL4D, VAL56A, VAL56D, VAL58A, VAL58D, VAL6A, VAL78A, VAL78D
• B-C: ARG52B, ARG52C, ARG75B, ARG75C, ASP51C, ASP53B, ASP53C, ASP55B, ASP55C, ASP73B, ASP73C, GLU77B, GLU77C, GLU79B, GLU79C, GLU80B, LEU54B, LEU54C, LEU57B, LEU57C, LYS3B, LYS3C, LYS59B, LYS59C, LYS5B, LYS5C, SER50C, TYR2B, TYR2C, TYR74B, TYR74C, TYR76B, TYR76C, TYR7B, TYR7C, VAL4B, VAL4C, VAL56B, VAL56C, VAL58B, VAL58C, VAL78B, VAL78C
• B-D: ARG75B, ARG75D, GLU77B, GLU77D
• C-D: ALA21C, ALA21D, ALA25C, ALA25D, ALA67C, ALA67D, ARG38C, ARG38D, ARG52C, ARG52D, ARG75C, ARG75D, ASN32C, ASN32D, ASP16C, ASP16D, ASP36C, ASP36D, ASP51C, ASP51D, ASP73C, ASP73D, CYS62C, CYS62D, GLN18D, GLN23C, GLN23D, GLN35C, GLN35D, GLU12C, GLU33C, GLU33D, GLU44C, GLU44D, GLU48C, GLU48D, GLU60C, GLU60D, GLU63C, GLU63D, GLU77C, GLU77D, GLY19C, GLY19D, GLY40C, GLY40D, HIS24C, HIS24D, HIS27C, HIS27D, ILE39C, ILE39D, ILE47C, ILE47D, LEU10C, LEU10D, LEU26C, LEU26D, LEU45C, LEU45D, LEU54C, LEU54D, LEU57C, LEU57D, LEU65C, LEU65D, LEU66C, LEU66D, LYS3C, LYS3D, LYS41C, LYS41D, LYS49C, LYS49D, LYS59C, LYS59D, LYS5C, LYS5D, LYS64C, LYS64D, MET1C, MET1D, MET29C, MET29D, MET43C, MET43D, MET61C, MET61D, SER28C, SER28D, SER50C, SER50D, SER9C, SER9D, THR30C, THR30D, THR46C, THR46D, TYR2C, TYR2D, TYR31C, TYR31D, TYR42C, TYR42D, TYR74C, TYR74D, TYR7C, TYR7D, VAL22C, VAL22D, VAL34C, VAL34D, VAL37C, VAL37D, VAL4C, VAL4D, VAL56C, VAL56D, VAL58C, VAL58D, VAL6C, VAL6D, VAL8C, VAL8D