3GGM

crystal structure of bt9727_2919 from bacillus thuringiensis subsp. northeast structural genomics target bur228b

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: A-C
  • Int. Res.: 80
  • Norm. En. per Res.: -4.8488
• 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	0.0	7.3755	-35.718	-28.3425	25	0	0	1644	0	6	8
A-C	-129.495	30.0135	-288.422	-387.9035	80	19	13	12415	0	22	36
A-D	-20.798	-0.3809	-134.574	-155.7529	70	4	9	6872	0	9	17
B-C	-13.1437	0.2953	-138.935	-151.7834	72	3	8	6896	1	9	17
B-D	-116.4832	37.7657	-270.135	-348.8525	82	21	13	11837	0	21	37
C-D	0.0	16.9627	-36.8798	-19.9171	28	1	0	1877	0	6	9

Interface residues

• A-B: ASN63A, ASN63B, ASP64A, ASP64B, GLU74A, HIS66A, HIS66B, ILE59B, ILE67A, ILE67B, ILE70A, ILE70B, LEU15A, LEU15B, LEU62A, LEU62B, LEU73A, LEU73B, PRO20B, SER65A, SER65B, THR13A, THR13B, VAL69A, VAL69B
• A-C: ALA26A, ALA26C, ALA58A, ALA58C, ARG55A, ARG55C, ARG57A, ARG57C, ARG71A, ARG71C, ASN63A, ASN63C, ASP29A, ASP29C, ASP4A, ASP52A, ASP52C, ASP64A, ASP64C, GLU74A, GLY10A, GLY10C, GLY30A, GLY30C, GLY61A, GLY61C, GLY72A, GLY72C, HIS66A, HIS66C, HIS68A, HIS68C, ILE12A, ILE12C, ILE25A, ILE25C, ILE27A, ILE27C, ILE32A, ILE32C, ILE51A, ILE51C, ILE59A, ILE59C, ILE67A, ILE67C, ILE70A, ILE70C, LEU31A, LEU31C, LEU53A, LEU53C, LEU62A, LEU62C, LEU73A, LEU73C, LEU7A, LEU7C, LYS11A, LYS11C, LYS49A, LYS54A, LYS54C, LYS56A, LYS56C, MET5A, MET5C, PRO60A, PRO60C, SER65A, SER65C, THR13A, THR13C, THR28A, THR28C, THR33A, THR33C, VAL22C, VAL69A, VAL69C
• A-D: ALA24D, ALA26A, ALA26D, ALA34A, ALA34D, ALA58A, ALA58D, ARG55A, ARG57A, ARG57D, ASN63A, ASN63D, ASP16A, ASP16D, ASP64A, ASP64D, GLN19A, GLN19D, GLU21A, GLU21D, GLY36A, GLY61A, GLY61D, HIS66A, HIS66D, ILE12A, ILE12D, ILE25A, ILE25D, ILE27A, ILE27D, ILE32A, ILE32D, ILE59A, ILE59D, ILE67A, ILE67D, LEU15A, LEU15D, LEU31A, LEU31D, LEU40A, LEU40D, LEU62A, LEU62D, LEU7D, LYS11A, LYS11D, LYS56A, LYS56D, PRO17A, PRO17D, PRO20A, PRO20D, PRO60A, PRO60D, SER18A, SER18D, SER65A, SER65D, THR13A, THR13D, THR14A, THR14D, THR33A, THR33D, VAL22A, VAL22D, VAL35A, VAL35D
• B-C: ALA24B, ALA24C, ALA26B, ALA26C, ALA34B, ALA34C, ALA58B, ALA58C, ARG55C, ARG57B, ARG57C, ASN63B, ASN63C, ASP16B, ASP16C, ASP64B, ASP64C, GLN19B, GLN19C, GLU21B, GLU21C, GLY30B, GLY36C, GLY61B, GLY61C, HIS66B, HIS66C, ILE12B, ILE12C, ILE25B, ILE25C, ILE27B, ILE27C, ILE32B, ILE32C, ILE59B, ILE59C, ILE67B, ILE67C, LEU15B, LEU15C, LEU31B, LEU31C, LEU40B, LEU40C, LEU62B, LEU62C, LEU7B, LYS11B, LYS11C, LYS56B, LYS56C, PRO17B, PRO17C, PRO20B, PRO20C, PRO60B, PRO60C, SER18B, SER18C, SER65B, SER65C, THR13B, THR13C, THR14B, THR14C, THR33B, THR33C, VAL22B, VAL22C, VAL35B, VAL35C
• B-D: ALA26B, ALA26D, ALA58B, ALA58D, ARG55B, ARG55D, ARG57B, ARG57D, ARG71B, ARG71D, ASN63B, ASN63D, ASP29B, ASP29D, ASP4B, ASP4D, ASP52B, ASP52D, ASP64B, ASP64D, GLU74D, GLY10B, GLY10D, GLY30B, GLY30D, GLY61B, GLY61D, GLY72B, GLY72D, HIS66B, HIS66D, HIS68B, HIS68D, ILE12B, ILE12D, ILE25B, ILE25D, ILE27B, ILE27D, ILE32B, ILE32D, ILE51B, ILE51D, ILE59B, ILE59D, ILE67B, ILE67D, ILE70B, ILE70D, LEU31B, LEU31D, LEU53B, LEU53D, LEU62B, LEU62D, LEU73B, LEU73D, LEU7B, LEU7D, LYS11B, LYS11D, LYS54B, LYS54D, LYS56B, LYS56D, MET5B, MET5D, PRO60B, PRO60D, SER65B, SER65D, THR13B, THR13D, THR14D, THR28B, THR28D, THR33B, VAL22B, VAL22D, VAL35D, VAL69B, VAL69D
• C-D: ARG57C, ASN63C, ASN63D, ASP64C, ASP64D, GLU21C, GLU74D, HIS66C, HIS66D, HIS68C, ILE67C, ILE67D, ILE70C, ILE70D, LEU15C, LEU15D, LEU62C, LEU62D, LEU73C, LEU73D, PRO20C, SER65C, SER65D, THR13C, THR13D, THR14C, VAL69C, VAL69D