2GT2

structure of the e. coli gdp-mannose mannosyl hydrolase

• Total interactions analyzed: 6
• Total true interactions: 5
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 121
  • Norm. En. per Res.: -4.1065
• 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	-72.6243	-42.0305	-382.226	-496.8808	121	15	11	16053	2	32	24
A-C	0.0	0.049	-19.7756	-19.7266	23	0	1	1167	1	10	8
A-D	-31.2557	-56.2173	-63.9399	-151.4129	44	4	1	2651	3	22	13
B-D	-12.0237	-45.7246	-49.3807	-107.129	39	2	1	1947	5	18	18
C-D	-68.2587	-30.3744	-381.006	-479.6392	123	18	11	16257	0	32	23

Interface residues

• A-B: ALA10A, ALA10B, ALA61A, ALA61B, ALA62A, ALA62B, ARG14A, ARG14B, ARG52A, ARG52B, ARG5A, ARG5B, ASN93A, ASN93B, ASP56A, ASP56B, ASP8A, ASP8B, ASP91A, ASP91B, ASP92A, ASP92B, GLN54A, GLN54B, GLN81A, GLN81B, GLN87A, GLN87B, GLU57A, GLU57B, GLU60A, GLU60B, GLU7A, GLU7B, GLY107A, GLY107B, GLY156A, GLY156B, GLY159A, GLY159B, GLY80B, GLY84A, GLY84B, HIS102A, HIS102B, HIS88A, HIS88B, ILE77A, ILE77B, LEU106A, LEU106B, LEU160A, LEU160B, LEU18A, LEU18B, LEU21A, LEU21B, LEU4A, LEU59A, LEU59B, LYS55A, LYS55B, PHE108A, PHE108B, PHE3A, PHE63A, PHE63B, PHE82A, PHE82B, PHE89A, PHE89B, PHE99A, PHE99B, PHE9A, PHE9B, PRO158A, PRO158B, PRO17A, PRO17B, SER15A, SER15B, SER20A, SER20B, THR100A, THR100B, THR101A, THR101B, THR11A, THR11B, THR155A, THR155B, THR16A, THR16B, THR58A, THR58B, THR78A, THR78B, TRP86A, TRP86B, TYR103A, TYR103B, TYR83A, TYR83B, TYR90A, TYR90B, VAL104A, VAL104B, VAL105A, VAL105B, VAL12A, VAL12B, VAL13A, VAL13B, VAL157A, VAL157B, VAL19A, VAL19B, VAL53A, VAL53B, VAL85A, VAL85B
• A-C: ALA137A, ALA143A, ALA61C, ARG146A, ARG5C, ASN140A, ASP133A, ASP139A, ASP56C, ASP8C, GLU152A, GLU57C, LEU135A, LEU136A, LEU150A, LEU4C, LYS153A, LYS55C, MET2C, PHE3C, SER138A, THR155A, THR58C
• A-D: ALA143A, ALA147A, ALA42A, ARG146A, ARG14D, ARG40D, ASN140A, ASN144A, ASN93D, ASP139A, ASP91A, ASP91D, ASP92A, ASP92D, ASP98D, GLN43A, GLN43D, GLN87A, GLU152A, GLY96D, HIS102D, HIS142A, HIS88A, LEU150A, LYS153A, PHE47A, PHE89A, PHE89D, PHE94D, PHE99A, PHE99D, PRO41A, SER138A, SER95D, THR100A, THR100D, THR101A, THR101D, THR97D, TRP86A, TYR45A, TYR90A, TYR90D, VAL141A
• B-D: ALA134D, ALA137D, ALA143D, ALA42D, ALA61B, ALA62B, ALA69B, ARG146D, ARG40D, ARG65B, ARG74B, ASN140D, ASP133D, ASP139D, ASP56B, ASP91D, GLN43D, GLN54B, GLU152D, GLU57B, GLU60B, GLU64B, HIS142D, ILE77B, LEU135D, LEU136D, LEU150D, LEU66B, LEU75B, LYS153D, MET68B, PRO76B, SER138D, THR58B, THR78B, THR97D, TYR45D, TYR90D, VAL141D
• C-D: ALA10C, ALA10D, ALA61C, ALA61D, ALA62C, ALA62D, ARG14C, ARG14D, ARG52C, ARG52D, ARG5C, ARG5D, ASN93C, ASN93D, ASP56C, ASP56D, ASP8C, ASP8D, ASP91C, ASP91D, ASP92C, ASP92D, GLN54C, GLN54D, GLN81C, GLN81D, GLN87C, GLN87D, GLU57C, GLU57D, GLU60C, GLU60D, GLU7C, GLU7D, GLY107C, GLY107D, GLY156C, GLY156D, GLY159C, GLY159D, GLY80D, GLY84C, GLY84D, HIS102C, HIS102D, HIS88C, HIS88D, ILE77C, ILE77D, LEU106C, LEU106D, LEU160C, LEU160D, LEU18C, LEU18D, LEU21C, LEU21D, LEU4C, LEU4D, LEU59C, LEU59D, LYS55C, LYS55D, MET2C, PHE108C, PHE108D, PHE3C, PHE63C, PHE63D, PHE82C, PHE82D, PHE89C, PHE89D, PHE99C, PHE99D, PHE9C, PHE9D, PRO158C, PRO158D, PRO17C, PRO17D, SER15C, SER15D, SER20C, SER20D, THR100C, THR100D, THR101C, THR101D, THR11C, THR11D, THR155C, THR155D, THR16C, THR16D, THR58C, THR58D, THR78C, THR78D, TRP86C, TRP86D, TYR103C, TYR103D, TYR83C, TYR83D, TYR90C, TYR90D, VAL104C, VAL104D, VAL105C, VAL105D, VAL12C, VAL12D, VAL13C, VAL13D, VAL157C, VAL157D, VAL19C, VAL19D, VAL53C, VAL53D, VAL85C, VAL85D