3MMW

crystal structure of endoglucanase cel5a from the hyperthermophilic thermotoga maritima

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: B-D
  • Int. Res.: 12
  • Norm. En. per Res.: -2.5048
• 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	-54.0261	-4.4121	-310.179	-368.6172	148	8	1	12120	5	78	65
A-C	0.0	0.0	-29.7618	-29.7618	16	0	1	934	0	0	3
A-D	-2.7857	12.5587	-41.6065	-31.8335	42	1	0	1966	1	31	25
B-C	-2.3388	12.856	-45.6343	-35.1171	40	1	0	2093	1	31	27
B-D	0.0	0.0	-30.057	-30.057	12	0	1	793	0	0	1
C-D	-68.4071	54.7082	-318.58	-332.2788	144	17	1	11971	8	79	66

Interface residues

• A-B: ALA208A, ALA208B, ALA24A, ALA24B, ALA60A, ALA60B, ALA62A, ALA62B, ARG110A, ARG110B, ARG258A, ARG258B, ARG299A, ARG299B, ARG55A, ARG55B, ARG71A, ARG71B, ASN102A, ASN102B, ASN140A, ASN140B, ASN20A, ASN20B, ASN26A, ASN26B, ASP103A, ASP103B, ASP296A, ASP296B, ASP29A, ASP29B, CYS289A, CYS289B, GLU105A, GLU105B, GLU106A, GLU106B, GLU109A, GLU109B, GLU209A, GLU209B, GLU212A, GLU212B, GLU215A, GLU215B, GLU27A, GLU27B, GLU287A, GLU287B, GLU98A, GLU98B, GLU99A, GLU99B, GLY139A, GLY139B, GLY207A, GLY207B, GLY213A, GLY213B, GLY28A, GLY28B, GLY291A, GLY291B, GLY293A, GLY31A, GLY31B, HIS107A, HIS107B, HIS138A, HIS138B, HIS59A, HIS59B, HIS96A, HIS96B, ILE34A, ILE34B, LEU100A, LEU100B, LEU141A, LEU218A, LEU218B, LEU298A, LEU298B, LYS108A, LYS108B, LYS216A, LYS216B, LYS259A, LYS259B, LYS300B, LYS35A, LYS35B, LYS67A, LYS67B, MET101A, MET101B, MET69A, MET69B, PHE292A, PHE38A, PHE38B, PHE63A, PHE63B, PHE72A, PHE72B, PRO104A, PRO104B, PRO25A, PRO25B, PRO64A, PRO64B, PRO65A, PRO65B, SER214A, SER214B, SER290A, SER290B, SER57A, SER57B, THR297A, THR297B, THR58A, THR58B, TRP173A, TRP173B, TRP210A, TRP210B, TRP217A, TRP217B, TRP30A, TRP30B, TRP56A, TRP56B, TYR257A, TYR257B, TYR61A, TYR61B, TYR66A, TYR66B, TYR97A, TYR97B, VAL211A, VAL211B, VAL32A, VAL32B, VAL33A, VAL33B
• A-C: ALA62A, ALA62C, GLU106A, GLU106C, GLU109A, GLU109C, PHE63A, PHE63C, PRO64A, PRO64C, PRO65A, PRO65C, TYR61A, TYR61C, TYR66A, TYR66C
• A-D: ALA113A, ALA113D, ALA62A, ALA62D, ARG110A, ARG110D, ASP103A, GLU105A, GLU105D, GLU106A, GLU106D, GLU109A, GLU109D, GLU148A, GLU151A, GLU152A, GLU152D, HIS107A, LEU112A, LEU112D, LEU149A, LYS108A, LYS108D, LYS116A, LYS116D, LYS155A, LYS155D, LYS162D, LYS67D, PHE63A, PHE63D, PRO104A, PRO64A, PRO64D, PRO65A, PRO65D, SER159A, SER159D, TYR66A, TYR66D, VAL156A, VAL156D
• B-C: ALA113B, ALA113C, ALA62B, ALA62C, ARG110B, ARG110C, ASP103C, GLU105B, GLU105C, GLU106B, GLU106C, GLU109B, GLU109C, GLU148C, GLU151C, GLU152B, GLU152C, HIS107C, LEU112C, LEU149C, LYS108B, LYS108C, LYS116B, LYS116C, LYS155B, LYS155C, LYS67B, PHE63B, PHE63C, PRO104C, PRO64B, PRO64C, PRO65B, PRO65C, SER159B, SER159C, TYR66B, TYR66C, VAL156B, VAL156C
• B-D: ALA62B, ALA62D, PHE63B, PHE63D, PRO64B, PRO64D, PRO65B, PRO65D, TYR61B, TYR61D, TYR66B, TYR66D
• C-D: ALA208C, ALA208D, ALA24C, ALA24D, ALA60C, ALA60D, ALA62C, ALA62D, ARG110C, ARG110D, ARG258C, ARG258D, ARG299C, ARG299D, ARG55C, ARG55D, ARG71C, ARG71D, ASN102C, ASN102D, ASN140C, ASN140D, ASN20C, ASN20D, ASN26C, ASN26D, ASP103C, ASP103D, ASP296C, ASP296D, ASP29C, ASP29D, CYS289C, CYS289D, GLU105C, GLU105D, GLU106C, GLU106D, GLU109C, GLU109D, GLU209C, GLU209D, GLU212C, GLU212D, GLU215C, GLU215D, GLU27C, GLU27D, GLU98C, GLU98D, GLU99C, GLU99D, GLY139C, GLY139D, GLY207C, GLY207D, GLY213C, GLY213D, GLY28C, GLY28D, GLY291C, GLY291D, GLY31C, GLY31D, HIS107C, HIS107D, HIS138C, HIS138D, HIS59C, HIS59D, HIS96C, HIS96D, ILE34C, ILE34D, LEU100C, LEU100D, LEU218C, LEU218D, LEU298C, LEU298D, LYS108C, LYS108D, LYS216C, LYS216D, LYS259C, LYS259D, LYS300C, LYS300D, LYS35C, LYS35D, LYS67C, LYS67D, MET101C, MET101D, MET69C, MET69D, PHE38C, PHE38D, PHE63C, PHE63D, PHE72C, PHE72D, PRO104C, PRO104D, PRO25C, PRO25D, PRO64C, PRO64D, PRO65C, PRO65D, SER214C, SER214D, SER290C, SER290D, SER57C, SER57D, THR297C, THR297D, THR58C, THR58D, TRP173C, TRP173D, TRP210C, TRP210D, TRP217C, TRP217D, TRP30C, TRP30D, TRP56C, TRP56D, TYR257C, TYR257D, TYR61C, TYR61D, TYR66C, TYR66D, TYR97C, TYR97D, VAL211C, VAL211D, VAL32C, VAL32D, VAL33C, VAL33D