3CG0

crystal structure of signal receiver domain of modulated diguanylate cyclase from desulfovibrio desulfuricans g20, an example of alternate folding

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 214
  • Norm. En. per Res.: -5.1496
• 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	-223.9138	-145.7142	-732.377	-1102.005	214	36	38	31369	12	54	47
A-C	0.0	0.0	-0.124	-0.124	9	0	0	59	0	1	4
A-D	0.0	0.0	-36.2581	-36.2581	25	0	2	1709	0	1	1
B-C	-12.7097	0.0	-45.1205	-57.8302	37	4	3	1825	0	17	12
B-D	-2.1566	-6.8505	-23.8031	-32.8101	21	0	2	1242	1	6	9
C-D	-15.1317	-5.1385	-82.2488	-102.5191	63	2	0	3903	2	17	33

Interface residues

• A-B: ALA108A, ALA108B, ALA112A, ALA112B, ALA113A, ALA113B, ALA123A, ALA123B, ALA19A, ALA19B, ALA20A, ALA20B, ALA21A, ALA21B, ALA56A, ALA56B, ALA65A, ALA65B, ALA72A, ALA72B, ALA73A, ALA73B, ALA76A, ALA76B, ALA77A, ALA77B, ALA98A, ALA98B, ARG100A, ARG100B, ARG118A, ARG118B, ARG17A, ARG17B, ARG24A, ARG24B, ARG74A, ARG74B, ARG97A, ARG97B, ASN102A, ASN102B, ASN40A, ASN40B, ASN80A, ASN80B, ASP114A, ASP114B, ASP15A, ASP15B, ASP33B, ASP39A, ASP39B, ASP54A, ASP54B, ASP59A, ASP59B, ASP67A, ASP67B, ASP91A, ASP91B, CYS63A, CYS63B, CYS79A, CYS79B, GLN26A, GLN26B, GLN90A, GLN90B, GLN96A, GLN96B, GLU121A, GLU121B, GLU130A, GLU131A, GLU131B, GLU14A, GLU14B, GLU28A, GLU28B, GLU42A, GLU43A, GLU70A, GLU70B, GLU93A, GLU93B, GLY105A, GLY105B, GLY16A, GLY16B, GLY31A, GLY31B, GLY41A, GLY64A, GLY64B, GLY68A, GLY68B, GLY9A, GLY9B, HIS117A, HIS117B, HIS125A, HIS125B, ILE120A, ILE120B, ILE124A, ILE124B, ILE12A, ILE12B, ILE25A, ILE25B, ILE55A, ILE55B, ILE60A, ILE60B, ILE83A, ILE83B, ILE84A, ILE84B, ILE86A, ILE86B, LEU107A, LEU107B, LEU116A, LEU116B, LEU11A, LEU11B, LEU18A, LEU18B, LEU23A, LEU23B, LEU27A, LEU27B, LEU30A, LEU30B, LEU57A, LEU57B, LEU62A, LEU62B, LEU66A, LEU75A, LEU75B, LEU7B, LEU81A, LEU81B, LYS109A, LYS109B, LYS126A, LYS126B, LYS127A, LYS127B, LYS128A, LYS128B, LYS99A, LYS99B, MET122A, MET122B, MET61A, MET61B, PHE104A, PHE104B, PHE38A, PHE38B, PHE85A, PHE85B, PHE95A, PHE95B, PRO103A, PRO103B, PRO110A, PRO110B, PRO53A, PRO53B, PRO82A, PRO82B, PRO8A, PRO8B, SER119A, SER119B, SER29A, SER29B, SER88A, SER88B, SER89A, SER89B, THR115A, THR115B, THR22A, THR22B, THR71A, THR71B, THR87A, THR87B, THR94A, THR94B, TYR106A, TYR106B, TYR32A, TYR32B, VAL101A, VAL101B, VAL10A, VAL10B, VAL111A, VAL111B, VAL13A, VAL13B, VAL34A, VAL37A, VAL37B, VAL58A, VAL58B, VAL69A, VAL69B
• A-C: ALA21A, ARG100C, ARG74C, ARG97C, GLU70C, GLU93C, ILE25A, LEU18A, THR22A
• A-D: ALA113D, ALA19D, ALA20D, ALA21D, ARG17D, ARG24A, ARG24D, GLN26A, GLN26D, GLU28A, GLY31A, ILE25A, ILE25D, LEU18D, LEU23A, LEU23D, LEU27A, LEU30A, PRO110D, SER29A, SER29D, THR22A, THR22D, TYR32A, VAL111D
• B-C: ALA65B, ALA72C, ALA73C, ALA76C, ALA77C, ARG100C, ARG46B, ARG74B, ARG74C, ASN102C, ASN40B, ASN80C, ASP67B, CYS63B, CYS79C, GLU130C, GLU42B, GLU43B, GLU70B, GLU70C, GLY41B, GLY64B, GLY78C, LEU66B, LEU66C, LEU75C, LEU81C, LYS127C, LYS99C, PRO110B, PRO49C, THR71B, THR71C, VAL101C, VAL45B, VAL45C, VAL69C
• B-D: ALA112B, ALA113B, ALA19D, ALA20D, ALA21D, ARG118B, ARG17D, ARG24D, ASP114B, GLU121B, GLU28D, HIS117B, ILE25D, LEU116B, LEU18D, PRO110B, SER29D, THR115B, THR22D, VAL111B, VAL34D
• C-D: ALA19C, ALA19D, ALA20C, ALA65C, ALA65D, ARG17C, ARG17D, ARG97D, ASN40C, ASP15C, ASP15D, ASP39C, ASP39D, ASP59C, ASP59D, ASP67D, ASP91C, ASP91D, CYS63C, CYS63D, GLN90C, GLN90D, GLN96D, GLU14C, GLU14D, GLU42C, GLU43C, GLU70C, GLU70D, GLU93C, GLU93D, GLY16C, GLY16D, GLY41C, GLY64C, GLY64D, GLY68D, ILE60C, ILE60D, ILE86C, LEU18C, LEU18D, LEU62C, LEU62D, LEU66C, LEU66D, LYS109C, LYS109D, MET61C, MET61D, PHE38C, PHE95D, PRO110C, PRO110D, SER88C, SER88D, SER89C, SER89D, THR22C, THR87C, THR94C, THR94D, VAL92D