2PPG

crystal structure of putative isomerase from sinorhizobium meliloti

• Total interactions analyzed: 6
• Total true interactions: 5
• Strongest Interaction:
  • Chains: A-C
  • Int. Res.: 190
  • Norm. En. per Res.: -4.7357
• 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	-9.3139	-24.2198	-71.727	-105.2606	69	3	1	3420	3	21	30
A-C	-49.0853	-284.2456	-566.46	-899.7909	190	25	21	22444	14	101	74
A-D	-71.6652	-138.3359	-230.036	-440.0371	113	12	11	9790	10	43	43
B-C	-69.7518	-156.7186	-224.673	-451.1434	114	14	11	9623	10	39	40
C-D	-14.0718	-42.3184	-82.0409	-138.4311	71	3	1	3572	2	21	26

Interface residues

• A-B: ALA219A, ALA222A, ALA227A, ALA253A, ALA253B, ALA256B, ALA257A, ALA257B, ALA262B, ALA280B, ALA283B, ALA285B, ALA336B, ARG150B, ARG151B, ARG211B, ARG245A, ARG254A, ARG254B, ARG278B, ARG281A, ARG281B, ARG282B, ARG43A, ASN337B, ASP248A, ASP250A, ASP339B, GLU224A, GLU233B, GLU247A, GLY236B, GLY251A, HIS220A, HIS307B, HIS309B, HIS310B, ILE249A, ILE263B, ILE286B, ILE311B, LEU228A, LEU237B, LEU252A, LEU252B, LEU284B, LYS197A, LYS230A, LYS230B, LYS312B, PHE239B, PRO208B, SER223A, SER258A, SER258B, SER260B, THR221A, THR246A, THR261B, TRP218A, TRP238B, VAL226A, VAL244A, VAL255B, VAL259A, VAL259B, VAL279B, VAL308B, VAL313B
• A-C: ALA100A, ALA100C, ALA122A, ALA122C, ALA219A, ALA219C, ALA242A, ALA242C, ALA280A, ALA280C, ALA41A, ALA74A, ALA74C, ALA77A, ALA77C, ALA87A, ALA87C, ARG110A, ARG110C, ARG112A, ARG112C, ARG245A, ARG245C, ARG270A, ARG270C, ARG278A, ARG278C, ARG281A, ARG281C, ARG34A, ARG34C, ARG39A, ARG39C, ARG43A, ARG43C, ARG51A, ARG51C, ARG76A, ARG76C, ARG93A, ARG93C, ASN32A, ASN32C, ASN42A, ASN42C, ASP103A, ASP103C, ASP104A, ASP104C, ASP107A, ASP107C, ASP121A, ASP121C, ASP248A, ASP248C, ASP250A, ASP250C, ASP274A, ASP274C, ASP50C, ASP83A, ASP83C, ASP84A, ASP84C, ASP88A, ASP88C, GLU247A, GLU247C, GLU267A, GLU267C, GLU268A, GLU268C, GLU290A, GLU30A, GLU30C, GLU80A, GLU80C, GLY113A, GLY113C, GLY116A, GLY116C, GLY117A, GLY117C, GLY292A, GLY292C, GLY33A, GLY33C, GLY35A, GLY35C, GLY71A, GLY71C, HIS102A, HIS102C, HIS217A, HIS217C, HIS273A, HIS273C, HIS293A, HIS293C, HIS316A, HIS316C, HIS389A, HIS389C, ILE101A, ILE101C, ILE249A, ILE249C, ILE319A, ILE81A, ILE81C, ILE82A, ILE82C, ILE8A, ILE91A, ILE91C, LEU105A, LEU105C, LEU108A, LEU108C, LEU22A, LEU22C, LEU37A, LEU37C, LEU72A, LEU72C, LEU85A, LEU85C, LEU86A, LEU86C, PHE118A, PHE118C, PHE49A, PHE89A, PHE89C, PRO277A, PRO277C, PRO31A, PRO31C, PRO47A, PRO47C, PRO75A, PRO75C, THR115A, THR115C, THR246A, THR246C, THR271A, THR271C, THR318A, THR318C, THR44A, THR44C, THR69A, THR69C, THR78A, THR78C, THR90A, TRP218A, TRP218C, TRP269A, TRP269C, TYR106A, TYR106C, TYR114A, TYR114C, TYR119A, TYR119C, TYR21A, TYR36A, TYR36C, TYR46A, TYR46C, TYR70A, TYR70C, VAL111A, VAL111C, VAL120A, VAL120C, VAL244A, VAL244C, VAL272A, VAL272C, VAL276A, VAL276C, VAL38A, VAL38C, VAL45A, VAL45C, VAL73A, VAL73C
• A-D: ALA100A, ALA100D, ALA134A, ALA134D, ALA138A, ALA138D, ALA280A, ALA280D, ALA304A, ALA304D, ALA306A, ALA306D, ALA333A, ALA333D, ALA334A, ALA334D, ALA336A, ALA336D, ALA98A, ALA98D, ALA99A, ALA99D, ARG110A, ARG110D, ARG150A, ARG150D, ARG151A, ARG151D, ARG282D, ARG301A, ARG301D, ARG4A, ARG4D, ARG93A, ARG93D, ASN337D, ASP103A, ASP103D, ASP104A, ASP104D, ASP107A, ASP107D, ASP274A, ASP3D, ASP94A, ASP94D, ASP97A, ASP97D, CYS143A, CYS143D, GLN149A, GLN149D, GLN298A, GLN298D, GLY139A, GLY139D, GLY147A, GLY147D, GLY148A, GLY148D, HIS102A, HIS102D, HIS273A, HIS273D, HIS307A, HIS307D, HIS309A, HIS309D, HIS310A, HIS310D, ILE101A, ILE101D, ILE302A, ILE302D, LEU137A, LEU137D, LEU140A, LEU140D, LEU145A, LEU145D, LEU146A, LEU146D, LEU335A, LEU335D, LYS144A, LYS144D, PHE96A, PHE96D, PRO141A, PRO141D, PRO277A, PRO277D, PRO95A, PRO95D, SER2D, THR271A, THR271D, THR297A, THR297D, TRP131A, TRP131D, TYR106A, TYR106D, TYR305A, TYR305D, VAL272A, VAL272D, VAL276A, VAL276D, VAL279A, VAL279D, VAL308A, VAL308D
• B-C: ALA100B, ALA100C, ALA134B, ALA134C, ALA138B, ALA138C, ALA280B, ALA280C, ALA304B, ALA304C, ALA306B, ALA306C, ALA333B, ALA333C, ALA334B, ALA334C, ALA336B, ALA336C, ALA98B, ALA98C, ALA99B, ALA99C, ARG110B, ARG110C, ARG150B, ARG150C, ARG151B, ARG151C, ARG301B, ARG301C, ARG4B, ARG4C, ARG93B, ARG93C, ASP103B, ASP103C, ASP104B, ASP104C, ASP107B, ASP107C, ASP274B, ASP274C, ASP3B, ASP94B, ASP94C, ASP97B, ASP97C, CYS143B, CYS143C, GLN149B, GLN149C, GLN298B, GLN298C, GLY139B, GLY139C, GLY147B, GLY147C, GLY148B, GLY148C, HIS102B, HIS102C, HIS273B, HIS273C, HIS307B, HIS307C, HIS309B, HIS309C, HIS310B, HIS310C, ILE101B, ILE101C, ILE302B, ILE302C, LEU105B, LEU137B, LEU137C, LEU140B, LEU140C, LEU145B, LEU145C, LEU146B, LEU146C, LEU335B, LEU335C, LYS144B, LYS144C, PHE96B, PHE96C, PRO141B, PRO141C, PRO277B, PRO277C, PRO95B, PRO95C, SER2B, SER2C, THR271B, THR271C, THR297B, THR297C, TRP131B, TRP131C, TYR106B, TYR106C, TYR305B, TYR305C, VAL272B, VAL272C, VAL276B, VAL276C, VAL279B, VAL279C, VAL308B, VAL308C
• C-D: ALA219C, ALA222C, ALA225C, ALA227C, ALA240D, ALA253C, ALA253D, ALA256D, ALA257C, ALA257D, ALA262D, ALA280D, ALA283D, ALA285D, ALA336D, ARG150D, ARG211D, ARG245C, ARG254C, ARG254D, ARG281C, ARG281D, ARG282D, ARG43C, ASN337D, ASP248C, ASP250C, ASP339D, GLU224C, GLU233D, GLU247C, GLY236D, GLY251C, HIS220C, HIS307D, HIS309D, HIS310D, ILE229C, ILE249C, ILE263D, ILE286D, ILE311D, ILE314D, LEU228C, LEU237D, LEU252C, LEU252D, LEU284D, LYS197C, LYS230C, LYS230D, LYS312D, PHE239D, PRO208D, SER223C, SER258C, SER258D, SER260D, THR221C, THR246C, THR261D, TRP218C, TRP238D, VAL226C, VAL244C, VAL255D, VAL259C, VAL259D, VAL279D, VAL308D, VAL313D