2OGE

x-ray structure of s. venezuelae desv in its internal aldimine form

• Total interactions analyzed: 6
• Total true interactions: 5
• Strongest Interaction:
  • Chains: C-D
  • Int. Res.: 200
  • Norm. En. per Res.: -4.1913
• 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	-124.6788	-115.3875	-569.455	-809.5213	208	51	17	23173	16	35	42
A-C	-49.4834	-44.1253	-89.8366	-183.4452	50	11	0	3332	4	35	23
A-D	-8.7449	-1.1614	-66.4454	-76.3516	35	3	0	2387	3	40	38
B-C	0.0	-20.4998	-33.2036	-53.7034	30	0	0	1420	1	30	36
C-D	-111.9418	-131.6308	-594.682	-838.2545	200	29	19	23568	15	37	43

Interface residues

• A-B: ALA102A, ALA102B, ALA105B, ALA166B, ALA17A, ALA17B, ALA18A, ALA18B, ALA31A, ALA31B, ALA327A, ALA327B, ALA329A, ALA329B, ALA332A, ALA332B, ALA70A, ALA70B, ALA95A, ALA95B, ALA99A, ALA99B, ARG219A, ARG219B, ARG237A, ARG237B, ARG23A, ARG23B, ARG249A, ARG249B, ARG300A, ARG300B, ARG304A, ARG304B, ARG32A, ARG32B, ARG38A, ARG38B, ARG76A, ARG76B, ASN220A, ASN220B, ASN235A, ASN235B, ASN65A, ASN65B, ASP14A, ASP14B, ASP200A, ASP200B, ASP239A, ASP239B, ASP27A, ASP27B, ASP35A, ASP35B, ASP69A, ASP69B, CYS197A, CYS197B, GLN225A, GLN242A, GLN242B, GLN72A, GLN72B, GLU20A, GLU20B, GLU230A, GLU230B, GLU240A, GLU240B, GLU331A, GLU331B, GLY192A, GLY192B, GLY199A, GLY199B, GLY201A, GLY201B, GLY202A, GLY202B, GLY222A, GLY222B, GLY233A, GLY233B, GLY330A, GLY330B, GLY37A, GLY37B, GLY67A, GLY67B, HIS229A, HIS229B, HIS317A, HIS317B, ILE30A, ILE30B, ILE94A, ILE94B, LEU15A, LEU15B, LEU218A, LEU218B, LEU238A, LEU238B, LEU315A, LEU315B, LEU324A, LEU324B, LEU349A, LEU349B, LEU34A, LEU34B, LEU40A, LEU40B, LEU41A, LEU41B, LEU71A, LEU71B, LEU98A, LEU98B, LYS16A, LYS16B, LYS226A, LYS226B, LYS232A, LYS232B, MET217A, MET217B, MET241A, MET241B, MET68A, MET68B, PHE12A, PHE12B, PHE189A, PHE189B, PHE198A, PHE198B, PRO107A, PRO107B, PRO191A, PRO191B, PRO319A, PRO319B, PRO326A, PRO326B, PRO82A, PRO82B, SER101A, SER101B, SER188A, SER188B, SER223A, SER223B, SER228A, SER228B, SER236A, SER236B, SER325A, SER325B, SER350A, SER350B, SER36A, SER36B, SER66A, SER66B, SER96A, SER96B, THR106B, THR231A, THR231B, THR234A, THR234B, THR26A, THR26B, THR314A, THR314B, THR316A, THR316B, TRP97A, TRP97B, TYR190A, TYR190B, TYR19A, TYR19B, TYR221A, TYR221B, TYR227A, TYR227B, TYR318A, TYR318B, TYR328A, TYR328B, TYR39A, TYR39B, TYR93A, TYR93B, VAL245A, VAL245B, VAL320A, VAL320B, VAL322A, VAL322B, VAL33A, VAL33B, VAL64A, VAL64B
• A-C: ALA212A, ALA212C, ARG214A, ARG214C, ARG216A, ARG216C, ARG224A, ARG224C, ASP208A, ASP208C, ASP59A, ASP59C, GLN225A, GLN225C, GLU210A, GLU210C, GLU213A, GLU213C, GLU230A, GLU230C, GLU46A, GLU46C, GLY181A, GLY181C, GLY207A, GLY207C, HIS229A, HIS229C, HIS60A, HIS60C, LEU211A, LEU211C, LYS226A, LYS226C, MET217A, MET217C, PRO209A, PRO209C, SER182A, SER182C, SER223A, SER223C, SER228A, SER228C, THR206A, THR206C, THR58A, THR58C, TYR227A, TYR227C
• A-D: ALA180A, ALA309D, ALA54A, ARG151A, ARG172A, ARG174A, ARG176A, ARG177A, ARG299D, ARG300D, ARG304D, ARG310D, ARG9D, ASP148A, ASP254A, ASP285A, ASP301D, ASP308D, CYS56A, GLU302D, GLU57A, GLY175A, GLY181A, GLY311D, HIS306D, LEU303D, LEU307D, PRO209A, PRO326D, SER182A, SER305D, THR58A, TRP372D, TYR173A, TYR55A
• B-C: ALA180C, ALA309B, ALA54C, ARG172C, ARG174C, ARG176C, ARG177C, ARG299B, ARG300B, ARG304B, ARG310B, ASP148C, ASP285C, ASP301B, ASP308B, ASP59C, GLU302B, GLU57C, GLY175C, GLY181C, HIS306B, LEU303B, PRO209C, PRO326B, SER182C, SER305B, TRP372B, TYR173C, TYR55C, VAL376B
• C-D: ALA102C, ALA102D, ALA17C, ALA17D, ALA18C, ALA18D, ALA28C, ALA31C, ALA31D, ALA327C, ALA327D, ALA329C, ALA329D, ALA332C, ALA70D, ALA95C, ALA95D, ALA99C, ALA99D, ARG219C, ARG219D, ARG237C, ARG237D, ARG23C, ARG23D, ARG249C, ARG249D, ARG300D, ARG304C, ARG304D, ARG32C, ARG32D, ARG38C, ARG38D, ARG76C, ARG76D, ASN220C, ASN220D, ASN235C, ASN235D, ASN65C, ASN65D, ASP14C, ASP14D, ASP200C, ASP200D, ASP239C, ASP239D, ASP27C, ASP27D, ASP35C, ASP35D, ASP69C, ASP69D, CYS197C, CYS197D, GLN242C, GLN242D, GLN72C, GLN72D, GLU20C, GLU20D, GLU230C, GLU230D, GLU240C, GLU240D, GLU331C, GLU331D, GLY192C, GLY192D, GLY199C, GLY199D, GLY201C, GLY201D, GLY202C, GLY202D, GLY222C, GLY222D, GLY233C, GLY233D, GLY330C, GLY330D, GLY37C, GLY37D, GLY67C, GLY67D, HIS229C, HIS229D, HIS317C, HIS317D, ILE30C, ILE30D, ILE94C, ILE94D, LEU15C, LEU15D, LEU218C, LEU218D, LEU238C, LEU238D, LEU315C, LEU315D, LEU324C, LEU324D, LEU349C, LEU349D, LEU34C, LEU34D, LEU40C, LEU40D, LEU41C, LEU41D, LEU71C, LEU71D, LEU98C, LEU98D, LYS16C, LYS16D, LYS226C, LYS226D, LYS232C, LYS232D, MET217C, MET241C, MET241D, MET68C, MET68D, PHE12C, PHE12D, PHE189C, PHE189D, PHE198C, PHE198D, PRO107C, PRO107D, PRO191C, PRO191D, PRO319C, PRO319D, PRO326C, PRO326D, SER101C, SER101D, SER188C, SER188D, SER223C, SER223D, SER228C, SER228D, SER236C, SER236D, SER325C, SER325D, SER350C, SER350D, SER36C, SER36D, SER66C, SER66D, SER96C, SER96D, THR106C, THR231C, THR231D, THR234C, THR234D, THR26C, THR26D, THR314C, THR314D, THR316C, THR316D, TRP97C, TRP97D, TYR190C, TYR190D, TYR19C, TYR19D, TYR221C, TYR221D, TYR227C, TYR227D, TYR318C, TYR318D, TYR328C, TYR328D, TYR39C, TYR39D, TYR93C, TYR93D, VAL245C, VAL245D, VAL320C, VAL320D, VAL322C, VAL322D, VAL33C, VAL33D, VAL64C, VAL64D