3NMY

native structure of xometc at ph 9.0

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: B-D
  • Int. Res.: 76
  • Norm. En. per Res.: -5.0561
• 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	-148.3892	-96.7644	-743.922	-989.0756	237	33	23	29183	6	54	31
A-C	-79.3039	12.5009	-311.893	-378.696	76	9	13	10580	0	4	3
A-D	-112.3288	-79.441	-422.06	-613.8299	143	28	11	16991	6	36	33
B-C	-106.804	-78.7803	-416.877	-602.4614	142	34	11	16946	6	36	33
B-D	-92.8566	12.6013	-304.005	-384.2603	76	9	13	10419	0	4	3
C-D	-125.1898	-86.9481	-727.128	-939.2659	234	31	22	29056	6	53	32

Interface residues

• A-B: ALA101A, ALA101B, ALA127A, ALA127B, ALA208A, ALA208B, ALA324A, ALA324B, ALA337A, ALA337B, ALA351A, ALA351B, ALA356A, ALA356B, ALA41A, ALA41B, ALA46A, ALA46B, ALA86A, ALA86B, ALA90A, ALA90B, ALA91A, ALA91B, ARG117A, ARG117B, ARG121A, ARG121B, ARG123A, ARG123B, ARG124A, ARG124B, ARG125A, ARG125B, ARG326A, ARG326B, ARG374A, ARG374B, ARG60A, ARG60B, ARG66A, ARG66B, ASN213A, ASN213B, ASN240A, ASN240B, ASN348A, ASN348B, ASN63A, ASN63B, ASP100A, ASP100B, ASP217A, ASP217B, ASP250A, ASP250B, CYS328A, CYS328B, GLN234A, GLN234B, GLN239A, GLN239B, GLN246A, GLN246B, GLN47A, GLN47B, GLU120A, GLU120B, GLU329A, GLU329B, GLU338A, GLU338B, GLU344A, GLU344B, GLU52A, GLU52B, GLU57A, GLU57B, GLU97A, GLU97B, GLY102A, GLY102B, GLY113A, GLY113B, GLY114A, GLY114B, GLY128A, GLY128B, GLY220A, GLY220B, GLY221B, GLY243A, GLY243B, GLY244A, GLY244B, GLY247A, GLY247B, GLY342A, GLY342B, GLY51A, GLY51B, GLY88A, GLY88B, HIS215A, HIS215B, HIS349A, HIS349B, HIS53A, HIS53B, HIS62A, HIS62B, ILE242A, ILE242B, ILE39A, ILE39B, LEU118A, LEU118B, LEU129A, LEU129B, LEU181A, LEU238A, LEU238B, LEU253A, LEU253B, LEU336A, LEU336B, LEU340A, LEU340B, LEU346A, LEU346B, LEU98A, LEU98B, LEU99A, LEU99B, LYS210A, LYS210B, LYS325A, LYS325B, LYS330A, LYS330B, MET218A, MET218B, MET353A, MET353B, MET89A, MET89B, MET96A, MET96B, PHE119A, PHE119B, PHE237A, PHE237B, PHE249A, PHE249B, PHE252A, PHE252B, PHE321A, PHE321B, PHE327A, PHE327B, PHE56A, PHE56B, PHE85A, PHE85B, PRO248A, PRO248B, PRO350A, PRO350B, PRO50A, PRO50B, SER103A, SER103B, SER207A, SER207B, SER216A, SER216B, SER241A, SER241B, SER251A, SER251B, SER339A, SER339B, SER357A, SER357B, SER43A, SER43B, SER48A, SER48B, SER49A, SER49B, SER59A, SER59B, SER87A, SER87B, SER93A, SER93B, THR115A, THR115B, THR126A, THR126B, THR209A, THR209B, THR335A, THR335B, THR354A, THR354B, THR42A, THR42B, THR44A, THR44B, THR61A, THR61B, THR92A, THR92B, THR94A, THR94B, TYR112A, TYR112B, TYR40A, TYR40B, TYR45A, TYR45B, TYR58A, TYR58B, VAL122A, VAL122B, VAL219A, VAL219B, VAL245A, VAL245B, VAL347A, VAL347B, VAL352A, VAL352B, VAL373A, VAL373B, VAL95A
• A-C: ALA34A, ALA34C, ALA41A, ALA41C, ALA46A, ALA46C, ARG256A, ARG256C, ASN63A, ASN63C, ASP29A, ASP29C, GLN47A, GLN47C, GLN54A, GLN54C, GLU57A, GLU57C, GLY33A, GLY33C, GLY55A, GLY55C, HIS53A, HIS53C, HIS62A, HIS62C, ILE39A, ILE39C, LEU253A, LEU253C, MET36A, MET36C, PHE249A, PHE249C, PHE252A, PHE252C, PHE56A, PHE56C, PHE67A, PHE67C, PRO248A, PRO248C, PRO28A, PRO28C, PRO30A, PRO30C, PRO37A, PRO37C, PRO38A, PRO38C, PRO64A, PRO64C, SER27A, SER27C, SER31A, SER31C, SER43A, SER43C, SER48A, SER48C, SER59A, SER59C, THR32A, THR32C, THR42A, THR42C, THR44A, THR44C, THR65A, THR65C, TYR40A, TYR40C, TYR45A, TYR45C, VAL35A, VAL35C
• A-D: ALA14A, ALA14D, ALA18A, ALA18D, ALA208A, ALA208D, ALA21A, ALA21D, ALA254A, ALA254D, ALA267A, ALA267D, ALA337A, ALA337D, ALA34A, ALA34D, ARG256A, ARG256D, ARG264A, ARG264D, ARG266A, ARG266D, ARG391A, ARG391D, ASN213A, ASN213D, ASN271A, ASN271D, ASP217A, ASP217D, ASP250A, ASP250D, ASP381A, ASP381D, ASP384A, ASP384D, ASP388A, ASP388D, GLU270A, GLU270D, GLU332A, GLU332D, GLU338A, GLU338D, GLU344A, GLU344D, GLU380A, GLU380D, GLY214A, GLY214D, GLY24D, GLY257A, GLY257D, GLY33A, GLY33D, GLY342A, GLY342D, GLY378A, GLY378D, GLY383A, GLY383D, GLY387A, GLY387D, HIS215A, HIS215D, HIS23A, HIS23D, HIS268A, HIS268D, ILE22A, ILE22D, ILE379A, ILE379D, ILE39A, ILE39D, LEU15A, LEU15D, LEU17A, LEU17D, LEU20A, LEU20D, LEU212A, LEU212D, LEU253A, LEU253D, LEU255A, LEU255D, LEU258A, LEU258D, LEU261A, LEU261D, LEU263A, LEU263D, LEU333A, LEU333D, LEU336A, LEU336D, LEU346A, LEU346D, LEU382A, LEU382D, LEU385A, LEU385D, LYS259A, LYS259D, MET218A, MET218D, MET265A, MET265D, MET36A, MET36D, PHE249A, PHE249D, PHE252A, PHE252D, PHE334A, PHE334D, PRO262A, PRO262D, PRO28A, PRO28D, PRO37A, PRO37D, SER16A, SER16D, SER216A, SER216D, SER27A, SER27D, SER339A, SER339D, SER345A, SER345D, THR19A, THR19D, THR260A, THR260D, THR335A, THR335D, VAL343A, VAL343D, VAL35A, VAL35D
• B-C: ALA14B, ALA14C, ALA18B, ALA18C, ALA208C, ALA21B, ALA21C, ALA254B, ALA254C, ALA267B, ALA267C, ALA337B, ALA337C, ALA34B, ALA34C, ARG256B, ARG256C, ARG264B, ARG264C, ARG266B, ARG266C, ARG391B, ARG391C, ASN213B, ASN213C, ASN271B, ASN271C, ASP217B, ASP217C, ASP250B, ASP250C, ASP381B, ASP381C, ASP384B, ASP384C, ASP388B, ASP388C, GLU270B, GLU270C, GLU332B, GLU332C, GLU338B, GLU338C, GLU344B, GLU344C, GLU380B, GLU380C, GLY214B, GLY214C, GLY257B, GLY257C, GLY33B, GLY33C, GLY342B, GLY342C, GLY378B, GLY378C, GLY383B, GLY383C, GLY387B, GLY387C, HIS215B, HIS215C, HIS23B, HIS23C, HIS268B, HIS268C, ILE22B, ILE22C, ILE379B, ILE379C, ILE39B, ILE39C, LEU15B, LEU15C, LEU17B, LEU17C, LEU20B, LEU20C, LEU212B, LEU212C, LEU253B, LEU253C, LEU255B, LEU255C, LEU258B, LEU258C, LEU261B, LEU261C, LEU263B, LEU263C, LEU333B, LEU333C, LEU336B, LEU336C, LEU346B, LEU346C, LEU382B, LEU382C, LEU385B, LEU385C, LYS259B, LYS259C, MET218B, MET218C, MET265B, MET265C, MET36B, MET36C, PHE249B, PHE249C, PHE252B, PHE252C, PHE334B, PHE334C, PRO262B, PRO262C, PRO28B, PRO28C, PRO37B, PRO37C, SER16B, SER16C, SER216B, SER216C, SER251B, SER27B, SER27C, SER339B, SER339C, SER345B, SER345C, THR19B, THR19C, THR260B, THR260C, THR335B, THR335C, VAL343B, VAL343C, VAL35B, VAL35C
• B-D: ALA34B, ALA34D, ALA41B, ALA41D, ALA46B, ALA46D, ARG256B, ARG256D, ASN63B, ASN63D, ASP29B, ASP29D, GLN47B, GLN47D, GLN54B, GLN54D, GLU57B, GLU57D, GLY33B, GLY33D, GLY55B, GLY55D, HIS53B, HIS53D, HIS62B, HIS62D, ILE39B, ILE39D, LEU253B, LEU253D, MET36B, MET36D, PHE249B, PHE249D, PHE252B, PHE252D, PHE56B, PHE56D, PHE67B, PHE67D, PRO248B, PRO248D, PRO28B, PRO28D, PRO30B, PRO30D, PRO37B, PRO37D, PRO38B, PRO38D, PRO64B, PRO64D, SER27B, SER27D, SER31B, SER31D, SER43B, SER43D, SER48B, SER48D, SER59B, SER59D, THR32B, THR32D, THR42B, THR42D, THR44B, THR44D, THR65B, THR65D, TYR40B, TYR40D, TYR45B, TYR45D, VAL35B, VAL35D
• C-D: ALA101C, ALA101D, ALA127C, ALA127D, ALA208C, ALA208D, ALA324C, ALA324D, ALA337C, ALA337D, ALA351C, ALA351D, ALA356D, ALA41C, ALA41D, ALA46C, ALA46D, ALA86C, ALA86D, ALA90C, ALA90D, ALA91C, ALA91D, ARG117C, ARG117D, ARG121C, ARG121D, ARG123C, ARG123D, ARG124C, ARG124D, ARG125C, ARG125D, ARG326C, ARG326D, ARG374C, ARG374D, ARG60C, ARG60D, ARG66C, ARG66D, ASN213C, ASN213D, ASN240C, ASN240D, ASN348C, ASN348D, ASN63C, ASN63D, ASP100C, ASP100D, ASP217C, ASP217D, ASP250C, ASP250D, CYS328C, CYS328D, GLN234C, GLN234D, GLN239C, GLN239D, GLN246C, GLN246D, GLN47C, GLN47D, GLU120C, GLU120D, GLU329C, GLU329D, GLU338C, GLU338D, GLU344C, GLU344D, GLU52C, GLU52D, GLU57C, GLU57D, GLU97C, GLU97D, GLY102C, GLY102D, GLY113C, GLY113D, GLY114C, GLY114D, GLY128C, GLY128D, GLY214D, GLY220C, GLY220D, GLY243C, GLY243D, GLY244C, GLY244D, GLY247C, GLY247D, GLY342C, GLY342D, GLY51C, GLY51D, GLY88C, GLY88D, HIS215C, HIS215D, HIS349C, HIS349D, HIS53C, HIS53D, HIS62C, HIS62D, ILE242C, ILE242D, ILE39C, ILE39D, LEU118C, LEU118D, LEU129C, LEU129D, LEU238C, LEU238D, LEU253C, LEU253D, LEU336C, LEU336D, LEU340C, LEU340D, LEU346C, LEU346D, LEU98C, LEU98D, LEU99C, LEU99D, LYS210C, LYS210D, LYS325C, LYS325D, LYS330C, LYS330D, MET218C, MET218D, MET353C, MET353D, MET89C, MET89D, MET96C, MET96D, PHE119C, PHE119D, PHE237C, PHE237D, PHE249C, PHE249D, PHE252C, PHE252D, PHE321C, PHE321D, PHE327C, PHE327D, PHE56C, PHE56D, PHE85C, PHE85D, PRO248C, PRO248D, PRO350C, PRO350D, PRO50C, PRO50D, SER103C, SER103D, SER207C, SER207D, SER216C, SER216D, SER241C, SER241D, SER251C, SER251D, SER339C, SER339D, SER43C, SER43D, SER48C, SER48D, SER49C, SER49D, SER59C, SER59D, SER87C, SER87D, SER93C, SER93D, THR115C, THR115D, THR126C, THR126D, THR187C, THR187D, THR209C, THR209D, THR335C, THR335D, THR354C, THR354D, THR42C, THR42D, THR44C, THR44D, THR61C, THR61D, THR92C, THR92D, THR94C, THR94D, TYR112C, TYR112D, TYR40C, TYR40D, TYR45C, TYR45D, TYR58C, TYR58D, VAL122C, VAL122D, VAL219C, VAL219D, VAL245C, VAL245D, VAL347C, VAL347D, VAL352C, VAL352D, VAL373C, VAL373D