3GR9

crystal structure of cold h188k s187n

• Total interactions analyzed: 28
• Total true interactions: 11
• Strongest Interaction:
  • Chains: C-D
  • Int. Res.: 239
  • Norm. En. per Res.: -3.252
• Hub Node: C(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	-78.9926	-66.1408	-611.316	-756.4493	240	37	10	26382	5	60	43
A-C	-14.0944	-41.161	-45.2011	-100.4565	52	7	0	2804	4	32	24
B-C	-6.7295	-6.0141	-3.4213	-16.1648	11	0	0	273	1	6	6
B-G	0.0	-4.3488	-1.8949	-6.2437	6	0	0	165	0	3	5
B-H	0.0	-10.3549	-38.6573	-49.0122	36	0	0	1773	1	23	19
C-D	-59.1503	-75.7443	-642.345	-777.2396	239	31	11	26266	7	61	43
C-E	-14.4846	13.2706	-53.378	-54.5921	37	1	0	2110	0	20	24
C-H	0.0	1.7697	-5.1179	-3.3482	21	0	0	496	0	16	16
E-F	-45.322	-75.9927	-620.394	-741.7087	238	39	12	25869	6	60	43
F-H	-15.0467	6.6975	-46.5762	-54.9254	38	1	0	1995	0	20	22
G-H	-48.5027	-59.0376	-599.138	-706.6784	241	31	12	25469	5	61	43

Interface residues

• A-B: ALA191A, ALA191B, ALA214A, ALA214B, ALA59A, ALA59B, ALA65A, ALA65B, ARG213A, ARG219A, ARG219B, ARG250A, ARG250B, ARG316A, ARG316B, ARG331A, ARG331B, ASN187A, ASN187B, ASN248A, ASN248B, ASN324A, ASN324B, ASN337A, ASN337B, ASN341A, ASN341B, ASN365A, ASN365B, ASN60A, ASN60B, ASP233A, ASP234A, ASP234B, ASP24A, ASP24B, ASP343A, ASP343B, ASP363A, ASP363B, CYS211A, CYS211B, CYS330A, CYS330B, GLN20A, GLN20B, GLN235A, GLN235B, GLN96A, GLN96B, GLN97A, GLN97B, GLU15A, GLU15B, GLU194A, GLU194B, GLU237A, GLU237B, GLU238A, GLU238B, GLU253A, GLU253B, GLY195A, GLY195B, GLY196B, GLY216A, GLY216B, GLY246A, GLY246B, GLY336A, GLY336B, GLY366A, GLY366B, GLY56A, GLY56B, GLY99A, GLY99B, HIS215A, HIS215B, ILE19A, ILE19B, ILE208A, ILE212A, ILE212B, ILE258A, ILE258B, ILE333A, ILE333B, LEU23A, LEU23B, LEU244A, LEU244B, LEU252A, LEU252B, LEU323A, LEU323B, LEU345A, LEU345B, LEU362A, LEU362B, LEU367A, LEU367B, LEU61A, LEU61B, LEU62A, LEU62B, LEU6A, LEU6B, LYS17A, LYS17B, LYS241A, LYS241B, LYS26A, LYS26B, LYS317A, LYS317B, LYS340A, LYS340B, LYS346A, LYS346B, LYS364A, LYS364B, LYS71A, LYS71B, LYS77A, LYS77B, MET193A, MET193B, MET254A, MET254B, MET27A, MET27B, MET30A, MET30B, PHE185A, PHE185B, PHE236A, PHE236B, PHE240A, PHE240B, PHE242A, PHE242B, PHE28A, PHE28B, PHE338A, PHE338B, PHE348A, PHE348B, PHE368A, PHE368B, PHE68A, PHE68B, PHE69A, PHE69B, PRO245A, PRO245B, PRO251A, PRO251B, PRO332A, PRO332B, PRO73A, PRO73B, PRO94A, PRO94B, SER183A, SER183B, SER184B, SER239A, SER239B, SER255A, SER255B, SER25A, SER25B, SER54A, SER54B, SER55A, SER55B, SER57A, SER57B, SER87A, SER87B, SER89A, SER89B, SER9A, SER9B, THR10A, THR10B, THR192A, THR192B, THR218A, THR228A, THR228B, THR29A, THR29B, THR335A, THR335B, THR342A, THR342B, THR58A, THR58B, THR70A, THR70B, THR90A, THR90B, THR91B, TRP11A, TRP11B, TRP217A, TRP217B, TRP88A, TRP88B, TYR16A, TYR16B, TYR186A, TYR186B, TYR247A, TYR247B, TYR347A, TYR347B, TYR92A, TYR92B, TYR93A, TYR93B, TYR98A, TYR98B, VAL227A, VAL227B, VAL22A, VAL22B, VAL243A, VAL243B, VAL249A, VAL249B, VAL320A, VAL320B, VAL334A, VAL334B, VAL344A, VAL344B, VAL369A
• A-C: ALA326A, ARG268C, ARG273C, ARG274C, ASN322A, ASN324A, ASP12A, ASP12C, ASP13A, ASP378A, ASP381A, GLN373A, GLN373C, GLN40C, GLU261C, GLU278C, GLU321A, GLU375A, GLU375C, GLU379A, GLU385A, GLY327A, ILE270C, ILE328A, ILE374A, ILE374C, ILE380A, LEU14C, LEU266C, LEU323A, LEU376A, LEU383A, LYS264C, LYS265C, LYS275C, LYS388A, LYS43C, PHE269C, PHE377A, PHE377C, PRO267C, PRO5A, SER271C, SER325A, SER8A, SER9A, THR10A, THR39C, TRP11A, TYR382A, VAL272C, VAL386A
• B-C: ASP201C, ASP24B, GLN20B, GLY46C, LEU23B, LYS26B, LYS43C, LYS48C, SER21B, SER25B, SER47C
• B-G: ASP24G, GLN20G, LYS26G, LYS43B, LYS48B, SER25G
• B-H: ALA326H, ARG268B, ASN322H, ASN324H, ASP378H, ASP381H, GLU261B, GLU321H, GLU375H, GLU379H, GLU385H, GLY327H, ILE270B, ILE328H, ILE374H, LEU14B, LEU266B, LEU323H, LEU376H, LEU383H, LYS17B, LYS264B, LYS265B, LYS275B, LYS43B, PHE269B, PHE377H, PRO267B, SER271B, SER325H, SER8H, SER9H, TYR186H, TYR382H, VAL272B, VAL386H
• C-D: ALA191C, ALA191D, ALA214C, ALA214D, ALA59C, ALA59D, ALA65C, ALA65D, ARG219C, ARG219D, ARG250C, ARG250D, ARG316C, ARG316D, ARG331C, ARG331D, ASN187C, ASN187D, ASN248C, ASN248D, ASN324C, ASN324D, ASN337C, ASN337D, ASN341C, ASN341D, ASN365C, ASN365D, ASP12C, ASP234C, ASP234D, ASP24C, ASP24D, ASP343C, ASP343D, ASP349D, ASP363C, ASP363D, CYS211C, CYS211D, CYS330C, CYS330D, GLN20C, GLN20D, GLN235C, GLN235D, GLN96C, GLN96D, GLN97C, GLN97D, GLU15C, GLU15D, GLU194C, GLU194D, GLU237C, GLU237D, GLU238C, GLU238D, GLU253C, GLU253D, GLU329C, GLU329D, GLY195C, GLY195D, GLY196C, GLY216C, GLY216D, GLY246C, GLY246D, GLY336C, GLY336D, GLY366C, GLY366D, GLY56C, GLY56D, GLY99C, GLY99D, HIS215C, HIS215D, ILE19C, ILE19D, ILE208C, ILE208D, ILE212C, ILE212D, ILE258C, ILE258D, ILE333C, ILE333D, LEU23C, LEU23D, LEU244C, LEU244D, LEU252C, LEU252D, LEU323C, LEU323D, LEU345C, LEU345D, LEU362C, LEU362D, LEU367C, LEU367D, LEU61C, LEU61D, LEU62C, LEU62D, LEU6C, LYS17C, LYS241C, LYS241D, LYS26C, LYS26D, LYS317C, LYS317D, LYS340C, LYS340D, LYS346C, LYS346D, LYS364C, LYS364D, LYS71C, LYS71D, LYS77C, LYS77D, MET193C, MET193D, MET254C, MET254D, MET27C, MET27D, MET30C, MET30D, PHE185C, PHE185D, PHE236C, PHE236D, PHE240C, PHE240D, PHE242C, PHE242D, PHE28C, PHE28D, PHE338C, PHE338D, PHE348C, PHE348D, PHE368C, PHE368D, PHE68C, PHE68D, PHE69C, PHE69D, PRO245C, PRO245D, PRO251C, PRO251D, PRO332C, PRO332D, PRO73C, PRO73D, PRO94C, PRO94D, SER183C, SER183D, SER184C, SER239C, SER239D, SER255C, SER255D, SER25C, SER25D, SER54C, SER54D, SER55C, SER55D, SER57C, SER57D, SER87C, SER87D, SER89C, SER89D, SER9C, SER9D, THR10C, THR10D, THR192C, THR192D, THR218C, THR228C, THR228D, THR29C, THR29D, THR335C, THR335D, THR342C, THR342D, THR58C, THR58D, THR70C, THR70D, THR90C, THR90D, THR91D, TRP11C, TRP11D, TRP217C, TRP217D, TRP88C, TRP88D, TYR16C, TYR16D, TYR186C, TYR186D, TYR247C, TYR247D, TYR347C, TYR347D, TYR92C, TYR92D, TYR93C, TYR93D, TYR98C, TYR98D, VAL227C, VAL227D, VAL22C, VAL22D, VAL243C, VAL243D, VAL249C, VAL249D, VAL320C, VAL320D, VAL334C, VAL334D, VAL344C, VAL344D, VAL369D
• C-E: ARG101C, ARG152E, ASN146E, ASN169E, ASN341C, ASN354C, ASN355C, ASP125E, ASP143E, ASP153E, ASP343C, ASP357C, GLU144E, GLU360C, GLY150E, GLY151E, HIS353C, ILE149E, ILE154E, LEU339C, LEU345C, LYS103C, LYS147E, LYS340C, LYS346C, LYS72E, PHE104C, PHE142E, PHE168E, SER126C, THR124C, THR124E, THR342C, THR351C, TYR350C, VAL352C, VAL356C
• C-H: ARG152C, ARG268H, ARG274H, ASN146C, ASN170H, ASP125C, ASP153C, GLU278H, GLU298H, GLY150C, GLY151C, ILE149C, ILE270H, LYS120C, LYS147C, LYS264H, LYS265H, LYS275H, PRO267H, SER271H, VAL272H
• E-F: ALA191E, ALA191F, ALA214E, ALA214F, ALA59E, ALA59F, ALA65E, ALA65F, ARG213F, ARG219E, ARG219F, ARG250E, ARG250F, ARG316E, ARG316F, ARG331E, ARG331F, ASN187E, ASN187F, ASN248E, ASN248F, ASN324E, ASN324F, ASN337E, ASN337F, ASN341E, ASN341F, ASN365E, ASN365F, ASP13E, ASP233E, ASP234E, ASP234F, ASP24E, ASP24F, ASP343E, ASP343F, ASP349E, ASP363E, ASP363F, CYS211E, CYS211F, CYS330E, CYS330F, GLN20E, GLN20F, GLN235E, GLN235F, GLN96E, GLN96F, GLN97E, GLN97F, GLU15E, GLU15F, GLU194E, GLU194F, GLU237E, GLU237F, GLU238E, GLU238F, GLU253E, GLU253F, GLU329E, GLU329F, GLY195E, GLY195F, GLY196E, GLY196F, GLY216E, GLY216F, GLY246E, GLY246F, GLY336E, GLY336F, GLY366E, GLY366F, GLY56E, GLY56F, GLY99E, GLY99F, HIS215E, HIS215F, ILE19E, ILE19F, ILE208E, ILE212E, ILE212F, ILE258E, ILE258F, ILE333E, ILE333F, LEU23E, LEU23F, LEU244E, LEU244F, LEU252E, LEU252F, LEU323E, LEU345E, LEU345F, LEU362E, LEU362F, LEU367E, LEU367F, LEU61E, LEU61F, LEU62E, LEU62F, LEU6E, LEU6F, LYS17E, LYS17F, LYS241E, LYS241F, LYS26E, LYS26F, LYS317E, LYS317F, LYS340E, LYS340F, LYS346E, LYS346F, LYS364E, LYS364F, LYS71E, LYS71F, LYS77E, LYS77F, MET193E, MET193F, MET254E, MET254F, MET27E, MET27F, MET30E, MET30F, PHE185E, PHE185F, PHE236E, PHE236F, PHE240E, PHE240F, PHE242E, PHE242F, PHE28E, PHE28F, PHE338E, PHE338F, PHE348E, PHE348F, PHE368E, PHE368F, PHE68E, PHE68F, PHE69E, PHE69F, PRO245E, PRO245F, PRO251E, PRO251F, PRO332E, PRO332F, PRO73E, PRO73F, PRO94E, PRO94F, SER183E, SER183F, SER239E, SER239F, SER255E, SER255F, SER25E, SER25F, SER54E, SER54F, SER55E, SER55F, SER57E, SER57F, SER87E, SER87F, SER89E, SER89F, SER9E, SER9F, THR10E, THR192E, THR192F, THR228E, THR228F, THR29E, THR29F, THR335E, THR335F, THR342E, THR342F, THR58E, THR58F, THR70E, THR70F, THR90E, THR90F, THR91F, TRP11E, TRP11F, TRP217E, TRP217F, TRP88E, TRP88F, TYR16E, TYR16F, TYR186E, TYR186F, TYR247E, TYR247F, TYR347E, TYR347F, TYR92E, TYR92F, TYR93E, TYR93F, TYR98E, TYR98F, VAL227E, VAL227F, VAL22E, VAL22F, VAL243E, VAL243F, VAL249E, VAL249F, VAL320E, VAL320F, VAL334E, VAL334F, VAL344E, VAL344F
• F-H: ARG101F, ARG152H, ASN146H, ASN354F, ASN355F, ASP125F, ASP125H, ASP143H, ASP153H, ASP343F, ASP357F, GLU144H, GLU360F, GLY150H, GLY151H, HIS353F, ILE149H, ILE154H, LEU339F, LEU345F, LYS103F, LYS128H, LYS147H, LYS340F, LYS346F, LYS72H, PHE104F, PHE142H, SER126F, SER126H, THR124F, THR124H, THR342F, THR351F, TYR350F, VAL102F, VAL352F, VAL356F
• G-H: ALA191G, ALA191H, ALA214G, ALA214H, ALA59G, ALA59H, ALA65G, ALA65H, ARG213G, ARG213H, ARG219G, ARG219H, ARG250G, ARG250H, ARG316G, ARG316H, ARG331G, ARG331H, ASN187G, ASN187H, ASN248G, ASN248H, ASN324G, ASN324H, ASN337G, ASN337H, ASN341G, ASN341H, ASN365G, ASN365H, ASN60G, ASP12H, ASP13H, ASP234G, ASP234H, ASP24G, ASP24H, ASP343G, ASP343H, ASP363G, ASP363H, CYS211G, CYS211H, CYS330G, CYS330H, GLN20G, GLN20H, GLN235G, GLN235H, GLN96G, GLN96H, GLN97G, GLN97H, GLU15G, GLU15H, GLU194G, GLU194H, GLU237G, GLU237H, GLU238G, GLU238H, GLU253G, GLU253H, GLU329G, GLU329H, GLY195G, GLY195H, GLY196H, GLY216G, GLY216H, GLY246G, GLY246H, GLY336G, GLY336H, GLY366G, GLY366H, GLY56G, GLY56H, GLY99G, GLY99H, HIS215G, HIS215H, ILE19G, ILE19H, ILE208G, ILE212G, ILE212H, ILE258G, ILE258H, ILE333G, ILE333H, LEU23G, LEU23H, LEU244G, LEU244H, LEU252G, LEU252H, LEU319G, LEU323G, LEU323H, LEU345G, LEU345H, LEU362G, LEU362H, LEU367G, LEU367H, LEU61G, LEU61H, LEU6G, LEU95G, LYS17G, LYS241G, LYS241H, LYS26G, LYS26H, LYS317G, LYS317H, LYS340G, LYS340H, LYS346G, LYS346H, LYS364G, LYS364H, LYS71G, LYS71H, LYS76G, LYS77G, LYS77H, MET193G, MET193H, MET254G, MET254H, MET27G, MET27H, MET30G, MET30H, PHE185G, PHE185H, PHE236G, PHE236H, PHE240G, PHE240H, PHE242G, PHE242H, PHE28G, PHE28H, PHE338G, PHE338H, PHE348G, PHE348H, PHE368G, PHE368H, PHE68G, PHE68H, PHE69G, PHE69H, PRO245G, PRO245H, PRO251G, PRO251H, PRO332G, PRO332H, PRO73G, PRO73H, PRO94G, PRO94H, SER183G, SER183H, SER239G, SER239H, SER255G, SER255H, SER25H, SER54G, SER54H, SER55G, SER55H, SER57G, SER57H, SER87G, SER87H, SER89G, SER89H, SER9G, SER9H, THR10G, THR10H, THR192G, THR192H, THR218H, THR228G, THR228H, THR29G, THR29H, THR335G, THR335H, THR342G, THR342H, THR58G, THR58H, THR70G, THR70H, THR90G, THR90H, THR91H, TRP11G, TRP11H, TRP217G, TRP217H, TRP88G, TRP88H, TYR16G, TYR16H, TYR186G, TYR186H, TYR247G, TYR247H, TYR347G, TYR347H, TYR92G, TYR92H, TYR93G, TYR93H, TYR98G, TYR98H, VAL227G, VAL227H, VAL22G, VAL22H, VAL243G, VAL243H, VAL249G, VAL249H, VAL320G, VAL320H, VAL334G, VAL334H, VAL344G, VAL344H, VAL53G, VAL53H