1MQL

bha of ukr/63

• Total interactions analyzed: 15
• Total true interactions: 15
• Strongest Interaction:
  • Chains: E-H
  • Int. Res.: 141
  • Norm. En. per Res.: -3.92
• Hub Node: A(5)

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	-176.4812	-90.1607	-71.5769	-338.2188	227	58	26	31880	7	67	56
A-D	-2.9896	2.9472	-111.833	-111.8753	63	12	0	5247	0	5	12
A-E	-2.5262	-19.3827	-71.3163	-93.2252	35	5	0	3166	0	14	13
A-G	-6.1213	0.0	-99.1039	-105.2252	65	15	0	5274	0	4	12
A-H	-8.778	-17.1041	-38.797	-64.6791	47	4	2	2261	0	15	9
B-D	-19.184	-15.2507	-37.8718	-72.3064	49	5	2	2368	1	17	9
B-E	-60.3807	-145.4566	-305.695	-511.5324	142	16	10	13265	19	76	59
B-G	0.0	-20.041	-72.108	-92.149	35	5	0	3396	0	13	13
B-H	-102.768	-139.7938	-291.321	-533.8827	137	20	9	12563	18	77	61
D-E	-281.7105	-60.3585	-81.7351	-423.8042	226	72	30	33443	6	69	58
D-G	-7.6095	1.1335	-104.892	-111.3679	66	14	0	5449	0	6	13
D-H	0.0	-20.0922	-68.0001	-88.0923	39	13	0	3422	0	13	13
E-G	-32.7408	-17.5506	-45.1454	-95.4369	48	13	2	2436	0	16	9
E-H	-78.8144	-156.8716	-317.027	-552.713	141	25	11	13603	18	76	62
G-H	-183.442	-59.7189	-5.99	-249.1509	227	70	26	33376	7	69	58

Interface residues

• A-B: ALA101B, ALA106A, ALA111B, ALA113A, ALA11A, ALA130B, ALA166B, ALA19A, ALA304A, ALA317A, ALA35B, ALA36B, ALA39A, ALA44B, ALA5B, ALA7B, ALA96B, ARG109A, ARG123B, ARG153B, ARG170B, ARG25B, ARG269A, ARG321A, ARG50B, ARG54B, ASN104B, ASN116B, ASN129B, ASN12B, ASN135B, ASN169B, ASN22A, ASN28B, ASN290A, ASN296A, ASN298A, ASN322A, ASN38A, ASN49B, ASN53B, ASN60B, ASN95B, ASP104A, ASP109B, ASP112B, ASP132B, ASP145B, ASP19B, ASP291A, ASP31A, ASP32A, ASP37B, ASP85A, ASP86B, ASP90B, CYS137B, CYS144B, CYS148B, CYS14A, CYS281A, CYS305A, GLN105B, GLN125B, GLN27B, GLN295A, GLN311A, GLN34B, GLN65B, GLU103B, GLU114B, GLU11B, GLU120B, GLU131B, GLU150B, GLU15B, GLU165B, GLU280A, GLU30B, GLU325A, GLU35A, GLU41A, GLU57B, GLU61B, GLU67B, GLU69B, GLU72B, GLU74B, GLU81B, GLU85B, GLU97B, GLY116A, GLY136B, GLY13B, GLY16A, GLY16B, GLY1B, GLY20B, GLY23B, GLY263A, GLY303A, GLY319A, GLY31B, GLY33B, GLY8B, HIS106B, HIS142B, HIS17A, HIS18A, HIS26B, HIS56A, HIS64B, ILE108B, ILE10B, ILE140B, ILE149B, ILE152B, ILE18B, ILE25A, ILE267A, ILE282A, ILE29A, ILE300A, ILE34A, ILE45B, ILE48B, ILE56B, ILE66B, ILE6B, ILE77B, ILE89B, LEU102B, LEU110B, LEU118B, LEU126B, LEU13A, LEU15A, LEU2B, LEU314A, LEU316A, LEU42A, LEU52B, LEU86A, LEU91B, LEU98B, LEU99B, LYS117B, LYS121B, LYS139B, LYS143B, LYS264A, LYS27A, LYS292A, LYS299A, LYS307A, LYS310A, LYS315A, LYS326A, LYS51B, LYS58B, LYS62B, LYS68B, LYS82B, LYS88B, MET115B, MET133B, MET17B, MET268A, MET320A, PHE119B, PHE138B, PHE24B, PHE294A, PHE63B, PHE70B, PHE9B, PRO21A, PRO284A, PRO289A, PRO293A, PRO306A, PRO324A, PRO55A, SER107A, SER110A, SER114A, SER115A, SER265A, SER266A, SER29B, SER40B, SER71B, SER93B, SER9A, THR107B, THR10A, THR122B, THR12A, THR262A, THR28A, THR301A, THR30A, THR313A, THR318A, THR32B, THR37A, THR40A, THR41B, THR59B, THR87B, TRP14B, TRP21B, TRP92B, TYR105A, TYR141B, TYR22B, TYR302A, TYR308A, TYR94B, VAL100B, VAL20A, VAL26A, VAL309A, VAL323A, VAL36A, VAL43A, VAL55B
• A-D: ARG201D, ARG207D, ARG208D, ARG220A, ARG224A, ARG229A, ASN165D, ASN188A, ASN216A, ASN246D, ASN248D, ASP101A, ASP241D, GLN189A, GLN210D, GLN211D, GLN226A, GLY218A, GLY228A, HIS184A, ILE102A, ILE213D, ILE214A, ILE214D, ILE217A, ILE230A, ILE245D, ILE29A, LEU164D, LEU243D, LEU316D, LYS307D, LYS310A, MET168D, PRO103A, PRO185A, PRO215A, PRO221A, PRO227A, PRO99A, SER186A, SER205D, SER209D, SER219A, SER231A, SER247D, THR167D, THR187A, THR203D, THR206D, THR212D, TRP222A, TYR100A, TYR233A, VAL163D, VAL166D, VAL182A, VAL202D, VAL204D, VAL223A, VAL237D, VAL242D, VAL244D
• A-E: ALA44E, ARG321A, ARG50E, ARG54E, ASN49E, ASN53E, ASN60E, ASP31A, ASP32A, ASP46E, GLN33A, GLN47E, GLU103E, GLU61E, HIS106E, ILE29A, ILE34A, ILE48E, LEU102E, LEU110E, LEU314A, LEU52E, LEU99E, LYS27A, LYS310A, LYS51E, LYS58E, LYS62E, THR107E, THR28A, THR30A, THR59E, TRP92E, VAL26A, VAL55E
• A-G: ARG201A, ARG207A, ARG208A, ARG220G, ARG224G, ARG229G, ASN165A, ASN188G, ASN216G, ASN246A, ASN248A, ASP101G, ASP241A, GLN189G, GLN210A, GLN211A, GLY218G, GLY225G, GLY228G, HIS184G, ILE102G, ILE213A, ILE214A, ILE214G, ILE217G, ILE230G, ILE232G, ILE245A, ILE29G, LEU164A, LEU243A, LEU316A, LYS307A, LYS310G, MET168A, PRO103G, PRO185G, PRO215G, PRO221G, PRO227G, PRO99G, SER186G, SER199G, SER205A, SER209A, SER219G, SER231G, SER247A, THR167A, THR187G, THR203A, THR206A, THR212A, TRP222G, TYR100G, TYR233G, VAL163A, VAL166A, VAL182G, VAL202A, VAL204A, VAL223G, VAL237A, VAL242A, VAL244A
• A-H: ALA106A, ARG109A, ARG208A, ARG261A, ARG76H, ASP104A, ASP175A, ASP79H, ASP86H, ASP90H, GLN78H, GLU72H, GLU74H, GLY75H, ILE236A, ILE29A, ILE300A, ILE77H, LEU102H, LEU108A, LEU111A, LEU177A, LEU80H, LEU91H, LYS238A, LYS299A, LYS307A, LYS82H, MET260A, PHE294A, PHE70H, PRO293A, SER107A, SER110A, SER114A, SER115A, SER209A, SER71H, THR262A, THR301A, THR87H, TRP234A, TYR105A, TYR83H, TYR94H, VAL112A, VAL73H
• B-D: ALA106D, ALA113D, ARG109D, ARG208D, ARG261D, ARG76B, ASP104D, ASP175D, ASP79B, ASP86B, ASP90B, GLN78B, GLU72B, GLU74B, GLY75B, ILE236D, ILE29D, ILE300D, ILE77B, LEU102B, LEU108D, LEU111D, LEU177D, LEU80B, LEU91B, LYS238D, LYS299D, LYS307D, LYS82B, MET260D, PHE294D, PHE70B, PRO293D, SER107D, SER110D, SER114D, SER115D, SER209D, SER71B, THR262D, THR301D, THR87B, TRP234D, TYR105D, TYR308D, TYR83B, TYR94B, VAL112D, VAL73B
• B-E: ALA101B, ALA111E, ALA130B, ALA166B, ALA5B, ALA7B, ALA96B, ALA96E, ARG123B, ARG123E, ARG124E, ARG127E, ARG163E, ARG170B, ARG170E, ARG50E, ARG54E, ARG76B, ARG76E, ASN104B, ASN116B, ASN116E, ASN129E, ASN135B, ASN169B, ASN60E, ASN95B, ASN95E, ASP109B, ASP109E, ASP112B, ASP112E, ASP132B, ASP160E, ASP164E, ASP79B, ASP79E, ASP86B, ASP86E, ASP90B, ASP90E, CYS137B, GLN105B, GLN125E, GLN172B, GLN47E, GLN65E, GLN78B, GLN78E, GLU103E, GLU114E, GLU11B, GLU120B, GLU120E, GLU128B, GLU128E, GLU131B, GLU61E, GLU67E, GLU69E, GLU72E, GLU74E, GLU81B, GLU81E, GLU85B, GLU85E, GLU97B, GLY134B, GLY136B, GLY1B, GLY4B, GLY75B, GLY75E, GLY8B, HIS106B, HIS106E, HIS159E, HIS64E, ILE108E, ILE10B, ILE66B, ILE66E, ILE6B, ILE77B, ILE77E, ILE89B, ILE89E, LEU102B, LEU102E, LEU110E, LEU167E, LEU2B, LEU2E, LEU80B, LEU80E, LEU91B, LEU91E, LEU98B, LEU98E, LEU99E, LYS117E, LYS121E, LYS139B, LYS39E, LYS51E, LYS58E, LYS62E, LYS68E, LYS82B, LYS82E, LYS88B, LYS88E, MET133B, PHE119B, PHE138B, PHE171B, PHE171E, PHE3B, PHE3E, PHE63E, PHE70E, PHE9B, SER113B, SER113E, SER71E, SER93B, SER93E, THR107E, THR87B, THR87E, TRP92B, TRP92E, TYR141B, TYR83B, TYR83E, TYR94B, TYR94E, VAL100B, VAL100E, VAL55E, VAL84B, VAL84E
• B-G: ARG321G, ARG50B, ARG54B, ASN104B, ASN49B, ASN53B, ASN60B, ASP31G, ASP32G, ASP46B, GLN33G, GLN47B, GLU103B, GLU61B, HIS106B, ILE29G, ILE34G, ILE48B, LEU102B, LEU110B, LEU314G, LEU52B, LEU99B, LYS27G, LYS310G, LYS51B, LYS58B, LYS62B, THR107B, THR28G, THR30G, THR59B, TRP92B, VAL26G, VAL55B
• B-H: ALA101H, ALA111B, ALA130H, ALA5H, ALA7H, ALA96B, ARG123B, ARG123H, ARG124B, ARG127B, ARG163B, ARG170B, ARG170H, ARG54B, ARG76B, ARG76H, ASN104H, ASN116B, ASN116H, ASN135H, ASN168B, ASN169H, ASN60B, ASN95B, ASN95H, ASP109B, ASP109H, ASP112B, ASP112H, ASP132H, ASP160B, ASP164B, ASP79B, ASP79H, ASP86B, ASP86H, ASP90B, ASP90H, CYS137H, GLN105H, GLN125B, GLN172H, GLN47B, GLN65B, GLN78B, GLN78H, GLU103B, GLU114B, GLU120B, GLU120H, GLU128B, GLU128H, GLU131H, GLU61B, GLU67B, GLU69B, GLU72B, GLU74B, GLU81B, GLU81H, GLU85B, GLU85H, GLU97H, GLY134H, GLY136H, GLY1H, GLY4H, GLY75B, GLY75H, GLY8H, HIS106B, HIS106H, HIS159B, HIS64B, ILE10H, ILE66B, ILE66H, ILE6H, ILE77B, ILE77H, ILE89B, ILE89H, LEU102B, LEU102H, LEU110B, LEU167B, LEU167H, LEU2B, LEU2H, LEU80B, LEU80H, LEU91B, LEU91H, LEU98B, LEU98H, LEU99B, LYS117B, LYS121B, LYS139H, LYS51B, LYS58B, LYS62B, LYS68B, LYS82B, LYS82H, LYS88B, LYS88H, MET133H, PHE119H, PHE138H, PHE171B, PHE171H, PHE3B, PHE3H, PHE63B, PHE70B, PHE9H, SER113B, SER113H, SER71B, SER93B, SER93H, THR107B, THR87B, THR87H, TRP92B, TRP92H, TYR141H, TYR83B, TYR83H, TYR94B, TYR94H, VAL100B, VAL100H, VAL55B, VAL84B, VAL84H
• D-E: ALA101E, ALA106D, ALA111E, ALA113D, ALA11D, ALA130E, ALA166E, ALA19D, ALA304D, ALA317D, ALA35E, ALA36E, ALA39D, ALA44E, ALA5E, ALA7E, ALA96E, ARG109D, ARG123E, ARG153E, ARG170E, ARG25E, ARG269D, ARG321D, ARG54E, ASN104E, ASN116E, ASN129E, ASN12E, ASN135E, ASN169E, ASN22D, ASN28E, ASN290D, ASN296D, ASN298D, ASN322D, ASN38D, ASN49E, ASN53E, ASN60E, ASN95E, ASP104D, ASP109E, ASP112E, ASP145E, ASP19E, ASP291D, ASP31D, ASP32D, ASP37E, ASP85D, ASP86E, ASP90E, CYS137E, CYS144E, CYS148E, CYS14D, CYS281D, CYS305D, GLN105E, GLN125E, GLN172E, GLN27E, GLN295D, GLN311D, GLN34E, GLN65E, GLU103E, GLU114E, GLU11E, GLU120E, GLU131E, GLU150E, GLU15E, GLU165E, GLU280D, GLU30E, GLU325D, GLU35D, GLU41D, GLU57E, GLU61E, GLU67E, GLU69E, GLU72E, GLU74E, GLU81E, GLU85E, GLU97E, GLY116D, GLY136E, GLY13E, GLY16D, GLY16E, GLY1E, GLY20E, GLY23E, GLY263D, GLY303D, GLY319D, GLY31E, GLY33E, GLY8E, HIS106E, HIS142E, HIS17D, HIS18D, HIS26E, HIS56D, HIS64E, ILE108E, ILE10E, ILE140E, ILE149E, ILE152E, ILE18E, ILE25D, ILE267D, ILE282D, ILE29D, ILE300D, ILE34D, ILE45E, ILE48E, ILE56E, ILE66E, ILE6E, ILE77E, ILE89E, LEU102E, LEU110E, LEU118E, LEU126E, LEU13D, LEU15D, LEU2E, LEU314D, LEU316D, LEU42D, LEU52E, LEU86D, LEU91E, LEU98E, LEU99E, LYS117E, LYS121E, LYS139E, LYS143E, LYS264D, LYS27D, LYS292D, LYS299D, LYS307D, LYS310D, LYS315D, LYS326D, LYS51E, LYS58E, LYS62E, LYS68E, LYS82E, LYS88E, MET115E, MET133E, MET17E, MET268D, MET320D, PHE119E, PHE138E, PHE24E, PHE294D, PHE63E, PHE70E, PHE9E, PRO21D, PRO284D, PRO289D, PRO293D, PRO306D, PRO324D, PRO55D, SER110D, SER114D, SER115D, SER265D, SER266D, SER29E, SER40E, SER71E, SER93E, SER9D, THR107E, THR10D, THR122E, THR12D, THR262D, THR28D, THR301D, THR30D, THR313D, THR318D, THR32E, THR37D, THR40D, THR41E, THR59E, THR87E, TRP14E, TRP21E, TRP92E, TYR105D, TYR141E, TYR157E, TYR22E, TYR302D, TYR308D, TYR94E, VAL100E, VAL20D, VAL26D, VAL309D, VAL323D, VAL36D, VAL43D, VAL55E
• D-G: ARG201G, ARG207G, ARG208G, ARG220D, ARG224D, ARG229D, ASN165G, ASN188D, ASN216D, ASN246G, ASN248G, ASP101D, ASP241G, GLN189D, GLN210G, GLN211G, GLN226D, GLY218D, GLY225D, GLY228D, HIS184D, ILE102D, ILE213D, ILE213G, ILE214D, ILE214G, ILE217D, ILE230D, ILE232D, ILE245G, ILE29D, LEU164G, LEU243G, LEU316G, LYS307G, LYS310D, MET168G, PRO103D, PRO185D, PRO215D, PRO221D, PRO227D, PRO99D, SER186D, SER205G, SER209G, SER219D, SER231D, SER247G, THR167G, THR187D, THR203G, THR206G, THR212G, TRP222D, TYR100D, TYR233D, VAL163G, VAL166G, VAL182D, VAL202G, VAL204G, VAL223D, VAL237G, VAL242G, VAL244G
• D-H: ALA44H, ARG127H, ARG321D, ARG50H, ARG54H, ASN104H, ASN49H, ASN53H, ASN60H, ASP31D, ASP32D, ASP46H, GLN311D, GLN33D, GLN47H, GLU103H, GLU57H, GLU61H, HIS106H, ILE29D, ILE34D, ILE48H, LEU102H, LEU110H, LEU314D, LEU52H, LEU99H, LYS27D, LYS310D, LYS51H, LYS58H, LYS62H, THR107H, THR12D, THR28D, THR30D, TRP92H, VAL26D, VAL55H
• E-G: ALA106G, ARG109G, ARG208G, ARG261G, ARG76E, ASP104G, ASP175G, ASP79E, ASP86E, ASP90E, GLN78E, GLU72E, GLU74E, GLY75E, ILE236G, ILE29G, ILE300G, ILE77E, LEU102E, LEU108G, LEU111G, LEU177G, LEU80E, LEU91E, LYS238G, LYS299G, LYS307G, LYS82E, MET260G, PHE294G, PHE70E, PRO293G, SER107G, SER110G, SER114G, SER115G, SER209G, SER71E, THR262G, THR301G, THR87E, TRP234G, TYR105G, TYR308G, TYR83E, TYR94E, VAL112G, VAL73E
• E-H: ALA101E, ALA111H, ALA130E, ALA5E, ALA7E, ALA96H, ARG123E, ARG123H, ARG124H, ARG127H, ARG163H, ARG170E, ARG170H, ARG50H, ARG54H, ARG76E, ARG76H, ASN104E, ASN116E, ASN116H, ASN129H, ASN135E, ASN168E, ASN169E, ASN60H, ASN95E, ASN95H, ASP109E, ASP109H, ASP112E, ASP112H, ASP132E, ASP160H, ASP164H, ASP79E, ASP79H, ASP86E, ASP86H, ASP90E, ASP90H, CYS137E, GLN105E, GLN125H, GLN172E, GLN47H, GLN65H, GLN78E, GLN78H, GLU103H, GLU114H, GLU120E, GLU120H, GLU128E, GLU128H, GLU131E, GLU61H, GLU67H, GLU69H, GLU72H, GLU74H, GLU81E, GLU81H, GLU85E, GLU85H, GLU97E, GLY134E, GLY136E, GLY1E, GLY4E, GLY75E, GLY75H, GLY8E, HIS106E, HIS106H, HIS159H, HIS64H, ILE108H, ILE10E, ILE66E, ILE66H, ILE6E, ILE77E, ILE77H, ILE89E, ILE89H, LEU102E, LEU102H, LEU110H, LEU167E, LEU167H, LEU2E, LEU2H, LEU80E, LEU80H, LEU91E, LEU91H, LEU98E, LEU98H, LEU99H, LYS117H, LYS121H, LYS139E, LYS39H, LYS51H, LYS58H, LYS62H, LYS68H, LYS82E, LYS82H, LYS88E, LYS88H, MET133E, PHE119E, PHE138E, PHE171E, PHE171H, PHE3E, PHE3H, PHE63H, PHE70H, PHE9E, SER113E, SER113H, SER71H, SER93E, SER93H, THR107H, THR87E, THR87H, TRP92E, TRP92H, TYR141E, TYR83E, TYR83H, TYR94E, TYR94H, VAL100E, VAL100H, VAL55H, VAL84E, VAL84H
• G-H: ALA101H, ALA106G, ALA111H, ALA113G, ALA11G, ALA130H, ALA166H, ALA19G, ALA304G, ALA317G, ALA35H, ALA36H, ALA39G, ALA44H, ALA5H, ALA7H, ALA96H, ARG109G, ARG123H, ARG153H, ARG170H, ARG25H, ARG269G, ARG321G, ARG54H, ASN104H, ASN116H, ASN129H, ASN12H, ASN135H, ASN168H, ASN169H, ASN22G, ASN28H, ASN290G, ASN296G, ASN298G, ASN322G, ASN38G, ASN49H, ASN53H, ASN60H, ASN95H, ASP109H, ASP112H, ASP132H, ASP145H, ASP19H, ASP291G, ASP31G, ASP32G, ASP37H, ASP85G, ASP86H, ASP90H, CYS137H, CYS144H, CYS148H, CYS14G, CYS281G, CYS305G, GLN105H, GLN125H, GLN172H, GLN27H, GLN295G, GLN311G, GLN34H, GLN65H, GLU103H, GLU114H, GLU11H, GLU120H, GLU131H, GLU150H, GLU15H, GLU165H, GLU280G, GLU325G, GLU35G, GLU41G, GLU57H, GLU61H, GLU67H, GLU69H, GLU72H, GLU74H, GLU81H, GLU85H, GLU97H, GLY136H, GLY13H, GLY16G, GLY16H, GLY1H, GLY20H, GLY23H, GLY263G, GLY303G, GLY319G, GLY31H, GLY33H, GLY8H, HIS106H, HIS142H, HIS17G, HIS18G, HIS26H, HIS56G, HIS64H, ILE108H, ILE10H, ILE140H, ILE149H, ILE152H, ILE18H, ILE25G, ILE267G, ILE282G, ILE29G, ILE300G, ILE34G, ILE45H, ILE48H, ILE56H, ILE66H, ILE6H, ILE77H, ILE89H, LEU102H, LEU110H, LEU111G, LEU118H, LEU126H, LEU13G, LEU15G, LEU2H, LEU314G, LEU316G, LEU42G, LEU52H, LEU86G, LEU91H, LEU98H, LEU99H, LYS117H, LYS121H, LYS139H, LYS143H, LYS264G, LYS27G, LYS292G, LYS299G, LYS307G, LYS310G, LYS315G, LYS326G, LYS51H, LYS58H, LYS62H, LYS68H, LYS82H, LYS88H, MET115H, MET133H, MET17H, MET268G, MET320G, PHE119H, PHE138H, PHE24H, PHE294G, PHE63H, PHE70H, PHE9H, PRO21G, PRO284G, PRO289G, PRO293G, PRO306G, PRO324G, SER107G, SER110G, SER114G, SER115G, SER265G, SER266G, SER270G, SER29H, SER40H, SER71H, SER93H, SER9G, THR107H, THR10G, THR122H, THR12G, THR24G, THR28G, THR301G, THR30G, THR313G, THR318G, THR32H, THR37G, THR40G, THR41H, THR59H, THR87H, TRP14H, TRP21H, TRP92H, TYR105G, TYR141H, TYR22H, TYR302G, TYR308G, TYR94H, VAL100H, VAL112G, VAL20G, VAL26G, VAL309G, VAL323G, VAL36G, VAL43G, VAL55H