1XCT

complex hcv core-fab 19d9d6-protein l mutant (d55a, l57h, y64w) in space group p21212

• Total interactions analyzed: 28
• Total true interactions: 11
• Strongest Interaction:
  • Chains: P-A
  • Int. Res.: 33
  • Norm. En. per Res.: -3.6512
• Hub Node: A(2)

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
P-A	-30.2165	0.0	-90.2718	-120.4883	33	7	2	3758	0	0	5
P-B	-16.9495	-12.7912	-129.584	-159.3247	50	15	1	5054	0	6	2
Q-C	0.0	0.0	-60.091	-60.091	26	6	0	2337	0	0	1
Q-D	-4.4056	0.0	-55.6316	-60.0372	36	15	1	3153	0	0	0
A-B	-15.0895	-7.5753	-464.018	-486.6828	193	26	12	19170	0	14	16
A-L	-39.0998	2.61	-152.189	-188.6788	66	13	1	6306	0	14	16
L-C	0.0	0.0	-0.1112	-0.1112	9	0	0	45	0	3	3
L-M	-6.7137	29.7063	-139.155	-116.1624	64	15	4	6581	1	16	22
C-D	-5.6982	-16.395	-498.44	-520.5331	190	44	13	20362	3	13	18
C-M	-61.1731	-12.2075	-180.444	-253.8246	77	17	1	7323	1	19	22
D-M	0.0	-7.3916	-6.8345	-14.2261	11	0	0	365	1	4	2

Interface residues

• P-A: ALA97A, ARG33A, ARG35A, ARG39P, ASN16P, ASN31A, ASN37A, GLN96A, GLY32P, GLY33P, ILE2A, ILE30P, ILE99A, LEU102A, LEU29A, LEU30A, LEU36P, LEU37P, LYS36A, LYS95A, PRO100A, PRO101A, PRO38P, SER28A, SER32A, THR34A, TRP56A, TYR35P, TYR38A, TYR55A, TYR98A, VAL31P, VAL34P
• P-B: ARG102B, ARG17P, ARG17P9, ARG18P, ARG39P, ARG43P, ASN16P, ASN52B, ASP31B, CB7.15273-36.11266, GLN103B, GLN20P, GLN29P, GLU54B, GLU57B, GLY27P, GLY28P, GLY32P, GLY33P, GLY45P, GLY49B, GLY56B, HIS35B, ILE30P, LEU100B, LEU101B, LEU36P, LEU37P, LEU44P, LEU72B, MET34B, PHE105B, PHE29B, PHE32B, PHE99B, PRO19P, PRO58B, SER33B, THR30B, THR53B, THR55B, THR59B, TRP47B, TRP50B, TYR27B, TYR35P, TYR60B, VAL31P, VAL34P, VAL51B
• Q-C: ALA97C, ARG33C, ARG35C, ASN31C, ASN37C, GLN96C, GLY32Q, GLY33Q, ILE99C, LEU102C, LEU29C, LEU36Q, LEU37Q, LYS36C, LYS95C, PRO100C, PRO101C, PRO38Q, SER32C, THR34C, TRP56C, TYR35Q, TYR38C, TYR98C, VAL31Q, VAL34Q
• Q-D: ARG102D, ASN52D, ASP31D, GLN103D, GLN29Q, GLU54D, GLU57D, GLY26Q, GLY27Q, GLY28Q, GLY32Q, GLY33Q, GLY49D, GLY56D, HIS35D, ILE30Q, LEU100D, LEU101D, MET34D, PHE105D, PHE24Q, PHE32D, PHE99D, PRO25Q, SER33D, THR28D, THR30D, THR53D, THR55D, THR59D, TRP47D, TRP50D, TYR104D, VAL31Q, VAL34Q, VAL51D
• A-B: ALA106A, ALA110B, ALA130B, ALA134B, ALA135B, ALA136A, ALA173B, ALA40A, ALA57A, ALA61B, ALA97A, ALA97B, ARG102B, ARG217A, ARG218B, ARG60A, ARG98B, ASN138B, ASN143A, ASN144A, ASN163A, ASN167A, ASN216A, ASN31A, ASN37A, ASN38B, ASN46B, ASP106B, ASP171A, ASP173A, ASP176A, ASP1A, ASP62B, ASP63B, CYS140A, CYS145B, CYS220A, CYS94A, CYS96B, GLN103B, GLN130A, GLN136B, GLN176B, GLN39B, GLN43A, GLN44A, GLN48A, GLN6B, GLN96A, GLU129A, GLU219A, GLU61A, GLY105A, GLY107A, GLY109B, GLY111B, GLY132B, GLY135A, GLY144B, GLY164A, GLY167B, GLY42B, GLY44B, GLY47A, GLY49B, HIS169B, HIS35B, ILE123A, ILE215B, ILE54A, ILE99A, LEU100B, LEU101B, LEU102A, LEU129B, LEU131A, LEU142A, LEU143B, LEU146B, LEU166A, LEU175B, LEU179B, LEU182B, LEU185A, LEU187A, LEU39A, LEU45B, LEU53A, LYS148B, LYS175A, LYS213A, LYS213B, LYS214B, LYS36A, LYS43B, LYS51A, LYS95A, MET140B, MET181A, MET48B, PHE104A, PHE105B, PHE124A, PHE141A, PHE145A, PHE171B, PHE215A, PHE64B, PHE95B, PHE99B, PRO100A, PRO101A, PRO125A, PRO126A, PRO128B, PRO131B, PRO172B, PRO46A, PRO50A, SER122A, SER125B, SER127A, SER128A, SER133A, SER133B, SER137A, SER165B, SER166B, SER168A, SER174A, SER177A, SER177B, SER180A, SER182A, SER183A, SER183B, SER184B, SER185B, SER214A, SER33B, SER49A, SER62A, THR103A, THR120A, THR132A, THR142B, THR170A, THR170B, THR178A, THR181B, THR184A, THR186A, THR187B, THR34A, THR59A, THR59B, THR93B, TRP108B, TRP159B, TRP169A, TRP193B, TRP36B, TRP41A, TRP47B, TRP50B, TRP56A, TYR104B, TYR127B, TYR179A, TYR180B, TYR192A, TYR38A, TYR42A, TYR55A, TYR60B, TYR92A, TYR93A, TYR98A, VAL107B, VAL121A, VAL126B, VAL138A, VAL139A, VAL141B, VAL147B, VAL165A, VAL168B, VAL174B, VAL186B, VAL216B, VAL37B, VAL52A, VAL91A
• A-L: ALA106A, ALA12A, ALA15A, ALA37L, ALA46L, ALA50L, ALA54L, ARG52L, ARG71A, ASN26L, ASN61L, ASP149A, ASP31L, ASP76A, CYS23A, GLN35L, GLN6A, GLU111A, GLU17A, GLU38L, GLU49L, GLY16A, GLY32L, GLY41L, GLY72A, HIS57L, ILE23L, ILE34L, LEU110A, LEU11A, LEU27L, LEU56L, LEU79A, LYS109A, LYS113A, LYS148A, LYS18A, LYS24A, LYS24L, LYS33L, LYS40L, LYS59L, MET21A, PHE29L, PHE39L, PHE77A, PRO8A, SER10A, SER14A, SER22A, SER5A, SER7A, SER83A, SER9A, THR108A, THR20A, THR22L, THR36L, THR78A, THR80A, TYR53L, VAL13A, VAL19A, VAL25L, VAL60L, VAL84A
• L-C: ASP76C, GLN27C, GLU16L, GLU44L, LYS18L, LYS24C, PRO17L, SER28C, THR75C
• L-M: ALA46L, ALA48L, ALA48M, ALA50L, ALA50M, ALA54L, ALA54M, ALA55L, ALA55M, ALA58L, ALA58M, ALA66L, ALA66M, ARG52L, ARG52M, ASN73L, ASN73M, ASN76L, ASN76M, ASP67L, ASP67M, ASP70L, ASP70M, GLU44L, GLU44M, GLU45L, GLU45M, GLU49L, GLU49M, GLU63L, GLU63M, GLU69L, GLU69M, GLY71L, GLY71M, GLY72L, GLY72M, HIS74L, HIS74M, ILE23L, ILE23M, ILE77L, ILE77M, LEU56M, LEU68L, LEU68M, LYS18L, LYS78L, LYS78M, MET75L, MET75M, PHE43L, PHE43M, THR42L, THR47L, THR47M, THR65L, THR65M, TRP64L, TRP64M, TYR51L, TYR51M, TYR53L, VAL21L
• C-D: ALA106C, ALA110D, ALA130D, ALA134D, ALA135D, ALA136C, ALA173D, ALA40C, ALA57C, ALA61D, ALA97C, ALA97D, ARG102D, ARG218D, ARG98D, ASN138D, ASN143C, ASN144C, ASN167C, ASN216C, ASN37C, ASN38D, ASN46D, ASP106D, ASP171C, ASP173C, ASP176C, ASP1C, ASP62D, ASP63D, CYS140C, CYS145D, CYS220C, CYS94C, CYS96D, GLN103D, GLN130C, GLN136D, GLN172C, GLN176D, GLN39D, GLN43C, GLN44C, GLN48C, GLN6C, GLN6D, GLN96C, GLU129C, GLU219C, GLU61C, GLY105C, GLY107C, GLY109D, GLY111D, GLY132D, GLY134C, GLY135C, GLY144D, GLY149D, GLY164C, GLY167D, GLY42D, GLY44D, GLY47C, GLY49D, HIS169D, HIS35D, ILE123C, ILE215D, ILE54C, ILE99C, LEU100D, LEU101D, LEU102C, LEU129D, LEU131C, LEU142C, LEU143D, LEU146D, LEU166C, LEU175D, LEU179D, LEU182D, LEU185C, LEU187C, LEU39C, LEU45D, LEU4D, LEU53C, LYS148D, LYS175C, LYS213C, LYS213D, LYS36C, LYS43D, LYS51C, LYS95C, MET140D, MET181C, MET48D, PHE104C, PHE105D, PHE124C, PHE141C, PHE145C, PHE171D, PHE215C, PHE64D, PHE95D, PHE99D, PRO100C, PRO101C, PRO125C, PRO126C, PRO128D, PRO131D, PRO172D, PRO46C, PRO50C, SER122C, SER125D, SER127C, SER128C, SER133C, SER133D, SER137C, SER165D, SER166D, SER168C, SER174C, SER177C, SER177D, SER180C, SER182C, SER183C, SER183D, SER184D, SER185D, SER214C, SER49C, SER62C, THR103C, THR120C, THR132C, THR142D, THR170C, THR170D, THR178C, THR181D, THR184C, THR186C, THR187D, THR59C, THR59D, THR93D, TRP108D, TRP159D, TRP169C, TRP193D, TRP36D, TRP41C, TRP47D, TRP50D, TRP56C, TYR104D, TYR127D, TYR179C, TYR180D, TYR38C, TYR42C, TYR55C, TYR60D, TYR92C, TYR93C, TYR98C, VAL107D, VAL121C, VAL126D, VAL138C, VAL139C, VAL141D, VAL147D, VAL165C, VAL168D, VAL174D, VAL186D, VAL211D, VAL37D, VAL52C, VAL91C
• C-M: ALA106C, ALA12C, ALA15C, ALA37M, ALA46M, ALA50M, ALA54M, ALA58M, ARG52M, ARG71C, ASN167C, ASN26M, ASN61M, ASP149C, ASP31M, ASP76C, CYS23C, GLN35M, GLN6C, GLU111C, GLU17C, GLU19M, GLU38M, GLU45M, GLU49M, GLY107C, GLY16C, GLY41M, HIS57M, ILE23M, ILE34M, LEU110C, LEU112C, LEU11C, LEU27M, LEU56M, LEU79C, LYS109C, LYS113C, LYS12M, LYS148C, LYS18C, LYS24C, LYS24M, LYS33M, LYS40M, MET21C, PHE29M, PHE39M, PHE77C, PRO147C, PRO14M, PRO8C, SER10C, SER14C, SER168C, SER22C, SER5C, SER7C, SER9C, THR108C, THR13M, THR20C, THR22M, THR36M, THR78C, TRP169C, TYR146C, TYR179C, TYR53M, VAL13C, VAL19C, VAL21M, VAL25M, VAL3C, VAL60M, VAL84C
• D-M: GLU16M, GLU19M, GLY42D, LYS18M, LYS43D, PRO14M, PRO172D, PRO17M, PRO41D, THR13M, VAL174D