3HA4

crystal structure of the type one membrane protein mix1 from leishmania

• Total interactions analyzed: 28
• Total true interactions: 14
• Strongest Interaction:
  • Chains: C-F
  • Int. Res.: 40
  • Norm. En. per Res.: -4.4053
• Hub Node: A(4)

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-C	-3.6345	-9.3394	-73.1638	-86.1377	43	8	0	3759	3	20	13
A-E	-26.5545	-6.9788	-246.6	-280.1333	97	42	0	11900	4	45	35
A-F	-3.4358	-76.7739	-97.24	-177.4497	50	7	1	4071	4	12	19
A-H	0.0	0.0	-0.0433	-0.0433	2	0	0	14	0	0	0
B-D	-35.5249	19.6681	-292.322	-308.1789	100	19	0	11681	4	45	34
B-F	0.0	9.4422	-1.7948	7.6474	11	0	0	176	0	11	5
B-H	0.0	0.0	-0.0004	-0.0004	2	0	0	1	0	0	0
C-F	-22.0963	-30.7119	-123.403	-176.2112	40	4	0	4417	3	20	27
C-G	-10.436	11.9665	-293.144	-291.6134	101	21	0	12589	0	46	33
E-F	0.0	0.0	-0.0337	-0.0337	2	0	0	13	0	0	0
E-G	0.0	0.0	-0.3579	-0.3579	5	0	0	118	0	0	2
E-H	0.0	-14.7421	-3.697	-18.4391	18	0	0	195	2	8	11
F-G	0.0	-32.3219	-2.0143	-34.3362	11	8	0	535	2	6	3
F-H	-30.2755	-14.0961	-293.097	-337.4686	101	13	0	11234	6	48	33

Interface residues

• A-C: ALA133A, ALA91A, ARG139C, ARG153C, ASN148C, ASN179C, ASN183C, ASP136C, ASP175C, ASP176C, ASP181C, ASP94A, GLN129A, GLU167C, GLU168C, GLU178C, GLU87A, GLU93A, GLY125A, GLY88A, GLY90A, LEU128A, LEU143C, LEU147C, LEU177C, LEU182C, LEU84A, LYS126A, LYS140C, LYS150C, LYS89A, MET144C, MET180C, PRO92A, SER123A, SER124A, SER171C, THR130A, TYR127A, TYR131A, TYR151C, VAL132A, VAL174C
• A-E: ALA173A, ALA173E, ARG161A, ARG161E, ARG72A, ARG72E, ARG81A, ARG81E, ARG86A, ARG86E, ASN158A, ASN158E, ASN163A, ASN163E, ASP109A, ASP109E, ASP156A, ASP156E, ASP165A, ASP165E, ASP175E, ASP176A, ASP176E, GLN118A, GLN118E, GLN80A, GLN80E, GLU115A, GLU115E, GLU167A, GLU167E, GLU168A, GLU168E, GLU87A, GLU87E, GLY159A, GLY159E, GLY160A, GLY160E, GLY88A, HIS79A, HIS79E, ILE112A, ILE112E, ILE169A, ILE169E, ILE170A, ILE170E, LEU111A, LEU111E, LEU114A, LEU114E, LEU77A, LEU77E, LEU78A, LEU78E, LEU84A, LEU84E, LEU85A, LEU85E, LYS121A, LYS121E, LYS164A, LYS164E, LYS89A, LYS89E, MET172A, MET172E, PRO157A, PRO157E, PRO74A, PRO74E, PRO76A, PRO76E, SER123A, SER123E, SER171A, SER171E, THR117A, THR117E, TRP110A, TRP110E, TRP75A, TRP75E, TYR106A, TYR106E, TYR122A, TYR122E, VAL119A, VAL119E, VAL162A, VAL162E, VAL166A, VAL166E, VAL82E, VAL83A, VAL83E
• A-F: ALA91A, ALA91F, ARG71A, ARG71F, ARG72A, ARG72F, ARG81A, ARG81F, ASN68A, ASN68F, ASP69A, ASP69F, ASP94A, ASP94F, GLN101A, GLN101F, GLN80A, GLN80F, GLU93A, GLU93F, GLY88A, GLY88F, GLY90A, GLY90F, ILE95A, LEU77A, LEU77F, LEU78A, LEU78F, LEU84A, LEU84F, LEU85A, LEU85F, LEU97A, LEU97F, LYS89A, LYS89F, MET98A, MET98F, PRO70A, PRO70F, PRO73A, PRO73F, PRO74A, PRO74F, PRO76A, PRO92A, PRO92F, TYR105A, TYR105F
• A-H: MET172H, PRO74A
• B-D: ALA173B, ALA173D, ARG161B, ARG161D, ARG72B, ARG72D, ARG81B, ARG81D, ARG86B, ARG86D, ASN158B, ASN158D, ASN163B, ASN163D, ASP109B, ASP109D, ASP156B, ASP156D, ASP165B, ASP165D, ASP175D, ASP176B, ASP176D, GLN118B, GLN118D, GLN80B, GLN80D, GLU115B, GLU115D, GLU167B, GLU167D, GLU168B, GLU168D, GLU87B, GLU87D, GLY159B, GLY159D, GLY160B, GLY160D, GLY88B, GLY88D, GLY90B, HIS79B, HIS79D, ILE112B, ILE112D, ILE169B, ILE169D, ILE170B, ILE170D, LEU111B, LEU111D, LEU114B, LEU114D, LEU77B, LEU77D, LEU78B, LEU78D, LEU84B, LEU84D, LEU85B, LEU85D, LYS121B, LYS121D, LYS164B, LYS164D, LYS89B, LYS89D, MET172B, MET172D, PRO157B, PRO157D, PRO74B, PRO74D, PRO76B, PRO76D, SER123B, SER123D, SER171B, SER171D, THR117B, THR117D, TRP110B, TRP110D, TRP75B, TRP75D, TYR105D, TYR106B, TYR106D, TYR122B, TYR122D, VAL119B, VAL119D, VAL162B, VAL162D, VAL166B, VAL166D, VAL82D, VAL83B, VAL83D
• B-F: ARG66B, ARG71B, ASN179F, ASN68B, ASP175F, ASP69B, GLN65B, GLU178F, HIS104B, PRO70B, TYR105B
• B-H: GLN65B, GLN80H
• C-F: ALA62F, ARG153C, ARG161C, ARG64F, ARG66F, ARG71F, ARG72F, ASN148C, ASN163C, ASN68F, ASP156C, ASP165C, ASP69F, GLN63F, GLN65F, GLU167C, GLU168C, GLU58F, GLU59F, GLU61F, GLY152C, GLY160C, HIS104F, HIS67F, ILE170C, LEU146C, LEU147C, LYS150C, LYS164C, MET144C, PRO157C, PRO57F, PRO70F, SER155C, TYR105F, TYR151C, VAL149C, VAL154C, VAL162C, VAL166C
• C-G: ALA173C, ALA173G, ARG161C, ARG161G, ARG72C, ARG81C, ARG81G, ARG86C, ARG86G, ASN158C, ASN158G, ASN163C, ASN163G, ASP109C, ASP109G, ASP156C, ASP156G, ASP165C, ASP165G, ASP175C, ASP176C, ASP176G, GLN118C, GLN118G, GLN80C, GLN80G, GLU115C, GLU115G, GLU167C, GLU167G, GLU168C, GLU168G, GLU87C, GLU87G, GLY159C, GLY159G, GLY160C, GLY160G, GLY88C, GLY88G, GLY90C, GLY90G, HIS79C, HIS79G, ILE112C, ILE112G, ILE169C, ILE169G, ILE170C, ILE170G, LEU111C, LEU111G, LEU114C, LEU114G, LEU77C, LEU77G, LEU78C, LEU78G, LEU84C, LEU84G, LEU85C, LEU85G, LYS121C, LYS121G, LYS164C, LYS164G, LYS89C, LYS89G, MET172C, MET172G, PRO157C, PRO157G, PRO74C, PRO74G, PRO76C, PRO76G, SER123C, SER123G, SER171C, SER171G, THR117C, THR117G, TRP110C, TRP110G, TRP75C, TRP75G, TYR105C, TYR106C, TYR106G, TYR122C, TYR122G, VAL119C, VAL119G, VAL162C, VAL162G, VAL166C, VAL166G, VAL82C, VAL82G, VAL83C, VAL83G
• E-F: MET172E, PRO74F
• E-G: ARG71G, ARG72G, LYS126E, PRO70G, PRO74G
• E-H: ASN179H, ASP175E, ASP175H, ASP176H, GLU168E, GLU168H, GLU178H, LYS150E, LYS150H, LYS164E, LYS164H, MET172E, MET172H, SER171E, SER171H, TYR151E, TYR151H, VAL174H
• F-G: ALA62F, ARG161G, ASN163G, GLU55F, GLU58F, GLU59F, GLU61F, GLY160G, LEU56F, LEU60F, PRO57F
• F-H: ALA173F, ALA173H, ARG161F, ARG161H, ARG72F, ARG72H, ARG81F, ARG81H, ARG86F, ARG86H, ASN158F, ASN158H, ASN163F, ASN163H, ASP109F, ASP109H, ASP156F, ASP156H, ASP165F, ASP165H, ASP175F, ASP175H, ASP176F, ASP176H, GLN118F, GLN118H, GLN80F, GLN80H, GLU115F, GLU115H, GLU167F, GLU167H, GLU168F, GLU168H, GLU87F, GLU87H, GLY159F, GLY159H, GLY160F, GLY160H, GLY88F, GLY88H, GLY90F, HIS79F, HIS79H, ILE112F, ILE112H, ILE169F, ILE169H, ILE170F, ILE170H, LEU111F, LEU111H, LEU114F, LEU114H, LEU77F, LEU77H, LEU78F, LEU78H, LEU84F, LEU84H, LEU85F, LEU85H, LYS121F, LYS121H, LYS164F, LYS164H, LYS89F, LYS89H, MET172F, MET172H, PRO157F, PRO157H, PRO74F, PRO74H, PRO76F, PRO76H, SER123F, SER123H, SER171F, SER171H, THR117F, THR117H, TRP110F, TRP110H, TRP75F, TRP75H, TYR106F, TYR106H, TYR122F, TYR122H, VAL119F, VAL119H, VAL162F, VAL162H, VAL166F, VAL166H, VAL82F, VAL82H, VAL83F, VAL83H