3CB4

the crystal structure of lepa

• Total interactions analyzed: 15
• Total true interactions: 11
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 117
  • Norm. En. per Res.: -3.3575
• 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
D-C	0.0	0.0	-66.5108	-66.5108	51	6	3	3757	0	0	0
D-E	-56.7272	-58.2863	-245.255	-360.2685	114	20	9	12175	7	39	23
D-F	-45.521	-29.9199	-170.432	-245.8729	76	6	5	6893	4	20	26
A-B	-67.329	-48.2044	-277.294	-392.8274	117	27	9	12352	4	40	23
A-C	-7.5141	-11.4671	-102.075	-121.0562	64	2	3	4895	0	16	20
A-F	-9.7099	0.0	-71.4307	-81.1406	50	10	3	3938	0	0	0
B-C	-15.5502	-85.8596	-120.843	-222.2528	68	0	0	4729	6	34	24
B-F	-31.6473	-22.4984	-172.048	-226.1937	76	12	5	7089	5	20	26
C-E	-26.3355	-20.0501	-144.616	-191.0016	71	7	5	6422	2	19	25
C-F	-70.307	-46.0792	620.223	503.8368	111	25	9	12228	4	37	22
E-F	-14.6406	-66.1975	-120.119	-200.9572	64	1	1	4745	7	33	24

Interface residues

• D-C: ALA413C, ALA413D, ASN417C, ASN417D, ASN431C, ASN431D, ASN437C, CYS422C, CYS422D, GLN412C, GLN412D, GLN429C, GLN429D, GLU424C, GLY416C, GLY416D, GLY427C, GLY427D, GLY436C, GLY436D, ILE419C, ILE419D, LEU415C, LEU415D, LEU421C, LEU421D, LEU441C, LEU441D, MET432C, MET432D, THR420C, THR420D, THR430C, THR430D, THR442D, TYR414C, TYR414D, TYR434C, TYR434D, TYR443C, TYR443D, VAL418C, VAL418D, VAL423C, VAL423D, VAL428C, VAL428D, VAL433C, VAL433D, VAL439C, VAL439D
• D-E: ALA333D, ALA333E, ALA527D, ALA527E, ALA551D, ALA551E, ARG357E, ARG463D, ARG463E, ARG521D, ARG521E, ARG546D, ARG546E, ASN488D, ASN488E, ASN548D, ASN548E, ASP305D, ASP305E, ASP306D, ASP306E, ASP362D, ASP362E, ASP517D, ASP517E, ASP525D, ASP525E, CYS553D, CYS553E, GLN352D, GLN352E, GLN522D, GLN522E, GLN523D, GLN523E, GLN544D, GLN544E, GLU308D, GLU353D, GLU356D, GLU356E, GLU490D, GLU490E, GLY335D, GLY335E, GLY555D, GLY555E, ILE13D, ILE13E, ILE364D, ILE364E, ILE487D, ILE487E, ILE519D, ILE519E, ILE526D, ILE526E, ILE528D, ILE528E, LEU334D, LEU334E, LEU355D, LEU361D, LEU361E, LEU363D, LEU363E, LEU518D, LEU518E, LEU545D, LEU545E, LEU550D, LEU550E, LYS516D, LYS516E, LYS543D, LYS543E, LYS547D, LYS547E, LYS552D, LYS552E, MET515D, MET515E, PHE300D, PHE300E, PHE336D, PHE336E, PHE524D, PHE524E, PRO301D, PRO301E, PRO520D, PRO520E, SER303D, SER303E, SER304D, SER304E, SER331D, SER331E, SER332D, SER332E, THR365D, THR365E, TYR307D, TYR307E, TYR554D, TYR554E, VAL302D, VAL302E, VAL492D, VAL492E, VAL542D, VAL542E, VAL549D, VAL549E
• D-F: ALA163F, ALA527D, ALA530D, ALA531D, ALA538D, ALA65F, ARG160F, ARG23F, ARG247F, ARG501D, ARG507D, ARG509D, ARG539D, ARG546D, ASN503D, ASN506D, ASP134F, ASP171F, ASP22F, ASP479D, ASP502D, ASP62F, CYS161F, CYS28F, GLN170F, GLN26F, GLN505D, GLN529D, GLU174F, GLU510D, GLU513D, GLY166F, GLY168F, GLY29F, GLY30F, GLY508D, GLY533D, HIS500D, HIS535D, ILE24F, ILE25F, ILE27F, ILE528D, ILE532D, ILE536D, ILE537D, LEU135F, LEU173F, LEU20F, LEU61F, LYS164F, LYS243F, LYS516D, LYS543D, LYS64F, SER162F, SER18F, SER504D, SER540D, SER66F, THR165F, THR19F, THR241F, THR499D, THR534D, THR541D, THR70F, TYR63F, VAL159F, VAL167F, VAL169F, VAL172F, VAL245F, VAL481D, VAL483D, VAL512D
• A-B: ALA333A, ALA333B, ALA527A, ALA527B, ALA551A, ALA551B, ARG357A, ARG357B, ARG463A, ARG463B, ARG521A, ARG521B, ARG546A, ARG546B, ASN488A, ASN488B, ASN548A, ASN548B, ASP305A, ASP305B, ASP306A, ASP306B, ASP362A, ASP362B, ASP517A, ASP517B, ASP525A, ASP525B, CYS553A, CYS553B, GLN352A, GLN352B, GLN522A, GLN522B, GLN523A, GLN523B, GLN544A, GLN544B, GLU308A, GLU353B, GLU356A, GLU356B, GLU490A, GLU490B, GLY335A, GLY335B, GLY555A, GLY555B, ILE13A, ILE13B, ILE364A, ILE364B, ILE487A, ILE487B, ILE519A, ILE519B, ILE526A, ILE526B, ILE528A, ILE528B, LEU299A, LEU334A, LEU334B, LEU355B, LEU361A, LEU361B, LEU363A, LEU363B, LEU518A, LEU518B, LEU545A, LEU545B, LEU550A, LEU550B, LYS514B, LYS516A, LYS516B, LYS543A, LYS543B, LYS547A, LYS547B, LYS552A, LYS552B, MET515A, MET515B, PHE300A, PHE300B, PHE336A, PHE336B, PHE524A, PHE524B, PRO301A, PRO301B, PRO520A, PRO520B, SER303A, SER303B, SER304A, SER304B, SER331A, SER331B, SER332A, SER332B, THR365A, THR365B, TYR307A, TYR307B, TYR554A, TYR554B, VAL302A, VAL302B, VAL492A, VAL492B, VAL542A, VAL542B, VAL549A, VAL549B
• A-C: ALA163C, ALA527A, ALA530A, ALA531A, ALA538A, ALA65C, ARG160C, ARG23C, ARG247C, ARG501A, ARG509A, ARG539A, ARG546A, ASN503A, ASN506A, ASP134C, ASP171C, ASP22C, ASP479A, ASP502A, ASP62C, CYS161C, CYS28C, GLN170C, GLN26C, GLN505A, GLN529A, GLU174C, GLU513A, GLY166C, GLY168C, GLY29C, GLY30C, HIS500A, HIS535A, ILE24C, ILE25C, ILE27C, ILE532A, ILE536A, ILE537A, LEU173C, LEU61C, LYS164C, LYS243C, LYS516A, LYS543A, LYS64C, SER162C, SER18C, SER504A, SER540A, SER66C, THR165C, THR241C, THR534A, THR541A, THR70C, TYR63C, VAL167C, VAL169C, VAL172C, VAL481A, VAL512A
• A-F: ALA413A, ALA413F, ASN417A, ASN417F, ASN431A, ASN431F, CYS422A, CYS422F, GLN412A, GLN412F, GLN429A, GLN429F, GLU424A, GLU424F, GLU444A, GLU444F, GLY416A, GLY416F, GLY427A, GLY427F, ILE419A, ILE419F, LEU415A, LEU415F, LEU421A, LEU421F, LEU441A, LEU441F, MET432A, MET432F, THR420A, THR420F, THR430A, THR430F, TYR414A, TYR414F, TYR434A, TYR434F, TYR443A, TYR443F, VAL418A, VAL418F, VAL423A, VAL423F, VAL428A, VAL428F, VAL433A, VAL433F, VAL439A, VAL439F
• B-C: ALA309B, ALA309C, ALA313B, ALA313C, ARG236B, ARG236C, ARG247B, ARG247C, ARG311B, ARG311C, ASN202B, ASN202C, ASP201B, ASP201C, ASP235B, ASP235C, ASP246B, ASP246C, ASP305B, ASP305C, ASP306B, ASP306C, ASP312B, ASP312C, ASP360B, ASP360C, ASP362B, ASP362C, GLN244B, GLN244C, GLU308B, GLU308C, GLY205C, GLY315B, GLY315C, LEU204B, LEU204C, LEU314B, LEU314C, LEU317B, LEU317C, LEU319B, LEU319C, LEU361B, LEU361C, LYS219B, LYS219C, LYS243B, LYS243C, LYS316B, LYS316C, PHE200B, PHE200C, PHE310B, SER318B, SER318C, TRP257B, TRP257C, TYR203B, TYR203C, TYR307B, TYR307C, TYR326B, TYR326C, TYR359B, TYR359C, VAL245B, VAL245C
• B-F: ALA163B, ALA527F, ALA530F, ALA531F, ALA538F, ALA65B, ARG160B, ARG23B, ARG247B, ARG501F, ARG507F, ARG509F, ARG539F, ASN503F, ASN506F, ASP134B, ASP171B, ASP22B, ASP479F, ASP502F, ASP525F, ASP62B, CYS161B, CYS28B, GLN170B, GLN26B, GLN505F, GLN529F, GLU174B, GLU510F, GLU513F, GLU69B, GLY166B, GLY168B, GLY29B, GLY30B, GLY508F, GLY533F, HIS500F, HIS535F, ILE133B, ILE24B, ILE25B, ILE27B, ILE528F, ILE532F, ILE536F, ILE537F, LEU135B, LEU173B, LEU20B, LYS164B, LYS243B, LYS516F, LYS543F, LYS64B, SER162B, SER18B, SER504F, SER540F, SER66B, THR165B, THR19B, THR241B, THR499F, THR534F, THR541F, THR70B, TYR63B, VAL159B, VAL167B, VAL169B, VAL172B, VAL481F, VAL483F, VAL512F
• C-E: ALA163E, ALA527C, ALA530C, ALA531C, ALA538C, ALA65E, ARG160E, ARG23E, ARG247E, ARG501C, ARG507C, ARG509C, ARG539C, ARG546C, ASN503C, ASN506C, ASP134E, ASP171E, ASP22E, ASP479C, ASP502C, ASP62E, CYS161E, CYS28E, GLN170E, GLN26E, GLN505C, GLN529C, GLU510C, GLU513C, GLY166E, GLY168E, GLY29E, GLY30E, GLY508C, GLY533C, HIS500C, HIS535C, ILE133E, ILE24E, ILE25E, ILE27E, ILE532C, ILE536C, ILE537C, LEU173E, LEU20E, LYS164E, LYS243E, LYS516C, LYS543C, LYS64E, SER162E, SER18E, SER504C, SER540C, THR165E, THR19E, THR241E, THR499C, THR534C, THR541C, THR70E, TYR63E, VAL159E, VAL167E, VAL169E, VAL172E, VAL481C, VAL483C, VAL512C
• C-F: ALA333C, ALA333F, ALA527C, ALA527F, ALA551C, ALA551F, ARG357C, ARG357F, ARG521C, ARG521F, ARG546C, ARG546F, ASN488C, ASN488F, ASN548C, ASN548F, ASP305C, ASP305F, ASP306C, ASP306F, ASP362C, ASP362F, ASP517C, ASP517F, ASP525C, ASP525F, CYS553C, CYS553F, GLN352F, GLN522C, GLN522F, GLN523C, GLN523F, GLN544C, GLN544F, GLU308C, GLU308F, GLU353F, GLU356C, GLU356F, GLU490C, GLU490F, GLY335C, GLY335F, GLY555C, GLY555F, ILE364C, ILE364F, ILE487C, ILE487F, ILE519C, ILE519F, ILE526C, ILE526F, ILE528C, ILE528F, LEU334C, LEU334F, LEU355F, LEU361C, LEU361F, LEU363C, LEU363F, LEU518C, LEU518F, LEU545C, LEU545F, LEU550C, LEU550F, LYS516C, LYS516F, LYS543C, LYS543F, LYS547C, LYS547F, LYS552C, LYS552F, MET515C, MET515F, PHE300C, PHE300F, PHE336C, PHE336F, PHE524C, PHE524F, PRO301C, PRO301F, PRO520C, PRO520F, SER303C, SER303F, SER304C, SER304F, SER331C, SER331F, SER332C, SER332F, THR365C, THR365F, TYR307C, TYR307F, TYR554C, TYR554F, VAL302C, VAL302F, VAL492C, VAL492F, VAL542C, VAL542F, VAL549C, VAL549F
• E-F: ALA309E, ALA309F, ALA313E, ALA313F, ARG236E, ARG236F, ARG247E, ARG247F, ARG311E, ARG311F, ASN202E, ASN202F, ASP201E, ASP201F, ASP246E, ASP246F, ASP305E, ASP305F, ASP306E, ASP306F, ASP312E, ASP312F, ASP360E, ASP360F, ASP362F, GLN244E, GLN244F, GLU308E, GLU308F, GLY315E, GLY315F, LEU204E, LEU204F, LEU314E, LEU314F, LEU317E, LEU317F, LEU319E, LEU319F, LEU361E, LEU361F, LYS219E, LYS219F, LYS243E, LYS243F, LYS316E, LYS316F, PHE200E, PHE200F, PHE310F, SER318E, SER318F, TRP257E, TRP257F, TYR203E, TYR203F, TYR307E, TYR307F, TYR326E, TYR326F, TYR359E, TYR359F, VAL245E, VAL245F