1TU3

crystal structure of rab5 complex with rabaptin5 c-terminal domain

• Total interactions analyzed: 45
• Total true interactions: 22
• Strongest Interaction:
  • Chains: D-H
  • Int. Res.: 34
  • Norm. En. per Res.: -2.9307
• Hub Node: B(7)

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	0.0	-4.9607	-0.4541	-5.4148	6	0	0	75	0	3	2
A-F	-9.688	0.0	-120.043	-129.731	55	2	2	5078	0	8	10
A-G	0.0	-18.6432	-53.3759	-72.0191	38	4	2	2569	1	10	9
B-C	-12.0986	1.3582	-104.076	-114.8164	44	8	0	4120	0	6	12
B-D	0.0	0.0	-0.0049	-0.0049	3	0	0	4	0	3	2
B-E	0.0	0.0	-20.9985	-20.9985	19	1	0	1171	0	6	6
B-F	-5.5855	-32.4605	-69.2782	-107.3242	39	7	3	3160	3	9	9
B-G	-18.9552	1.2103	-104.336	-122.0809	51	7	2	4671	0	8	9
B-H	0.0	-19.7078	-29.7073	-49.4151	28	2	0	1725	1	15	13
B-I	0.0	0.0	-0.0675	-0.0675	3	0	0	18	0	3	0
C-E	0.0	0.0	-8.7805	-8.7805	20	0	0	643	0	4	8
C-F	0.0	0.0	-0.1677	-0.1677	7	0	0	32	0	2	1
C-G	-11.0365	-24.6894	-38.5262	-74.2521	35	4	0	2306	2	16	13
C-H	-6.3854	0.0	-116.014	-122.3994	55	8	2	4805	0	8	10
C-I	0.0	-25.7361	-64.7533	-90.4895	37	1	2	2935	2	7	9
D-H	-13.0172	-30.2319	-56.3935	-99.6427	34	1	2	2707	1	7	7
D-I	-3.4196	1.0938	-111.715	-114.0408	55	5	2	4517	0	6	9
E-G	-12.0921	-21.1114	-40.4332	-73.6367	29	5	0	1640	2	9	10
E-J	-15.0656	1.1226	-107.146	-121.089	55	3	2	4645	0	8	9
F-G	-2.8774	25.4748	-281.576	-258.9787	92	17	15	12665	0	19	28
G-J	0.0	-9.2931	-3.0305	-12.3236	9	0	0	211	1	2	4
H-I	-7.7455	18.1372	-241.338	-230.9464	87	30	16	11657	0	13	22

Interface residues

• A-C: ARG81A, ASN155C, ASP153C, ASP154C, GLN79A, SER156C
• A-F: ALA55A, ALA56A, ALA86A, ARG819F, ARG81A, ARG834F, ARG836F, ARG843F, ARG91A, ASP75A, ASP820F, GLN20A, GLN44A, GLN60A, GLN816F, GLN818F, GLN826F, GLN829F, GLN831F, GLN837F, GLU72A, GLU815F, GLU833F, GLY54A, ILE53A, ILE73A, LEU58A, LEU824F, LEU828F, LEU832F, LEU85A, LYS22A, LYS42A, LYS70A, LYS823F, MET88A, PHE57A, PHE71A, PHE821F, PRO87A, SER825F, SER84A, THR52A, THR59A, THR61A, THR76A, THR827F, TRP74A, TYR82A, TYR89A, TYR90A, VAL37A, VAL41A, VAL822F, VAL830F
• A-G: ALA55A, ALA56A, ALA77A, ARG819G, ARG81A, ASN849G, ASP812G, ASP820G, GLN44A, GLN79A, GLN816G, GLN818G, GLU50A, GLU80A, GLU810G, GLY54A, HIS83A, ILE53A, LEU824G, LEU828G, LEU848G, LEU85A, LYS42A, LYS823G, LYS852G, MET88A, PHE57A, PHE821G, SER814G, SER84A, THR52A, THR76A, THR851G, TRP74A, TYR82A, TYR89A, VAL813G, VAL817G
• B-C: ALA122B, ALA122C, ALA86B, ALA86C, ARG120B, ARG120C, ARG91B, ARG91C, ASN125B, ASN125C, GLN119B, GLN119C, GLN121B, GLN121C, GLU117B, GLU117C, GLY92B, GLY92C, HIS83B, HIS83C, ILE126B, ILE126C, ILE128C, LEU118B, LEU118C, LEU85B, LEU85C, LYS116C, LYS22B, MET88B, MET88C, PRO124B, PRO124C, PRO87B, PRO87C, SER123B, SER123C, SER84B, SER84C, TYR82C, TYR89B, TYR89C, TYR90B, TYR90C
• B-D: ARG81D, ASP154B, SER156B
• B-E: ALA164E, ARG39E, ASN169E, ASN171E, CYS19B, GLN20B, GLU161E, GLU172E, ILE18B, LYS165E, LYS17B, LYS70B, MET168E, PHE45E, SER163E, SER167E, THR166E, THR68B, VAL170E
• B-F: ALA55B, ALA56B, ALA77B, ALA86B, ARG819F, ARG81B, ASN849F, ASP812F, ASP820F, GLN44B, GLN79B, GLN816F, GLN818F, GLU80B, GLU810F, GLY54B, HIS83B, ILE53B, LEU824F, LEU828F, LEU848F, LEU85B, LYS42B, LYS823F, MET88B, PHE57B, PHE821F, SER814F, SER825F, SER84B, THR52B, THR76B, THR827F, TRP74B, TYR82B, TYR89B, VAL813F, VAL817F, VAL822F
• B-G: ALA55B, ALA56B, ALA86B, ARG819G, ARG81B, ARG834G, ARG836G, ARG91B, ASP75B, ASP820G, GLN60B, GLN818G, GLN826G, GLN829G, GLN831G, GLN837G, GLU72B, GLU815G, GLU833G, GLY54B, ILE53B, ILE73B, LEU38B, LEU58B, LEU828G, LEU832G, LEU85B, LYS22B, LYS42B, LYS70B, LYS823G, MET88B, PHE57B, PHE71B, PHE821G, PRO87B, SER825G, SER84B, THR52B, THR59B, THR61B, THR76B, THR827G, TRP74B, TYR82B, TYR89B, TYR90B, VAL37B, VAL41B, VAL822G, VAL830G
• B-H: ALA109B, ALA122B, ARG120B, ARG806H, ARG819H, ASN113B, ASN125B, ASN155B, ASP154B, ASP812H, GLN119B, GLN121B, GLN808H, GLN816H, GLN818H, GLU117B, GLU815H, LEU118B, LEU811H, LYS112B, LYS116B, LYS823H, PRO124B, SER156B, THR809H, TYR151B, VAL115B, VAL813H
• B-I: GLU810I, LEU807I, LYS116B
• C-E: ALA30E, ASN104E, ASN125C, ASN139E, ASN184C, ASP101E, CYS19C, GLN20C, GLN94C, GLU47E, LEU137E, LYS134E, LYS140E, LYS165E, LYS183C, PHE48E, PRO182C, SER29E, THR103E, VAL31E
• C-F: ARG120C, ARG806F, ASN113C, GLU810F, LEU807F, LYS116C, SER814F
• C-G: ALA109C, ARG120C, ARG819G, ASN113C, ASN155C, ASP153C, ASP154C, ASP812G, GLN119C, GLN121C, GLN805G, GLN808G, GLN816G, GLN818G, GLN826G, GLU105C, GLU117C, GLU147C, GLU815G, ILE128C, LEU118C, LEU157C, LEU811G, LYS112C, LYS116C, LYS823G, PHE108C, PRO124C, SER156C, SER814G, THR809G, TYR151C, VAL115C, VAL813G, VAL822G
• C-H: ALA55C, ALA56C, ALA86C, ARG819H, ARG81C, ARG834H, ARG836H, ARG91C, ASP75C, ASP820H, GLN44C, GLN60C, GLN816H, GLN818H, GLN826H, GLN829H, GLN831H, GLN837H, GLU72C, GLU815H, GLU833H, GLY54C, ILE53C, ILE73C, LEU38C, LEU58C, LEU824H, LEU828H, LEU832H, LEU85C, LYS22C, LYS42C, LYS70C, LYS823H, MET88C, PHE57C, PHE71C, PHE821H, PRO87C, SER814H, SER825H, SER84C, THR52C, THR59C, THR61C, THR76C, THR827H, TRP74C, TYR82C, TYR89C, TYR90C, VAL41C, VAL817H, VAL822H, VAL830H
• C-I: ALA55C, ALA56C, ALA77C, ALA86C, ARG819I, ARG81C, ASN849I, ASP820I, GLN44C, GLN79C, GLN816I, GLN818I, GLU80C, GLY54C, HIS83C, ILE53C, LEU824I, LEU828I, LEU848I, LEU85C, LYS42C, LYS823I, MET88C, PHE57C, PHE821I, SER814I, SER825I, SER84C, THR52C, THR76C, THR827I, TRP74C, TYR82C, TYR89C, VAL813I, VAL817I, VAL822I
• D-H: ALA55D, ALA56D, ALA77D, ARG819H, ARG81D, ASN849H, ASP820H, GLN44D, GLN79D, GLN816H, GLN818H, GLU80D, GLU810H, GLY54D, HIS83D, ILE53D, LEU824H, LEU828H, LEU85D, LYS42D, LYS823H, MET88D, PHE57D, PHE821H, SER814H, SER84D, THR52D, THR76D, TRP74D, TYR82D, TYR89D, VAL813H, VAL817H, VAL822H
• D-I: ALA55D, ALA56D, ALA86D, ARG819I, ARG81D, ARG834I, ARG836I, ARG91D, ASP75D, ASP820I, GLN60D, GLN816I, GLN818I, GLN826I, GLN829I, GLN831I, GLN837I, GLU72D, GLU815I, GLU833I, GLY54D, ILE53D, ILE73D, ILE835I, LEU38D, LEU58D, LEU811I, LEU824I, LEU828I, LEU832I, LEU85D, LYS22D, LYS42D, LYS823I, MET88D, PHE57D, PHE821I, PRO87D, SER825I, SER84D, THR52D, THR59D, THR61D, THR76D, THR827I, TRP74D, TYR82D, TYR89D, TYR90D, VAL24D, VAL37D, VAL41D, VAL817I, VAL822I, VAL830I
• E-G: ALA846G, ARG39E, ARG834G, ARG843G, ARG845G, ASN849G, ASP850G, GLN44E, GLN60E, GLN831G, GLU47E, GLU842G, GLY43E, HIS46E, ILE844G, ILE847G, LEU38E, LEU58E, LEU848G, LYS42E, LYS852G, PHE40E, PHE45E, PHE48E, SER840G, THR59E, THR61E, THR851G, VAL41E
• E-J: ALA55E, ALA56E, ALA86E, ARG819J, ARG81E, ARG834J, ARG836J, ARG91E, ASP75E, ASP820J, GLN60E, GLN816J, GLN818J, GLN826J, GLN829J, GLN831J, GLN837J, GLU72E, GLU815J, GLU833J, GLY54E, ILE53E, ILE73E, LEU38E, LEU58E, LEU811J, LEU824J, LEU828J, LEU832J, LEU853J, LEU85E, LYS22E, LYS42E, LYS70E, LYS823J, MET88E, PHE57E, PHE71E, PHE821J, PRO87E, SER825J, SER84E, THR52E, THR59E, THR61E, THR76E, THR827J, TRP74E, TYR82E, TYR89E, TYR90E, VAL37E, VAL41E, VAL822J, VAL830J
• F-G: ALA804F, ALA804G, ALA838F, ALA838G, ARG806F, ARG806G, ARG819F, ARG819G, ARG834F, ARG834G, ARG836F, ARG836G, ARG843F, ARG843G, ARG845F, ARG845G, ASN849F, ASN849G, ASP812F, ASP812G, ASP820F, ASP820G, ASP839F, ASP839G, GLN805F, GLN805G, GLN808F, GLN808G, GLN816F, GLN816G, GLN818F, GLN818G, GLN826F, GLN826G, GLN829F, GLN829G, GLN831F, GLN831G, GLN837F, GLN837G, GLU810F, GLU810G, GLU815F, GLU815G, GLU833F, GLU833G, GLU842F, GLU842G, ILE835F, ILE835G, ILE844F, ILE844G, ILE847F, ILE847G, LEU807F, LEU807G, LEU811F, LEU811G, LEU824F, LEU824G, LEU828F, LEU828G, LEU832F, LEU832G, LEU841F, LEU841G, LEU848F, LEU848G, LYS803G, LYS823F, LYS823G, LYS852G, PHE821F, PHE821G, SER814F, SER814G, SER825F, SER825G, SER840F, SER840G, THR809F, THR809G, THR827F, THR827G, VAL813F, VAL813G, VAL817F, VAL817G, VAL822F, VAL822G, VAL830F, VAL830G
• G-J: ALA838J, ALA846G, ARG836J, ARG843G, ARG845G, ASP839J, GLN837J, GLU833J, GLU842G
• H-I: ALA804I, ALA838H, ALA838I, ALA846I, ARG806H, ARG806I, ARG819H, ARG819I, ARG834I, ARG836H, ARG836I, ARG843H, ARG843I, ARG845H, ARG845I, ASN849H, ASN849I, ASP812H, ASP812I, ASP820H, ASP820I, ASP839H, ASP850I, GLN805I, GLN808H, GLN808I, GLN816H, GLN816I, GLN818H, GLN818I, GLN826H, GLN826I, GLN829H, GLN829I, GLN831H, GLN831I, GLN837H, GLN837I, GLU810H, GLU810I, GLU815H, GLU815I, GLU833H, GLU833I, GLU842H, GLU842I, ILE835H, ILE835I, ILE844H, ILE844I, ILE847H, ILE847I, LEU807H, LEU807I, LEU811H, LEU811I, LEU824H, LEU824I, LEU828H, LEU828I, LEU832H, LEU832I, LEU841H, LEU841I, LEU848H, LEU848I, LYS823H, LYS823I, PHE821H, PHE821I, SER814H, SER814I, SER825H, SER825I, SER840H, THR809H, THR809I, THR827H, THR827I, VAL813H, VAL813I, VAL817H, VAL817I, VAL822H, VAL822I, VAL830H, VAL830I