1MK9

crystal structure of an integrin beta3-talin chimera

• Total interactions analyzed: 28
• Total true interactions: 13
• Strongest Interaction:
  • Chains: A-D
  • Int. Res.: 40
  • Norm. En. per Res.: -5.113
• Hub Node: B(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
A-B	-18.2627	0.0	-1.3991	-19.6618	23	23	5	2863	0	2	4
A-D	-40.2363	0.0	-164.282	-204.5183	40	13	2	5321	0	6	5
B-C	-20.6003	2.5346	-160.404	-178.4697	43	3	2	5423	0	8	8
B-D	-13.6409	-6.5159	-59.1641	-79.3209	58	12	0	2903	1	28	13
B-H	-17.0918	-5.978	-34.1428	-57.2126	40	4	0	1813	1	17	11
C-D	-10.5785	0.0	-18.6578	-29.2363	24	21	5	2894	0	2	3
D-F	-12.8968	-16.716	-39.2525	-68.8653	57	12	0	2834	0	33	36
D-H	0.0	15.8522	-40.7735	-24.9213	64	1	0	2626	0	43	34
E-F	-11.6714	0.0	-9.1769	-20.8483	27	25	5	3184	0	2	4
E-H	-37.2281	2.68	-157.68	-192.2281	43	10	2	5161	0	8	9
F-G	-25.8601	1.8085	-174.291	-198.3426	43	6	2	5568	0	8	8
F-H	-18.9969	1.6977	-53.7569	-71.0561	63	6	0	2932	1	27	14
G-H	-8.3047	0.0	-5.0408	-13.3456	25	23	5	2933	0	2	4

Interface residues

• A-B: ALA750A, ARG297B, ARG303B, ASN213B, ASN743A, ASN744A, GLN211B, GLU293B, GLU749A, ILE292B, LEU212B, LEU214B, LEU215B, LEU746A, LYS295B, LYS300B, LYS748A, PRO209B, PRO745A, TYR747A, VAL210B, VAL296B, VAL299B
• A-D: ALA360D, ALA361D, ALA389D, ALA393D, ALA742A, ARG358D, ASN355D, ASN743A, ASN744A, ASP369D, ASP372D, ASP397D, ASP740A, GLY371D, ILE356D, ILE392D, ILE396D, ILE399D, LEU353D, LEU368D, LEU400D, LEU746A, LYS357D, LYS748A, MET738A, PHE366D, PHE370D, PRO363D, PRO745A, SER352D, SER362D, SER379D, THR354D, THR367D, THR741A, TRP359D, TRP739A, TYR377D, TYR378D, TYR747A
• B-C: ALA360B, ALA361B, ALA389B, ALA393B, ALA742C, ARG358B, ASN355B, ASN743C, ASN744C, ASP369B, ASP372B, ASP397B, ASP740C, GLY371B, HIS737C, ILE356B, ILE392B, ILE396B, LEU353B, LEU368B, LEU746C, LYS357B, LYS748C, MET738C, PHE366B, PHE370B, PRO363B, PRO745C, SER352B, SER362B, SER365B, SER379B, SER736C, THR354B, THR367B, THR741C, TRP359B, TRP739C, TYR373B, TYR377B, TYR378B, TYR747C, VAL380B
• B-D: ARG297B, ARG297D, ARG303B, ARG303D, ASN355B, ASN355D, ASP369B, ASP369D, ASP372B, ASP372D, ASP375D, GLN211B, GLN374B, GLN374D, GLU293B, GLU335B, GLU335D, GLU350D, GLY371B, GLY371D, GLY376D, ILE356B, ILE356D, ILE399D, LEU214B, LEU215B, LEU215D, LEU301B, LEU305D, LEU353B, LEU353D, LEU400D, LYS300B, LYS300D, LYS306B, LYS306D, LYS334B, LYS334D, LYS357B, LYS357D, PHE370B, PHE370D, SER304B, SER304D, SER352B, SER352D, THR354B, THR354D, TRP351B, TRP351D, TYR308B, TYR308D, TYR373B, TYR373D, VAL296B, VAL296D, VAL299B, VAL299D
• B-H: ARG277H, ARG339B, ASN323H, ASP233H, ASP341B, ASP372B, ASP375B, CYS236H, GLN273H, GLN349B, GLN374B, GLU276H, GLU346B, GLU350B, GLY275H, ILE348B, LEU305B, LEU325H, LYS234B, LYS272H, LYS274H, LYS278H, LYS306B, LYS318B, LYS320B, LYS324H, LYS343H, LYS345B, MET281H, MET319B, PHE232H, PRO257H, SER231B, SER304B, THR307B, THR344B, TYR270H, TYR373B, VAL340B, VAL347B
• C-D: ALA750C, ARG297D, ARG303D, ASN213D, ASN743C, ASN744C, GLN211D, GLU293D, GLU749C, ILE292D, LEU212D, LEU214D, LEU215D, LEU746C, LYS295D, LYS300D, LYS748C, PRO209D, PRO745C, TYR216D, TYR747C, VAL210D, VAL296D, VAL299D
• D-F: ALA282F, ARG277D, ARG297F, ARG328F, ARG339F, ASN251D, ASN285F, ASN288F, ASN323D, ASP341F, ASP375F, CYS286F, GLN253D, GLN273D, GLN349F, GLN374F, GLU237F, GLU252D, GLU276D, GLU346F, GLU350F, GLY258D, GLY275D, GLY287F, GLY321D, GLY376F, HIS250D, HIS255D, HIS283F, ILE348F, LEU260D, LEU325D, LYS234F, LYS254D, LYS256D, LYS272D, LYS274D, LYS284D, LYS284F, LYS306F, LYS316D, LYS320F, LYS322D, LYS324D, LYS343D, MET281F, MET289F, MET319F, PHE259D, PHE280D, PRO257D, THR344F, TYR241F, TYR270D, TYR373F, VAL326F, VAL347F
• D-H: ALA282D, ALA282H, ARG297D, ARG297H, ARG328D, ARG328H, ARG339D, ARG339H, ASN285D, ASN285H, ASN288D, ASP233D, ASP233H, ASP341D, ASP341H, ASP372H, ASP375H, CYS236H, CYS286D, CYS286H, GLN349H, GLN374H, GLU237D, GLU237H, GLU252D, GLU317D, GLU346D, GLU346H, GLY287D, GLY321D, HIS250D, ILE348D, ILE348H, LEU301D, LEU301H, LEU305H, LYS234D, LYS234H, LYS278D, LYS278H, LYS284D, LYS284H, LYS306D, LYS306H, LYS318D, LYS320D, LYS322D, MET281D, MET281H, MET289D, MET319D, PHE232D, PRO249D, SER231D, SER231H, SER304H, THR344D, THR344H, TYR241D, TYR241H, TYR373H, VAL326D, VAL326H, VAL347H
• E-F: ALA219F, ALA302F, ALA750E, ARG297F, ARG303F, ASN213F, ASN744E, GLN211F, GLU293F, GLU749E, ILE292F, LEU212F, LEU214F, LEU215F, LEU301F, LEU746E, LYS295F, LYS300F, LYS748E, PRO209F, PRO745E, TYR216F, TYR298F, TYR747E, VAL210F, VAL296F, VAL299F
• E-H: ALA360H, ALA361H, ALA389H, ALA393H, ALA742E, ARG358H, ASN355H, ASN743E, ASN744E, ASP369H, ASP372H, ASP397H, ASP740E, GLN390H, GLY371H, HIS737E, ILE356H, ILE392H, ILE396H, ILE399H, LEU353H, LEU368H, LEU400H, LEU746E, LYS357H, LYS748E, MET738E, PHE366H, PHE370H, PRO363H, PRO745E, SER352H, SER362H, SER365H, SER379H, THR354H, THR367H, THR741E, TRP359H, TRP739E, TYR377H, TYR378H, TYR747E
• F-G: ALA360F, ALA361F, ALA389F, ALA393F, ALA742G, ARG358F, ASN355F, ASN743G, ASN744G, ASP369F, ASP372F, ASP397F, ASP740G, GLN390F, GLY371F, HIS737G, ILE356F, ILE392F, ILE396F, LEU353F, LEU368F, LEU746G, LYS357F, LYS748G, MET738G, PHE366F, PHE370F, PRO363F, PRO745G, SER352F, SER362F, SER365F, SER379F, THR354F, THR367F, THR741G, TRP359F, TRP739G, TYR373F, TYR377F, TYR378F, TYR747G, VAL380F
• F-H: ARG297F, ARG297H, ARG303F, ARG303H, ASN355F, ASN355H, ASP369F, ASP369H, ASP372F, ASP372H, GLN211F, GLN374F, GLN374H, GLU293F, GLU293H, GLU335F, GLU335H, GLU350F, GLU350H, GLY309F, GLY371F, GLY371H, ILE356F, ILE356H, ILE396F, ILE399H, LEU214F, LEU215F, LEU215H, LEU301F, LEU301H, LEU305H, LEU353F, LEU353H, LEU400H, LYS300F, LYS300H, LYS306F, LYS306H, LYS334F, LYS334H, LYS357F, LYS357H, MET289H, PHE370F, PHE370H, SER304F, SER304H, SER352F, SER352H, THR333F, THR354F, THR354H, TRP351F, TRP351H, TYR308F, TYR308H, TYR373F, TYR373H, VAL296F, VAL296H, VAL299F, VAL299H
• G-H: ALA750G, ARG297H, ARG303H, ASN213H, ASN743G, ASN744G, GLN211H, GLU293H, GLU749G, ILE292H, LEU212H, LEU214H, LEU215H, LEU746G, LYS295H, LYS300H, LYS748G, PRO209H, PRO745G, TYR216H, TYR298H, TYR747G, VAL210H, VAL296H, VAL299H