3S90

human vinculin head domain vh1 (residues 1-252) in complex with murine talin (vbs33; residues 1512-1546)

• Total interactions analyzed: 6
• Total true interactions: 3
• Strongest Interaction:
  • Chains: A-C
  • Int. Res.: 118
  • Norm. En. per Res.: -2.868
• 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
A-B	-11.8974	-18.1314	-88.5986	-118.6274	51	1	5	4310	1	12	11
A-C	-20.6191	-2.0417	-315.766	-338.4268	118	12	23	15272	1	21	14
B-D	-4.6377	-6.7548	-284.404	-295.7964	117	6	23	14129	1	21	14

Interface residues

• A-B: ALA148B, ARG136B, ARG230B, ASN163A, ASN163B, ASN217A, ASN217B, ASN220A, ASP156A, ASP156B, GLU143B, GLU149B, GLU152B, GLU155A, GLU155B, GLY140B, ILE206A, ILE211A, LEU142B, LEU145B, LEU157A, LEU157B, LYS139B, LYS162A, LYS210A, LYS216B, LYS219A, MET154A, MET209A, MET209B, PHE212A, PHE212B, PRO166A, SER207A, SER218A, THR146B, THR153A, THR153B, THR159A, THR159B, THR161A, THR214A, THR215A, TYR144B, TYR160B, VAL147B, VAL150B, VAL151B, VAL158A, VAL213A, VAL234B
• A-C: ALA104A, ALA1521C, ALA1529C, ALA1533C, ALA1537C, ALA1545C, ALA17A, ALA36A, ALA42A, ALA45A, ALA46A, ALA49A, ALA50A, ALA77A, ALA84A, ALA91A, ALA92A, ARG105A, ARG113A, ARG1523C, ARG178A, ARG56A, ASN1534C, ASN1538C, ASN53A, ASP121A, ASP127A, ASP39A, CYS85A, GLN1524C, GLN1527C, GLN18A, GLN19A, GLN48A, GLU130A, GLU14A, GLU1531C, GLU177A, GLU181A, GLU31A, GLU60A, GLY111A, GLY114A, GLY118A, GLY58A, HIS22A, HIS27A, ILE109A, ILE115A, ILE12A, ILE134A, ILE1543C, ILE20A, ILE25A, ILE37A, ILE9A, LEU108A, LEU116A, LEU122A, LEU123A, LEU124A, LEU13A, LEU1539C, LEU1546C, LEU23A, LEU40A, LEU54A, LEU70A, LEU88A, LEU95A, LYS133A, LYS1522C, LYS1530C, LYS1541C, LYS1544C, LYS35A, LYS59A, MET26A, MET74A, PHE126A, PHE1525C, PHE78A, PRO15A, PRO38A, PRO43A, SER112A, SER117A, SER11A, SER120A, SER1528C, SER1535C, SER21A, SER52A, THR119A, THR125A, THR1520C, THR1536C, THR1542C, THR41A, THR61A, THR64A, THR6A, THR8A, TYR107A, VAL1526C, VAL1532C, VAL1540C, VAL16A, VAL24A, VAL32A, VAL44A, VAL47A, VAL51A, VAL55A, VAL57A, VAL62A, VAL81A, VAL89A
• B-D: ALA104B, ALA1521D, ALA1529D, ALA1533D, ALA1537D, ALA1545D, ALA17B, ALA36B, ALA42B, ALA45B, ALA46B, ALA49B, ALA50B, ALA77B, ALA91B, ALA92B, ARG105B, ARG113B, ARG1523D, ARG178B, ARG56B, ARG7B, ASN1534D, ASN1538D, ASN53B, ASP121B, ASP127B, ASP39B, CYS85B, GLN1524D, GLN1527D, GLN18B, GLN19B, GLN48B, GLU10B, GLU130B, GLU14B, GLU1531D, GLU177B, GLU181B, GLU31B, GLU60B, GLY111B, GLY114B, GLY118B, GLY58B, HIS22B, HIS27B, ILE109B, ILE115B, ILE12B, ILE134B, ILE1543D, ILE20B, ILE37B, ILE9B, LEU108B, LEU116B, LEU122B, LEU123B, LEU124B, LEU13B, LEU1539D, LEU23B, LEU40B, LEU54B, LEU70B, LEU88B, LEU95B, LYS133B, LYS1522D, LYS1530D, LYS1541D, LYS1544D, LYS35B, LYS59B, MET26B, MET74B, PHE126B, PHE1525D, PHE78B, PRO15B, PRO38B, PRO43B, SER112B, SER117B, SER11B, SER120B, SER1528D, SER1535D, SER21B, SER52B, THR119B, THR125B, THR1520D, THR1536D, THR1542D, THR41B, THR61B, THR64B, THR6B, THR8B, TYR107B, VAL1526D, VAL1532D, VAL1540D, VAL16B, VAL24B, VAL32B, VAL44B, VAL47B, VAL51B, VAL55B, VAL57B, VAL62B, VAL81B, VAL89B