1S1C

crystal structure of the complex between the human rhoa and rho-binding domain of human rocki

• Total interactions analyzed: 6
• Total true interactions: 5
• Strongest Interaction:
  • Chains: X-Y
  • Int. Res.: 125
  • Norm. En. per Res.: -4.2025
• 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-X	-21.9044	17.3833	-75.1506	-79.6717	34	4	1	3080	2	7	7
A-Y	-14.2707	-22.9427	-78.9464	-116.1598	38	5	4	3697	1	12	10
B-X	-8.8052	-18.5076	-65.055	-92.3678	33	3	3	3010	1	10	5
B-Y	-12.7919	23.8672	-71.9653	-60.89	31	1	1	2966	2	7	8
X-Y	-54.3149	-133.9889	-337.011	-525.3147	125	25	17	15499	11	64	63

Interface residues

• A-X: ALA1002X, ALA61A, ARG996X, ASN1004X, ASN41A, ASN993X, ASP59A, ASP65A, GLN1001X, GLN63A, GLU1008X, GLU40A, GLU64A, GLU995X, ILE1009X, LEU1006X, LEU69A, LEU72A, LEU998X, LYS1005X, LYS1013X, LYS999X, PHE39A, PRO36A, THR1000X, THR37A, THR994X, THR997X, TYR34A, TYR42A, TYR66A, VAL1003X, VAL35A, VAL38A
• A-Y: ALA1002Y, ALA1007Y, ARG1012Y, ARG68A, ARG70A, ARG996Y, ASN1004Y, ASN1011Y, ASN41A, ASP1014Y, ASP65A, ASP67A, ASP76A, GLN1001Y, GLN63A, GLU1008Y, GLU64A, HIS105A, ILE1009Y, LEU1006Y, LEU69A, LEU72A, LYS1005Y, LYS1013Y, LYS7A, LYS999Y, MET1010Y, PHE106A, PHE39A, PRO71A, PRO75A, SER73A, THR1000Y, TRP58A, TYR66A, TYR74A, VAL1003Y, VAL38A
• B-X: ALA1002X, ALA1007X, ARG1012X, ARG68B, ARG70B, ARG996X, ASN1004X, ASN1011X, ASN41B, ASP65B, ASP67B, GLN1001X, GLN63B, GLU1008X, GLU40B, GLU64B, ILE1009X, LEU1006X, LEU69B, LEU72B, LYS1005X, LYS1013X, LYS999X, MET1010X, PHE39B, PRO71B, PRO75B, SER73B, THR1000X, TRP58B, TYR66B, VAL1003X, VAL38B
• B-Y: ALA1002Y, ALA61B, ARG996Y, ASN1004Y, ASN41B, ASP59B, ASP65B, GLN1001Y, GLN63B, GLU1008Y, GLU40B, GLU64B, GLU995Y, ILE1009Y, LEU1006Y, LEU69B, LEU998Y, LYS1005Y, LYS999Y, PHE39B, PRO36B, THR1000Y, THR37B, THR994Y, THR997Y, TYR34B, TYR42B, TYR66B, VAL1003Y, VAL35B, VAL38B
• X-Y: ALA1002X, ALA1002Y, ALA1007X, ALA1007Y, ALA969X, ALA969Y, ALA986X, ALA986Y, ALA987X, ALA987Y, ARG1012Y, ARG956X, ARG956Y, ARG957X, ARG957Y, ARG996X, ARG996Y, ASN1004X, ASN1004Y, ASN1011Y, ASN959X, ASN959Y, ASN983X, ASN991X, ASN991Y, ASN993X, ASN993Y, ASP951X, ASP951Y, GLN1001X, GLN1001Y, GLU1008X, GLU1008Y, GLU953X, GLU953Y, GLU958X, GLU958Y, GLU960X, GLU960Y, GLU961X, GLU961Y, GLU964X, GLU964Y, GLU970X, GLU970Y, GLU971Y, GLU972X, GLU972Y, GLU976X, GLU976Y, GLU978X, GLU978Y, GLU979X, GLU979Y, GLU980X, GLU980Y, GLU989X, GLU989Y, GLU995X, GLU995Y, ILE1009X, ILE1009Y, ILE952X, ILE952Y, ILE954X, ILE954Y, ILE981X, ILE981Y, ILE992X, ILE992Y, LEU1006X, LEU1006Y, LEU948X, LEU955X, LEU955Y, LEU962X, LEU962Y, LEU975X, LEU975Y, LEU984X, LEU984Y, LEU998X, LEU998Y, LYS1005X, LYS1005Y, LYS1013X, LYS950X, LYS950Y, LYS965X, LYS965Y, LYS967X, LYS968X, LYS974X, LYS974Y, LYS977X, LYS977Y, LYS985X, LYS985Y, LYS990X, LYS990Y, LYS999X, LYS999Y, MET1010X, MET1010Y, MET947X, MET966X, MET966Y, PHE988X, PHE988Y, SER982X, SER982Y, THR1000X, THR1000Y, THR949X, THR949Y, THR963X, THR963Y, THR994X, THR994Y, THR997X, THR997Y, TYR973X, TYR973Y, VAL1003X, VAL1003Y