2EC9

crystal structure analysis of human factor viia , souluble tissue factor complexed with bcx-3607

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: T-U
  • Int. Res.: 97
  • Norm. En. per Res.: -6.3135
• Hub Node: L(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
L-H	-52.3505	-75.2156	469.476	341.9099	89	31	3	11356	4	17	17
L-T	-57.7431	-28.924	-135.486	-222.1531	67	8	2	5552	6	24	24
L-U	-14.8829	-8.0653	-185.5	-208.4482	83	12	4	8122	0	13	11
H-T	-24.3895	-17.2259	-90.8867	-132.502	43	7	0	2970	1	8	11
H-U	-16.9578	0.0	-80.7577	-97.7155	25	9	0	2496	2	4	5
T-U	-155.3461	-31.1941	-425.874	-612.4142	97	25	12	15394	2	17	15

Interface residues

• L-H: ALA200H, ARG110L, ARG113L, ARG126H, ARG129H, ARG204H, ARG243H, ASN48H, ASN93L, ASN95L, ASP104L, ASP116H, CYS102L, CYS112L, CYS114L, CYS122H, CYS127L, CYS135L, CYS22H, CYS27H, CYS91L, CYS98L, GLN100L, GLN239H, GLU116L, GLU125H, GLU132L, GLU142L, GLU26H, GLU94L, GLU99L, GLY117L, GLY136L, GLY205H, GLY25H, GLY96L, GLY97L, HIS115L, HIS117H, HIS202H, ILE138L, ILE140L, ILE235H, ILE47H, ILE90L, LEU114H, LEU121H, LEU123H, LEU129H, LEU137H, LEU141L, LEU209H, LEU46H, LEU89L, LYS137L, LYS24H, MET242H, PHE128H, PHE129H, PRO120H, PRO124H, PRO129L, PRO134L, PRO139L, PRO23H, PRO28H, SER103L, SER111L, SER126L, SER129H, THR115H, THR127H, THR129H, THR201H, THR206H, THR49H, TRP207H, TRP29H, TYR101L, TYR118L, TYR133L, TYR203H, TYR208H, VAL113H, VAL118H, VAL119H, VAL125L, VAL131L, VAL92L
• L-T: ALA75L, ARG79L, ASN18T, ASN80L, ASN93L, ASN95L, ASP104L, ASP44T, ASP54T, ASP58T, ASP61T, ASP63L, ASP87L, CYS49T, CYS55L, CYS57T, CYS70L, CYS72L, CYS81L, CYS91L, GLN37T, GLN64L, GLN88L, GLU24T, GLU56T, GLU62T, GLU77L, GLU82L, GLU94L, GLY59L, GLY78L, ILE22T, ILE69L, ILE90L, LEU23T, LEU59T, LEU65L, LEU73L, LEU89L, LYS15T, LYS20T, LYS46T, LYS48T, LYS62L, LYS65T, LYS85L, PHE19T, PHE50T, PHE71L, PHE76L, PRO74L, SER16T, SER47T, SER60L, SER67L, THR17T, THR21T, THR35T, THR55T, THR60T, THR83L, TRP45T, TYR51T, TYR68L, TYR78T, VAL36T, VAL92L
• L-U: ALA34L, ALA75L, ARG131U, ARG135U, ARG36L, ASN107U, ASN138U, ASN184U, ASP129U, ASP204U, ASP33L, ASP46L, ASP63L, CYS186U, CYS209U, CYS55L, CYS61L, CYS70L, CYS72L, CYS81L, GLN110U, GLN190U, GLN64L, GLN66L, GLU128U, GLU130U, GLU208U, GLU77L, GLY109U, GLY164U, GLY59L, GLY78L, ILE30L, ILE42L, ILE69L, LEU108U, LEU133U, LEU13L, LEU141U, LEU155U, LEU39L, LEU65L, LEU73L, LYS165U, LYS166U, LYS18L, LYS32L, LYS38L, LYS62L, LYS85L, MET210U, PHE116U, PHE140U, PHE187U, PHE31L, PHE40L, PHE71L, PHE76L, PRO111U, PRO206U, PRO74L, SER142U, SER163U, SER188U, SER202U, SER205U, SER43L, SER60L, THR106U, THR112U, THR132U, THR139U, THR203U, THR37L, TRP158U, TRP41L, TYR156U, TYR157U, TYR185U, TYR44L, VAL134U, VAL189U, VAL207U
• H-T: ALA129H, ALA8T, ARG129H, ARG134H, ARG162H, ARG204H, ARG74T, ASP167H, ASP44T, CYS168H, GLN166H, GLN170H, GLN37T, GLU129H, GLY43T, HIS202H, ILE38T, LEU163H, LEU72T, LYS41T, LYS46T, MET164H, PHE129H, PHE135H, PHE76T, PRO161H, SER39T, SER42T, SER47T, SER77T, THR129H, THR165H, THR201H, THR35T, THR40T, THR70T, TRP45T, TYR203H, TYR51T, TYR71T, TYR78T, VAL129H, VAL75T
• H-U: ALA129H, ARG162H, ARG230H, ASN96U, ASP167H, CYS168H, CYS182H, GLN166H, GLN170H, GLN233H, GLU129H, GLU178H, GLU91U, GLU95U, ILE176H, LEU163H, LEU169H, LEU93U, MET164H, MET180H, PHE129H, PHE181H, PRO92U, THR165H, TYR94U
• T-U: ALA191U, ALA73T, ALA8T, ALA9T, ARG131U, ARG135U, ARG196U, ARG74T, ASN107U, ASN11T, ASN18T, ASN199U, ASN96U, ASP129U, ASP150U, ASP58T, ASP61T, ASP66T, GLN110U, GLN32T, GLN37T, GLN69T, GLU105U, GLU130U, GLU24T, GLU26T, GLU62T, GLU91U, GLU95U, GLU99U, GLY109U, GLY148U, ILE193U, ILE22T, ILE38T, ILE63T, LEU104U, LEU108U, LEU12T, LEU133U, LEU141U, LEU143U, LEU23T, LEU59T, LEU72T, LEU93U, LYS15T, LYS20T, LYS41T, LYS65T, LYS68T, PHE100U, PHE140U, PHE147U, PHE19T, PHE76T, PRO102U, PRO111U, PRO79T, PRO92U, PRO98U, SER142U, SER16T, SER202U, SER39T, SER77T, SER97U, THR101U, THR106U, THR132U, THR13T, THR17T, THR203U, THR21T, THR35T, THR40T, THR60T, THR6T, THR70T, TRP14T, TRP25T, TRP45T, TYR103U, TYR10T, TYR153U, TYR34T, TYR51T, TYR71T, TYR78T, TYR94U, VAL134U, VAL146U, VAL36T, VAL64T, VAL67T, VAL75T, VAL7T