1NY2

human alpha thrombin inhibited by rppgf and hirugen

• Total interactions analyzed: 6
• Total true interactions: 3
• Strongest Interaction:
  • Chains: 2-3
  • Int. Res.: 40
  • Norm. En. per Res.: -3.2788
• Hub Node: 2(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
1-2	-87.4936	-33.5809	112.869	-8.2055	107	66	4	17523	6	42	35
2-3	-3.9424	0.5281	-127.736	-131.1503	40	2	2	5373	2	32	8
2-4	-9.6332	0.0	-141.856	-151.4892	56	4	0	6144	4	8	5

Interface residues

• 1-2: ALA11, ALA1322, ALA222, ARG1262, ARG1372, ARG141, ARG2062, ARG41, ARG502, ASN1592, ASN2042, ASN2052, ASP11, ASP1162, ASP1252, ASP141, ASP212, ASP2432, ASP492, CYS11, CYS1222, GLN1312, GLN2092, GLN2392, GLN302, GLU11, GLU1272, GLU131, GLU141, GLU232, GLU2472, GLU81, GLY11, GLY1332, GLY1362, GLY192, GLY21, GLY2462, GLY252, HIS1192, ILE1182, ILE141, ILE1622, ILE2382, ILE242, ILE2422, ILE472, ILE792, LEU1052, LEU121, LEU1232, LEU1292, LEU141, LEU1602, LEU31, LEU462, LEU532, LEU61, LYS101, LYS1352, LYS141, LYS1862, LYS2022, LYS2352, LYS2362, LYS2402, LYS91, MET2012, MET2102, MET262, PHE11, PHE1142, PHE1992, PHE2042, PHE2322, PHE71, PRO1202, PRO1242, PRO1612, PRO2042, PRO282, PRO51, SER11, SER111, SER1152, SER1292, SER141, SER202, SER2032, SER272, SER482, THR11, THR1282, THR141, TRP2072, TRP292, TRP512, TYR1172, TYR1342, TYR141, TYR1842, TYR2082, VAL1212, VAL1382, VAL1572, VAL1582, VAL2002
• 2-3: ARG352, ARG672, ARG732, ARG752, ARG772, ASN622, ASP553, ASP632, GLN1512, GLN382, GLU392, GLU573, GLU583, GLU613, GLU623, GLU772, GLU802, ILE593, ILE822, LEU332, LEU402, LEU412, LEU642, LEU643, LEU652, LYS1492, LYS362, LYS702, MET322, MET842, PHE342, PHE563, PRO1522, PRO372, PRO603, SER362, SER722, THR742, TRP1412, TYR762
• 2-4: ALA1832, ALA1902, ALA552, ARG1732, ARG2212, ARG3804, ASN1432, ASN982, ASP1022, ASP1892, ASP1942, ASP2212, CYS1822, CYS1912, CYS2202, CYS422, CYS582, GLU1462, GLU1922, GLU2172, GLU972, GLY1422, GLY1882, GLY1932, GLY1962, GLY1972, GLY2162, GLY2192, GLY2262, GLY3834, HIS572, ILE162, ILE1742, LEU1602, LEU992, LYS2242, LYS602, PHE2272, PRO3814, PRO3824, PRO602, SER1952, SER2142, THR1472, THR1722, TRP2152, TRP602, TRP962, TYR2252, TYR2282, TYR602, TYR942, VAL1382, VAL1582, VAL172, VAL2132