3FP7

anionic trypsin variant s195a in complex with bovine pancreatic trypsin inhibitor (bpti) cleaved at the scissile bond (lys15-ala16) determined to the 1.46 a resolution limit

• Total interactions analyzed: 3
• Total true interactions: 3
• Strongest Interaction:
  • Chains: E-I
  • Int. Res.: 53
  • Norm. En. per Res.: -3.6117
• Hub Node: E(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
E-I	-39.3695	-18.1562	-133.896	-191.4217	53	10	0	4199	2	4	5
E-J	-19.3157	-8.2392	220.533	192.9781	62	16	4	4745	0	5	14
I-J	-21.4143	-24.6965	1259.06	1212.9492	51	15	2	7828	1	8	5

Interface residues

• E-I: ALA195E, ALA221E, ALA55E, ALA56E, ARG96E, ASN143E, ASN224E, ASP102E, ASP189E, ASP194E, CYS14I, CYS191E, CYS220E, CYS42E, CYS58E, GLN192E, GLY12I, GLY142E, GLY184E, GLY193E, GLY196E, GLY197E, GLY216E, GLY219E, GLY226E, GLY43E, HIS40E, HIS57E, ILE138E, ILE16E, LEU158E, LEU221E, LEU99E, LYS15I, LYS188E, LYS97E, PHE41E, PHE94E, PRO13I, PRO225E, SER190E, SER214E, THR11I, THR98E, TRP215E, TYR10I, TYR172E, TYR217E, TYR228E, VAL17E, VAL183E, VAL213E, VAL227E
• E-J: ALA16J, ALA195E, ALA40J, ALA48J, ALA55E, ARG17J, ARG20J, ARG39J, ARG96E, ASN143E, ASN150E, ASP102E, ASP194E, ASP95E, CYS191E, CYS30J, CYS38J, CYS42E, CYS58E, GLN192E, GLN31J, GLU151E, GLY142E, GLY193E, GLY196E, GLY216E, GLY36J, GLY37J, GLY38E, GLY43E, HIS40E, HIS57E, ILE18J, ILE19J, ILE73E, LEU29J, LEU33E, LEU99E, LYS175E, LYS60E, LYS97E, PHE22J, PHE33J, PHE41E, PHE8E, PHE94E, PRO152E, SER214E, SER37E, SER47J, THR32J, THR98E, TRP141E, TRP215E, TYR217E, TYR21J, TYR35J, TYR39E, TYR59E, VAL149E, VAL213E, VAL34J
• I-J: ALA16J, ALA25J, ALA40J, ALA58J, ARG17J, ARG1I, ARG20J, ARG39J, ARG42J, ARG53J, ASN24J, ASN43J, ASN44J, ASP3I, CYS14I, CYS30J, CYS38J, CYS51J, CYS55J, CYS5I, GLN31J, GLU7I, GLY12I, GLY28J, GLY36J, GLY37J, GLY56J, GLY57J, ILE18J, LEU29J, LEU6I, LYS15I, LYS26J, LYS41J, MET52J, PHE22J, PHE33J, PHE45J, PHE4I, PRO13I, PRO2I, PRO8I, PRO9I, THR11I, THR32J, THR54J, TYR10I, TYR21J, TYR23J, TYR35J, VAL34J