3NPS

crystal structure of membrane-type serine protease 1 (mt-sp1) in complex with the fab inhibitor s4

• Total interactions analyzed: 3
• Total true interactions: 3
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 86
  • Norm. En. per Res.: -3.5019
• 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	-57.3846	-20.1315	-223.647	-301.1631	86	7	1	8142	4	30	20
A-C	-19.9518	-6.6315	-74.5133	-101.0965	50	5	0	2602	0	4	6
B-C	-24.4115	-21.506	-478.092	-524.0095	186	15	11	18663	2	27	23

Interface residues

• A-B: ALA221A, ALA33B, ALA55A, ALA56A, ARG100B, ARG60A, ARG94B, ARG99B, ASN95A, ASP100A, ASP100B, ASP101B, ASP102A, ASP189A, ASP194A, ASP217A, ASP60A, ASP96A, CYS191A, CYS220A, CYS42A, CYS58A, GLN174A, GLN175A, GLN192A, GLN221A, GLN38A, GLU1B, GLY100B, GLY142A, GLY147A, GLY148A, GLY193A, GLY196A, GLY216A, GLY219A, GLY226A, GLY43A, GLY55B, HIS102B, HIS143A, HIS57A, HIS97B, ILE176A, ILE41A, ILE52B, ILE53B, ILE60A, ILE98B, LEU172A, LYS100B, LYS224A, MET180A, PHE29B, PHE54B, PHE94A, PHE96B, PHE97A, PHE99A, PRO173A, PRO225A, PRO52B, SER100B, SER190A, SER195A, SER214A, SER30B, SER31B, THR56B, THR98A, TRP215A, TRP64A, TYR100B, TYR146A, TYR228A, TYR32B, TYR59A, TYR60A, VAL138A, VAL16A, VAL17A, VAL183A, VAL188A, VAL213A, VAL227A, VAL2B
• A-C: ARG54C, ARG60A, ARG91C, ASN27C, ASN31C, ASN51C, ASN52C, ASP217A, ASP50C, ASP60A, CYS191A, CYS220A, GLN145A, GLN192A, GLN221A, GLN38A, GLN53C, GLY147A, GLY148A, GLY151A, GLY219A, GLY29C, GLY37A, GLY57C, GLY60A, GLY68C, HIS143A, HIS40A, ILE28C, ILE41A, LEU46C, LYS224A, LYS45C, LYS66C, PHE60A, PRO55C, SER30C, SER56C, SER67C, SER94C, THR144A, THR150A, TYR146A, TYR32C, TYR49C, TYR60A, TYR96C, VAL17A, VAL33C, VAL58C
• B-C: ALA125B, ALA130C, ALA136B, ALA137B, ALA168B, ALA41B, ALA43C, ALA60B, ALA93B, ARG100B, ARG142C, ARG38B, ARG54C, ARG91C, ARG94B, ASN137C, ASN138C, ASN210C, ASN31C, ASN51C, ASN58B, ASP100B, ASP101B, ASP122C, ASP144B, ASP167C, ASP170C, ASP50C, ASP85C, ASP92C, CYS134C, CYS140B, CYS88C, CYS92B, GLN105B, GLN124C, GLN160C, GLN166C, GLN37C, GLN38C, GLN39B, GLN43B, GLN53C, GLN61B, GLN64B, GLN6B, GLN89C, GLN95C, GLU123C, GLU161C, GLU165C, GLU171B, GLU46B, GLY100B, GLY100C, GLY101C, GLY104B, GLY106B, GLY128C, GLY134B, GLY139B, GLY162B, GLY41C, GLY42B, GLY44B, GLY49B, GLY99C, HIS102B, HIS164B, ILE117C, ILE48C, ILE93C, LEU124B, LEU125C, LEU135C, LEU136C, LEU138B, LEU141B, LEU170B, LEU175C, LEU178B, LEU181C, LEU45B, LEU46C, LEU47C, LYS100B, LYS126C, LYS129B, LYS143B, LYS169C, LYS207C, LYS209B, LYS210B, LYS214B, LYS39C, LYS45C, LYS62B, MET100B, MET48B, PHE116C, PHE118C, PHE122B, PHE139C, PHE166B, PHE209C, PHE63B, PHE96B, PHE98C, PRO119C, PRO120C, PRO123B, PRO126B, PRO167B, PRO40C, PRO44C, PRO55C, SER100B, SER114C, SER120B, SER121C, SER127B, SER127C, SER128B, SER130B, SER131C, SER159C, SER161B, SER162C, SER168C, SER172B, SER174C, SER176C, SER177B, SER177C, SER179B, SER180B, SER186B, SER208C, SER34C, SER35B, SER56C, SER90C, SER94C, THR129C, THR131B, THR135B, THR164C, THR165B, THR172C, THR178C, THR180C, THR183B, THR42C, THR95B, TRP103B, TRP35C, TRP36B, TRP47B, TYR100B, TYR173C, TYR176B, TYR32C, TYR36C, TYR49C, TYR59B, TYR86C, TYR87C, TYR91B, TYR96C, VAL115C, VAL121B, VAL132C, VAL133C, VAL142B, VAL163B, VAL163C, VAL169B, VAL181B, VAL182B, VAL184B, VAL211B, VAL33C, VAL37B, VAL58C, VAL89B, VAL97C