3L3T

human mesotrypsin complexed with amyloid precursor protein inhibitor variant (appir15k)

• Total interactions analyzed: 28
• Total true interactions: 9
• Strongest Interaction:
  • Chains: C-G
  • Int. Res.: 73
  • Norm. En. per Res.: -3.4434
• Hub Node: A(5)

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	0.0	0.0	-74.1153	-74.1153	47	1	5	3867	0	6	6
A-C	-2.1511	5.4668	-135.681	-132.3653	84	14	3	7268	1	4	7
A-D	-11.0318	-12.5291	-57.6792	-81.2401	36	1	3	2167	0	8	8
A-E	-39.8128	-11.8682	-189.58	-241.261	72	8	3	7206	1	7	12
A-H	0.0	0.0	-0.0073	-0.0073	4	0	0	5	0	2	2
B-F	-36.1881	-11.2079	-192.793	-240.1891	70	9	3	7322	1	6	11
C-D	0.0	-9.8109	-2.2952	-12.1061	8	0	0	127	1	3	2
C-G	-36.6769	-12.8656	-201.828	-251.3705	73	6	3	7544	1	9	12
D-H	-39.1527	-11.1393	-202.452	-252.744	75	8	3	7582	1	8	11

Interface residues

• A-B: ALA112A, ALA112B, ARG66A, ARG66B, ASN115A, ASN115B, ASN79A, ASN79B, ASN84A, ASN84B, GLN64A, GLN64B, GLN81A, GLN81B, GLU49B, GLU77A, GLU77B, GLU80A, GLU80B, GLY78A, GLY78B, ILE114A, ILE114B, ILE83A, ILE83B, LEU108A, LEU108B, LEU67A, LEU67B, LEU76A, LEU76B, LYS74A, LYS74B, PHE82A, PHE82B, PRO111A, PRO111B, SER109A, SER109B, SER110A, SER110B, VAL113A, VAL113B, VAL118A, VAL118B, VAL75A, VAL75B
• A-C: ALA112A, ALA112C, ALA127A, ALA127C, ALA130A, ALA130C, ALA243A, ALA243C, ALA244A, ASN115A, ASN115C, ASN202A, ASN202C, ASP236A, ASP236C, ASP240A, ASP240C, CYS201A, CYS201C, GLN204A, GLN204C, GLN210A, GLN210C, GLN50A, GLN50C, GLU49A, GLU49C, GLY203A, GLY203C, ILE114A, ILE114C, ILE121A, ILE121C, ILE238A, ILE238C, ILE242A, ILE242C, ILE47A, ILE47C, LEU105A, LEU105C, LEU123A, LEU123C, LEU209A, LEU209C, LEU46A, LEU46C, LYS239A, LYS239C, PRO111A, PRO111C, PRO124A, PRO124C, PRO128A, PRO128C, SER119A, SER119C, SER122A, SER122C, SER246A, SER246C, SER48A, SER48C, THR120A, THR120C, THR125A, THR125C, THR134A, THR134C, TRP237A, TRP51A, TRP51C, TYR232A, TYR232C, VAL113A, VAL113C, VAL118A, VAL118C, VAL200A, VAL200C, VAL235A, VAL235C, VAL53A, VAL53C
• A-D: ALA166D, ALA170D, ALA243A, ALA244A, ARG224D, ASN223D, ASN233A, ASN245A, ASP236A, ASP240A, ASP97D, CYS168D, GLN165D, GLU167D, GLY174D, HIS217D, HIS91A, ILE176D, ILE238A, ILE242A, ILE89A, LEU105A, LYS169D, LYS175D, LYS239A, LYS93A, PRO173D, PRO92A, SER171D, SER246A, THR241A, THR98D, TRP237A, TYR172D, TYR234A, VAL235A
• A-E: ALA149A, ALA16E, ALA195A, ALA221A, ALA55A, ARG193A, ARG20E, ARG224A, ARG96A, ASN143A, ASN95A, ASP102A, ASP189A, ASP194A, ASP46E, ASP97A, CYS14E, CYS191A, CYS220A, CYS38E, CYS42A, CYS58A, GLN192A, GLY12E, GLY142A, GLY196A, GLY197A, GLY216A, GLY219A, GLY226A, GLY36E, GLY37E, GLY38A, GLY39E, GLY43A, HIS217A, HIS40A, HIS57A, ILE138A, ILE16A, ILE18E, ILE73A, LEU33A, LEU99A, LYS15E, LYS175A, LYS60A, LYS74A, MET17E, PHE34E, PHE41A, PRO13E, PRO225A, SER190A, SER19E, SER214A, SER37A, SER39A, THR11E, TRP141A, TRP215A, TRP221A, TYR151A, TYR172A, TYR228A, TYR35E, TYR59A, TYR94A, VAL17A, VAL183A, VAL213A, VAL227A
• A-H: ASP97A, GLU3H, LYS93A, PRO13H
• B-F: ALA149B, ALA16F, ALA195B, ALA221B, ALA55B, ARG193B, ARG20F, ARG224B, ARG96B, ASN143B, ASN95B, ASP102B, ASP189B, ASP194B, ASP97B, CYS14F, CYS191B, CYS220B, CYS38F, CYS42B, CYS58B, GLN192B, GLY12F, GLY142B, GLY196B, GLY197B, GLY216B, GLY219B, GLY226B, GLY36F, GLY37F, GLY39F, GLY43B, HIS217B, HIS40B, HIS57B, ILE138B, ILE16B, ILE18F, ILE73B, LEU33B, LEU99B, LYS15F, LYS175B, LYS60B, LYS74B, MET17F, PHE34F, PHE41B, PRO13F, PRO152B, PRO225B, SER190B, SER19F, SER214B, SER37B, SER39B, THR11F, TRP141B, TRP215B, TYR151B, TYR172B, TYR228B, TYR35F, TYR59B, TYR94B, VAL17B, VAL183B, VAL213B, VAL227B
• C-D: ALA166D, ASN178D, ASP236C, ASP240C, GLN165D, LYS169D, LYS239C, TYR232C
• C-G: ALA149C, ALA16G, ALA195C, ALA221C, ALA55C, ALA56C, ARG193C, ARG20G, ARG224C, ARG42G, ARG96C, ASN143C, ASN95C, ASP102C, ASP189C, ASP194C, ASP97C, CYS14G, CYS191C, CYS220C, CYS38G, CYS42C, CYS58C, GLN192C, GLY12G, GLY142C, GLY196C, GLY197C, GLY216C, GLY219C, GLY226C, GLY36G, GLY37G, GLY38C, GLY39G, GLY43C, HIS217C, HIS40C, HIS57C, ILE138C, ILE16C, ILE18G, ILE73C, LEU33C, LEU99C, LYS15G, LYS175C, LYS60C, LYS74C, MET17G, PHE34G, PHE41C, PRO13G, PRO225C, SER190C, SER19G, SER214C, SER37C, SER39C, THR11G, TRP141C, TRP215C, TRP221C, TYR151C, TYR172C, TYR228C, TYR35G, TYR59C, TYR94C, VAL17C, VAL183C, VAL213C, VAL227C
• D-H: ALA149D, ALA16H, ALA195D, ALA221D, ALA55D, ALA56D, ARG193D, ARG20H, ARG224D, ARG96D, ASN143D, ASN95D, ASP102D, ASP189D, ASP194D, ASP97D, CYS14H, CYS191D, CYS220D, CYS38H, CYS42D, CYS58D, GLN192D, GLU10H, GLY12H, GLY142D, GLY196D, GLY197D, GLY216D, GLY219D, GLY226D, GLY36H, GLY37H, GLY38D, GLY39H, GLY43D, HIS217D, HIS40D, HIS57D, ILE138D, ILE16D, ILE18H, ILE73D, LEU33D, LEU99D, LYS15H, LYS175D, LYS60D, LYS74D, MET17H, PHE34H, PHE41D, PRO13H, PRO152D, PRO225D, SER190D, SER19H, SER214D, SER37D, SER39D, THR11H, TRP141D, TRP215D, TRP221D, TYR151D, TYR172D, TYR228D, TYR35H, TYR59D, TYR94D, VAL17D, VAL183D, VAL212D, VAL213D, VAL227D