1TX6

trypsin:bbi complex

• Total interactions analyzed: 15
• Total true interactions: 9
• Strongest Interaction:
  • Chains: A-I
  • Int. Res.: 116
  • Norm. En. per Res.: -3.7628
• Hub Node: A(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
A-B	0.0	0.0	-2.504	-2.504	8	0	0	275	0	0	1
A-I	-81.8408	-63.3484	-291.298	-436.4872	116	18	2	11274	4	17	17
A-J	0.0	0.0	-0.7816	-0.7816	10	0	0	140	0	0	2
B-C	-19.9562	-8.9619	-126.222	-155.14	60	4	1	4937	0	16	4
B-I	-65.8762	-44.4173	-228.408	-338.7015	105	13	1	8651	3	14	19
C-D	0.0	0.0	-6.8417	-6.8417	15	0	0	416	0	0	1
C-I	-7.8115	-14.3482	-57.6844	-79.8441	32	1	1	2508	1	4	7
C-J	-70.8685	-47.5079	-277.777	-396.1534	121	27	2	11450	4	17	18
D-J	-74.638	-36.1258	-232.418	-343.1819	104	15	1	8913	4	12	19

Interface residues

• A-B: GLY148B, GLY174A, LYS145B, LYS169A, PRO173A, SER147B, SER149B, SER170A
• A-I: ALA13I, ALA221A, ALA55A, ALA56A, ARG121I, ARG125I, ARG17I, ARG48I, ARG64I, ASN143A, ASN223A, ASN95A, ASN97A, ASP100A, ASP102A, ASP11I, ASP189A, ASP194A, ASP27I, ASP45I, ASP53I, ASP58I, ASP70I, CYS10I, CYS122I, CYS15I, CYS191A, CYS220A, CYS23I, CYS25I, CYS42A, CYS51I, CYS58A, CYS68I, GLN175A, GLN192A, GLN221A, GLN52I, GLN54I, GLU12I, GLU186A, GLU67I, GLY142A, GLY148A, GLY174A, GLY184A, GLY193A, GLY196A, GLY197A, GLY216A, GLY219A, GLY226A, GLY43A, GLY44I, GLY57I, GLY96A, HIS40A, HIS57A, ILE138A, ILE16A, ILE19I, ILE212A, ILE22I, ILE50I, ILE62I, ILE73A, LEU158A, LEU163A, LEU185A, LEU99A, LYS188A, LYS222A, LYS224A, LYS60A, MET180A, MET26I, MET43I, PHE41A, PHE94A, PRO120I, PRO124I, PRO152A, PRO173A, PRO20I, PRO21I, PRO225A, PRO41I, PRO59I, SER167A, SER170A, SER171A, SER18I, SER190A, SER195A, SER214A, SER38I, SER39A, SER42I, THR123I, THR16I, THR177A, THR24I, THR98A, TRP141A, TRP215A, TYR151A, TYR172A, TYR217A, TYR228A, TYR55I, TYR59A, VAL14I, VAL17A, VAL183A, VAL213A, VAL227A
• A-J: ALA244A, ARG108J, ARG62A, ASN245A, LYS87A, LYS96J, PRO100J, SER61A, THR97J, TYR59A
• B-C: ALA85B, ALA85C, ARG117B, ARG117C, ARG62B, ARG62C, ARG66B, ARG66C, ASN34B, ASN34C, ASN72B, ASN72C, ASN79B, ASN79C, ASN84B, ASN84C, ASP74B, ASP74C, GLN64B, GLN64C, GLN81B, GLN81C, GLU70B, GLU70C, GLU77B, GLU77C, GLU80B, GLU80C, GLY38B, GLY38C, GLY78B, GLY78C, ILE63B, ILE63C, ILE73B, ILE73C, ILE83B, ILE83C, ILE88B, ILE88C, LEU33B, LEU33C, LEU76B, LEU76C, LYS60B, LYS60C, PHE41B, PHE41C, PHE82B, PHE82C, SER37B, SER37C, SER39B, SER39C, SER61B, SER61C, VAL65B, VAL65C, VAL75B, VAL75C
• B-I: ALA221B, ALA55B, ALA72I, ARG121I, ARG125I, ARG48I, ARG49I, ARG76I, ARG83I, ASN143B, ASN78I, ASN95B, ASN97B, ASP102B, ASP112I, ASP189B, ASP194B, ASP45I, ASP70I, ASP74B, ASP86I, CYS191B, CYS220B, CYS42B, CYS58B, CYS69I, CYS74I, CYS82I, CYS84I, GLN175B, GLN192B, GLN221B, GLU28I, GLU31I, GLY116I, GLY142B, GLY148B, GLY184B, GLY193B, GLY196B, GLY197B, GLY216B, GLY219B, GLY226B, GLY38B, GLY43B, GLY96B, HIS40B, HIS57B, ILE111I, ILE138B, ILE16B, ILE73B, ILE73I, LEU158B, LEU33B, LEU99B, LYS188B, LYS222B, LYS224B, LYS60B, LYS71I, PHE115I, PHE30I, PHE41B, PHE94B, PRO117I, PRO119I, PRO120I, PRO124I, PRO152B, PRO225B, PRO46I, PRO79I, PRO80I, SER113I, SER146B, SER147B, SER149B, SER150B, SER153B, SER190B, SER195B, SER214B, SER37B, SER39B, SER47I, SER77I, THR75I, THR81I, THR98B, TRP141B, TRP215B, TYR151B, TYR172B, TYR217B, TYR228B, TYR59B, VAL118I, VAL17B, VAL183B, VAL213B, VAL227B, VAL29I, VAL85I
• C-D: ASN143D, ASN223C, GLN175C, GLY148D, GLY174C, LYS145D, LYS169C, PRO173C, SER147D, SER149D, SER150D, SER166C, SER170C, SER171C, TYR172C
• C-I: ARG49I, ASN72C, ASP53I, ASP74C, CYS32I, CYS39I, GLN52I, GLU31I, GLU77C, GLY148C, GLY40I, HIS40C, ILE73C, LEU154C, LEU76C, LYS145C, LYS37I, PHE30I, PRO152C, PRO41I, PRO46I, SER149C, SER150C, SER153C, SER38I, SER39C, SER47I, THR144C, TRP141C, TYR151C, VAL29I, VAL75C
• C-J: ALA13J, ALA221C, ALA55C, ALA56C, ARG107J, ARG121J, ARG125J, ARG17J, ARG48J, ARG64J, ASN143C, ASN223C, ASN95C, ASN97C, ASP102C, ASP11J, ASP189C, ASP194C, ASP27J, ASP45J, ASP53J, ASP58J, ASP70J, CYS122J, CYS15J, CYS182C, CYS191C, CYS220C, CYS23J, CYS25J, CYS42C, CYS58C, CYS68J, CYS69J, GLN175C, GLN192C, GLN221C, GLN52J, GLN54J, GLU12J, GLU186C, GLU67J, GLY142C, GLY174C, GLY184C, GLY187C, GLY193C, GLY196C, GLY197C, GLY216C, GLY219C, GLY226C, GLY43C, GLY44J, GLY57J, GLY96C, HIS40C, HIS57C, ILE138C, ILE16C, ILE176C, ILE19J, ILE22J, ILE50J, ILE62J, ILE73C, LEU158C, LEU163C, LEU185C, LEU99C, LYS188C, LYS222C, LYS224C, LYS60C, LYS90J, MET180C, MET26J, MET43J, PHE184C, PHE41C, PHE94C, PRO119J, PRO120J, PRO124J, PRO152C, PRO173C, PRO20J, PRO21J, PRO225C, PRO59J, PRO93J, SER147C, SER149C, SER167C, SER170C, SER171C, SER18J, SER190C, SER195C, SER214C, SER37C, SER39C, SER42J, THR123J, THR16J, THR177C, THR24J, THR98C, TRP141C, TRP215C, TYR151C, TYR172C, TYR217C, TYR228C, TYR59C, VAL14J, VAL17C, VAL183C, VAL213C, VAL227C, VAL88J
• D-J: ALA221D, ALA55D, ALA72J, ARG121J, ARG125J, ARG48J, ARG49J, ARG76J, ARG83J, ASN143D, ASN78J, ASN95D, ASN97D, ASP102D, ASP189D, ASP194D, ASP45J, ASP70J, ASP74D, ASP86J, CYS182D, CYS191D, CYS220D, CYS42D, CYS58D, CYS69J, CYS74J, CYS82J, GLN175D, GLN192D, GLN221D, GLU12J, GLU28J, GLY116J, GLY142D, GLY148D, GLY184D, GLY193D, GLY196D, GLY197D, GLY216D, GLY219D, GLY226D, GLY38D, GLY43D, GLY96D, HIS40D, HIS57D, ILE111J, ILE138D, ILE16D, ILE73D, ILE73J, LEU158D, LEU33D, LEU99D, LYS188D, LYS222D, LYS224D, LYS60D, LYS71J, MET43J, PHE115J, PHE30J, PHE41D, PHE94D, PRO117J, PRO119J, PRO124J, PRO152D, PRO225D, PRO46J, PRO79J, PRO80J, SER113J, SER146D, SER147D, SER149D, SER150D, SER153D, SER190D, SER195D, SER214D, SER37D, SER39D, SER47J, SER77J, THR75J, THR81J, THR98D, TRP141D, TRP215D, TYR151D, TYR172D, TYR217D, TYR228D, TYR59D, VAL118J, VAL17D, VAL183D, VAL213D, VAL227D, VAL29J, VAL85J