1XXD

crystal structure of the fxia catalytic domain in complex with mutated ecotin

• Total interactions analyzed: 6
• Total true interactions: 5
• Strongest Interaction:
  • Chains: C-D
  • Int. Res.: 135
  • Norm. En. per Res.: -4.7622
• 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-C	-77.5608	-50.0858	-273.355	-401.0015	111	44	2	12345	5	41	42
A-D	-37.9878	-6.6224	-176.354	-220.9642	60	21	0	6245	2	21	21
B-C	-33.1274	-17.1744	-181.344	-231.6458	61	11	0	6217	2	20	20
B-D	-58.1513	-44.1054	-300.629	-402.8857	107	36	4	12061	6	33	38
C-D	-170.9369	-13.4107	-458.554	-642.9016	135	36	13	17475	0	41	46

Interface residues

• A-C: ALA183A, ALA190A, ALA220A, ALA55A, ALA56A, ALA97A, ALA99C, ARG171A, ARG173A, ARG224A, ARG37A, ARG54C, ARG84C, ASN51C, ASN80C, ASP102A, ASP103C, ASP189A, ASP194A, ASP49C, ASP75C, ASP81C, ASP89C, CYS191A, CYS219A, CYS40A, CYS50C, CYS58A, CYS87C, GLN152A, GLN169A, GLN221A, GLU217A, GLU60C, GLU93C, GLU98A, GLY100A, GLY102C, GLY142A, GLY173A, GLY193A, GLY196A, GLY197A, GLY216A, GLY218A, GLY226A, GLY41A, GLY56C, GLY57C, GLY59A, HIS174A, HIS34A, HIS38A, HIS53C, HIS57A, ILE151A, ILE160A, ILE16A, ILE176A, LEU146A, LEU33A, LEU39A, LEU52C, LEU55C, LYS149A, LYS170A, LYS175A, LYS188A, LYS192A, LYS58C, LYS76C, LYS91C, LYS92C, LYS95A, LYS95C, MET180A, MET96A, PHE59A, PHE74C, PHE82C, PRO225A, PRO37A, PRO88C, SER195A, SER214A, SER37A, SER78C, SER79C, SER99A, THR213A, THR35A, THR37A, THR54A, THR83C, THR98C, TRP130C, TRP141A, TRP215A, TYR100C, TYR143A, TYR172A, TYR228A, TYR59A, TYR94A, VAL138A, VAL17A, VAL227A, VAL77C, VAL85C, VAL86C, VAL97C
• A-D: ALA11D, ARG108D, ARG130A, ASN110D, ASN131A, ASN230A, ASN61D, ASP129A, ASP236A, ASP70D, ASP92A, GLN243A, GLN93A, GLU233A, GLU240A, GLU33D, GLU65D, GLY100A, GLY128A, GLY66D, GLY68D, HIS178A, HIS91A, ILE103A, ILE10D, ILE238A, ILE90A, LEU113D, LEU239A, LEU36D, LEU64D, LYS112D, LYS127A, LYS175A, LYS179A, LYS241A, LYS37D, LYS62D, LYS95A, LYS9D, MET96A, PRO114D, PRO12D, SER111D, SER34D, SER99A, THR35D, THR63D, TRP237A, TRP67D, TYR101A, TYR109D, TYR13D, TYR234A, TYR69D, TYR71D, TYR94A, VAL231A, VAL232A, VAL235A
• B-C: ALA11C, ARG108C, ARG130B, ASN110C, ASN230B, ASN61C, ASP236B, ASP70C, ASP92B, GLN93B, GLU233B, GLU240B, GLU33C, GLU65C, GLU8C, GLY100B, GLY66C, GLY68C, HIS178B, HIS91B, ILE103B, ILE10C, ILE115C, ILE238B, ILE89B, ILE90B, LEU107C, LEU113C, LEU239B, LEU64C, LYS112C, LYS127B, LYS179B, LYS241B, LYS37C, LYS62C, LYS95B, LYS9C, MET96B, PRO114C, PRO12C, SER111C, SER34C, SER99B, THR177B, THR35C, THR63C, TRP237B, TRP67C, TYR101B, TYR109C, TYR13C, TYR234B, TYR69C, TYR71C, TYR72C, TYR94B, VAL116C, VAL231B, VAL232B, VAL235B
• B-D: ALA104D, ALA183B, ALA190B, ALA220B, ALA55B, ALA56B, ALA97B, ALA99D, ARG171B, ARG173B, ARG224B, ARG37B, ARG54D, ARG84D, ASN51D, ASN80D, ASP102B, ASP103D, ASP189B, ASP194B, ASP49D, ASP75D, ASP81D, CYS191B, CYS219B, CYS40B, CYS50D, CYS58B, CYS87D, GLN169B, GLN221B, GLU217B, GLU60D, GLU93D, GLU98B, GLY100B, GLY102D, GLY105D, GLY142B, GLY173B, GLY193B, GLY196B, GLY197B, GLY216B, GLY218B, GLY226B, GLY41B, GLY56D, GLY57D, GLY59B, HIS174B, HIS38B, HIS53D, HIS57B, ILE151B, ILE16B, ILE176B, ILE212B, LEU101D, LEU146B, LEU33B, LEU39B, LEU52D, LEU55D, LEU59D, LYS150B, LYS170B, LYS175B, LYS188B, LYS192B, LYS58D, LYS76D, LYS95B, MET180B, MET96B, PHE59B, PHE74D, PHE82D, PRO225B, PRO37B, SER195B, SER214B, SER78D, SER79D, SER99B, THR213B, THR35B, THR83D, THR98D, TRP130D, TRP141B, TRP215B, TYR100D, TYR143B, TYR172B, TYR228B, TYR59B, TYR94B, VAL138B, VAL17B, VAL227B, VAL48D, VAL59B, VAL77D, VAL85D, VAL86D, VAL97D
• C-D: ALA104C, ALA104D, ALA132C, ALA132D, ALA139C, ALA139D, ALA16C, ALA16D, ARG108C, ARG108D, ARG128C, ARG128D, ARG142C, ARG142D, ARG22C, ARG22D, ASN138C, ASN138D, ASN61D, ASP103C, ASP103D, ASP121C, ASP121D, ASP124C, ASP124D, ASP137C, ASP137D, ASP32D, GLN15C, GLN15D, GLN23C, GLN23D, GLN26C, GLN26D, GLN30C, GLN30D, GLN5D, GLU133C, GLU133D, GLU134C, GLU134D, GLU33C, GLU33D, GLU39C, GLU39D, GLU8C, GLU8D, GLY102C, GLY102D, GLY105C, GLY105D, ILE10C, ILE10D, ILE115C, ILE115D, ILE136C, ILE136D, ILE25C, ILE25D, ILE42C, ILE42D, LEU107C, LEU107D, LEU27C, LEU27D, LEU36C, LEU36D, LEU40C, LEU40D, LEU41C, LEU41D, LEU7C, LEU7D, LYS126C, LYS126D, LYS131C, LYS131D, LYS135C, LYS135D, LYS21C, LYS21D, LYS37C, LYS37D, LYS9C, LYS9D, MET106C, MET106D, MET20D, PHE96C, PHE96D, PRO114C, PRO114D, PRO14C, PRO6C, PRO6D, SER34C, SER34D, THR119C, THR119D, THR28C, THR28D, THR35C, THR35D, THR98C, THR98D, TRP130C, TRP130D, TYR100C, TYR100D, TYR109C, TYR109D, TYR118C, TYR118D, TYR127C, TYR127D, TYR13C, TYR13D, VAL116C, VAL116D, VAL117C, VAL117D, VAL123C, VAL123D, VAL125C, VAL125D, VAL129C, VAL129D, VAL140C, VAL140D, VAL141C, VAL141D, VAL24C, VAL24D, VAL38C, VAL38D