3CEV

arginase from bacillus caldevelox, complexed with l-arginine

• Total interactions analyzed: 15
• Total true interactions: 7
• Strongest Interaction:
  • Chains: E-F
  • Int. Res.: 76
  • Norm. En. per Res.: -3.9287
• 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	-35.5999	-45.2332	-176.57	-257.4031	78	8	3	6372	9	31	34
A-C	-29.4594	-44.1954	-174.656	-248.3108	79	6	3	6353	9	32	34
B-C	-37.259	-85.9241	-179.659	-302.842	79	6	3	6496	10	31	34
B-D	-13.3479	-4.4468	-51.0543	-68.849	27	1	0	1865	2	18	15
D-E	-35.8542	-45.3924	-171.55	-252.7966	75	7	2	6350	10	31	33
D-F	-34.7247	-87.0848	-178.102	-299.9116	78	5	3	6494	9	32	35
E-F	-34.2874	-88.7151	-175.579	-298.5815	76	6	2	6417	10	33	33

Interface residues

• A-B: ALA123B, ALA254A, ALA259A, ALA261A, ALA288A, ARG175B, ARG186B, ARG200B, ARG205A, ARG205B, ARG249A, ARG35A, ASP178B, ASP199B, ASP231B, ASP234B, GLU179B, GLU181B, GLU197B, GLU208A, GLU250A, GLU250B, GLU256A, GLU260A, GLU296A, GLY173B, GLY202A, GLY202B, GLY229B, GLY244B, GLY245B, GLY295A, HIS196B, HIS252A, HIS40A, ILE185B, ILE190B, ILE192B, ILE211A, ILE243B, LEU171B, LEU177B, LEU201B, LEU230B, LEU246B, LEU253A, LEU258A, LEU298A, LEU39A, LYS182B, LYS183B, LYS191B, LYS281A, LYS297A, MET195B, MET203A, MET203B, MET207A, MET255A, MET257A, MET299A, SER176B, SER233B, SER251A, SER251B, SER284A, THR194B, THR204A, THR247A, THR247B, TYR193B, TYR248A, TYR248B, VAL174B, VAL198B, VAL206B, VAL242B, VAL285A
• A-C: ALA123A, ALA254C, ALA259C, ALA261C, ALA288C, ARG175A, ARG186A, ARG200A, ARG205A, ARG205C, ARG249C, ARG35C, ASP178A, ASP199A, ASP231A, ASP234A, ASP234C, GLU179A, GLU181A, GLU197A, GLU208C, GLU250A, GLU250C, GLU256C, GLU260C, GLU296C, GLY173A, GLY202A, GLY202C, GLY229A, GLY244A, GLY245A, GLY295C, HIS196A, HIS252C, HIS40C, ILE185A, ILE190A, ILE192A, ILE211C, ILE243A, LEU171A, LEU177A, LEU201A, LEU230A, LEU246A, LEU253C, LEU258C, LEU298C, LEU39C, LYS182A, LYS183A, LYS191A, LYS281C, LYS297C, MET195A, MET203A, MET203C, MET207C, MET255C, MET257C, MET299C, SER176A, SER233A, SER251A, SER251C, SER284C, THR194A, THR204C, THR247A, THR247C, TYR193A, TYR248A, TYR248C, VAL174A, VAL198A, VAL206A, VAL242A, VAL285C
• B-C: ALA123C, ALA254B, ALA259B, ALA261B, ALA288B, ARG175C, ARG186C, ARG200C, ARG205B, ARG205C, ARG249B, ARG35B, ASP178C, ASP199C, ASP231C, ASP234B, ASP234C, GLU179C, GLU181C, GLU197C, GLU208B, GLU250B, GLU250C, GLU256B, GLU260B, GLU296B, GLY173C, GLY202B, GLY202C, GLY229C, GLY244C, GLY245C, GLY295B, HIS196C, HIS252B, HIS40B, ILE185C, ILE190C, ILE192C, ILE211B, ILE243C, LEU171C, LEU177C, LEU201C, LEU230C, LEU246C, LEU253B, LEU258B, LEU298B, LEU39B, LYS182C, LYS183C, LYS191C, LYS281B, LYS297B, MET195C, MET203B, MET203C, MET207B, MET255B, MET257B, MET299B, SER176C, SER233C, SER251B, SER251C, SER284B, THR194C, THR204B, THR247B, THR247C, TYR193C, TYR248B, TYR248C, VAL174C, VAL198C, VAL206C, VAL242C, VAL285B
• B-D: ALA144B, ALA145B, ARG56D, GLN156B, GLN60D, GLU187B, GLU55D, GLU59D, GLY148B, GLY150B, HIS151B, HIS58D, ILE164B, LEU147B, LEU57D, LYS165B, LYS188B, LYS69D, PHE149B, PHE184B, PRO152B, PRO162B, PRO166B, SER146B, SER161B, THR129B, THR155B
• D-E: ALA123E, ALA254D, ALA259D, ALA261D, ALA288D, ARG175E, ARG186E, ARG200E, ARG205D, ARG249D, ARG35D, ASP178E, ASP199E, ASP231E, ASP234E, GLU179E, GLU181E, GLU197E, GLU208D, GLU250D, GLU250E, GLU256D, GLU260D, GLU296D, GLY173E, GLY202D, GLY202E, GLY229E, GLY244E, GLY245E, HIS196E, HIS252D, HIS40D, ILE185E, ILE190E, ILE192E, ILE211D, ILE243E, LEU171E, LEU177E, LEU201E, LEU230E, LEU246E, LEU253D, LEU258D, LEU298D, LYS182E, LYS183E, LYS191E, LYS281D, LYS297D, MET195E, MET203D, MET203E, MET207D, MET255D, MET257D, MET299D, SER176E, SER233E, SER251D, SER284D, SER292D, THR194E, THR204D, THR247D, THR247E, TYR193E, TYR248D, TYR248E, VAL174E, VAL198E, VAL206E, VAL242E, VAL285D
• D-F: ALA123D, ALA254F, ALA259F, ALA261F, ALA288F, ARG175D, ARG186D, ARG200D, ARG205F, ARG249F, ARG35F, ASP178D, ASP199D, ASP231D, ASP234D, ASP234F, GLU179D, GLU181D, GLU197D, GLU208F, GLU250D, GLU250F, GLU256F, GLU260F, GLU296F, GLY173D, GLY202D, GLY202F, GLY229D, GLY244D, GLY245D, GLY295F, HIS196D, HIS252F, HIS40F, ILE185D, ILE190D, ILE192D, ILE211F, ILE243D, LEU171D, LEU177D, LEU201D, LEU230D, LEU246D, LEU253F, LEU258F, LEU298F, LEU39F, LYS182D, LYS183D, LYS191D, LYS281F, LYS297F, MET195D, MET203D, MET203F, MET207F, MET255F, MET257F, MET299F, SER176D, SER233D, SER251D, SER251F, SER284F, THR194D, THR204F, THR247D, THR247F, TYR193D, TYR248D, TYR248F, VAL174D, VAL198D, VAL206D, VAL242D, VAL285F
• E-F: ALA123F, ALA254E, ALA259E, ALA261E, ALA288E, ARG175F, ARG186F, ARG200F, ARG205E, ARG249E, ARG35E, ASP178F, ASP199F, ASP231F, ASP234F, GLU179F, GLU181F, GLU197F, GLU208E, GLU250E, GLU250F, GLU256E, GLU260E, GLU296E, GLY173F, GLY202F, GLY229F, GLY244F, GLY245F, GLY295E, HIS196F, HIS252E, HIS40E, ILE185F, ILE190F, ILE192F, ILE211E, ILE243F, LEU171F, LEU177F, LEU201F, LEU230F, LEU246F, LEU253E, LEU258E, LEU298E, LEU39E, LYS182F, LYS183F, LYS191F, LYS281E, LYS297E, MET195F, MET203E, MET203F, MET207E, MET255E, MET257E, MET299E, SER176F, SER233F, SER251E, SER251F, SER284E, THR194F, THR204E, THR247E, THR247F, TYR193F, TYR248E, TYR248F, VAL174F, VAL198F, VAL206F, VAL242F, VAL285E