2COV

crystal structure of cbm31 from beta-1,3-xylanase

• Total interactions analyzed: 15
• Total true interactions: 12
• Strongest Interaction:
  • Chains: H-I
  • Int. Res.: 55
  • Norm. En. per Res.: -5.6092
• Hub Node: D(4)

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
D-E	-93.6008	-30.3707	-166.89	-290.8615	58	9	1	5872	5	26	23
D-F	-10.743	10.8914	-54.6187	-54.4703	35	0	0	1976	0	6	9
D-G	0.0	0.0	-59.876	-59.876	39	1	0	2458	0	2	2
D-H	-3.9985	10.7349	-48.4455	-41.7091	31	0	0	1794	0	6	8
E-G	0.0	10.914	-50.9354	-40.0213	32	1	0	1831	0	6	9
E-H	0.0	0.0	-59.0043	-59.0043	38	0	0	2451	0	2	2
E-I	-3.8981	11.0801	-53.8945	-46.7125	33	1	0	1945	0	6	9
F-G	-104.9278	-42.4263	-163.227	-310.5812	56	12	1	5452	8	25	20
F-H	-10.1029	11.454	-53.5242	-52.1731	34	0	0	1973	0	7	9
F-I	0.0	0.0	-58.9868	-58.9868	40	1	0	2438	0	2	2
G-I	-11.9303	11.1887	-53.1516	-53.8932	33	1	0	1928	0	6	9
H-I	-103.5098	-37.4198	-167.579	-308.5086	55	11	1	5576	8	26	21

Interface residues

• D-E: ARG449D, ARG449E, ARG459D, ARG459E, ASN387D, ASN387E, ASN460D, ASN460E, ASP384D, ASP384E, ASP385D, ASP385E, ASP439D, ASP439E, ASP448D, ASP448E, ASP458D, ASP458E, GLN452D, GLN452E, GLN454D, GLN454E, GLN455D, GLN455E, GLY451D, GLY451E, GLY453D, GLY453E, HIS400D, HIS400E, ILE456D, ILE456E, ILE461D, ILE461E, LEU442D, LEU442E, LEU457D, LEU457E, LYS403D, LYS403E, LYS441D, LYS441E, LYS445D, LYS445E, PHE386D, PHE386E, PHE444D, PHE444E, THR443D, THR443E, THR462E, TRP405D, TRP405E, TYR399E, TYR440D, TYR440E, VAL446D, VAL446E
• D-F: ALA434D, ARG459F, ASN415D, ASN415F, ASN433D, ASN460F, ASP416D, ASP416F, ASP439F, ASP458F, CYS413D, CYS418D, GLN394D, GLN438F, GLY437F, ILE461F, LEU414D, LEU419D, LEU436F, LEU442F, LYS430D, LYS441D, LYS441F, LYS445D, PHE432D, PHE463F, PRO420D, THR431D, THR462F, TYR411D, TYR417D, TYR440D, TYR440F, VAL412D, VAL435D
• D-G: ARG449G, ASN410D, ASN410G, ASP448D, ASP448G, CYS418D, CYS418G, GLN452D, GLN452G, GLN454D, GLN454G, GLU447D, GLU447G, GLY408D, GLY408G, GLY451D, GLY451G, GLY453D, GLY453G, ILE456D, ILE456G, LEU419D, LEU419G, LYS430D, LYS430G, LYS445D, LYS445G, PRO420D, PRO420G, TRP409D, TRP409G, TYR411D, TYR411G, TYR417D, TYR417G, TYR450D, TYR450G, VAL446D, VAL446G
• D-H: ALA434H, ARG459D, ASN415D, ASN415H, ASN433H, ASN460D, ASP416D, ASP416H, ASP439D, ASP458D, CYS413H, CYS418H, GLN394H, GLN438D, GLY437D, ILE461D, LEU414H, LEU419H, LEU442D, LYS441D, LYS441H, LYS445H, PHE432H, PRO420H, THR431H, THR462D, TYR411H, TYR417H, TYR440D, VAL412H, VAL435H
• E-G: ALA434G, ARG459E, ASN415E, ASN415G, ASN433G, ASN460E, ASP416E, ASP416G, ASP439E, ASP458E, CYS413G, CYS418G, GLN394G, GLN438E, GLY437E, ILE461E, LEU414G, LEU419G, LEU442E, LYS441E, LYS441G, LYS445G, PHE432G, PHE463E, PRO420G, THR431G, THR462E, TYR411G, TYR417G, TYR440E, TYR440G, VAL435G
• E-H: ARG449H, ASN410E, ASN410H, ASP448E, ASP448H, CYS418E, CYS418H, GLN452E, GLN452H, GLN454E, GLN454H, GLU447E, GLU447H, GLY408E, GLY408H, GLY451E, GLY451H, GLY453E, GLY453H, ILE456E, ILE456H, LEU419E, LEU419H, LYS430E, LYS430H, LYS445E, LYS445H, PRO420E, PRO420H, TRP409E, TRP409H, TYR411E, TYR411H, TYR417E, TYR417H, TYR450E, TYR450H, VAL446H
• E-I: ALA434E, ARG459I, ASN415E, ASN415I, ASN433E, ASN460I, ASP416E, ASP416I, ASP439I, ASP458I, CYS413E, CYS418E, GLN394E, GLN438I, GLY437I, ILE461I, LEU414E, LEU419E, LEU436I, LEU442I, LYS441E, LYS441I, LYS445E, PHE432E, PHE463I, PRO420E, THR431E, THR462I, TYR411E, TYR417E, TYR440I, VAL412E, VAL435E
• F-G: ARG449F, ARG449G, ARG459F, ARG459G, ASN387F, ASN387G, ASN460F, ASN460G, ASP384F, ASP384G, ASP385F, ASP385G, ASP439F, ASP439G, ASP448F, ASP448G, ASP458F, ASP458G, GLN383F, GLN383G, GLN452F, GLN452G, GLN454F, GLN454G, GLN455F, GLN455G, GLY451F, GLY451G, GLY453F, GLY453G, HIS400F, HIS400G, ILE456F, ILE456G, ILE461F, ILE461G, LEU442F, LEU442G, LEU457F, LEU457G, LYS403F, LYS441F, LYS441G, LYS445F, LYS445G, PHE386F, PHE386G, PHE444F, PHE444G, THR443F, THR443G, TRP405F, TRP405G, TYR440F, VAL446F, VAL446G
• F-H: ALA434F, ARG459H, ASN415F, ASN415H, ASN433F, ASN460H, ASP416F, ASP416H, ASP439H, ASP458H, CYS413F, CYS418F, GLN394F, GLN438H, GLY437H, ILE461H, LEU414F, LEU419F, LEU442H, LYS441F, LYS441H, LYS445F, PHE432F, PHE463H, PRO420F, THR431F, THR462H, TYR411F, TYR417F, TYR440F, TYR440H, VAL412F, VAL435F, VAL435H
• F-I: ARG449F, ARG449I, ASN410F, ASN410I, ASP448F, ASP448I, CYS418F, CYS418I, GLN452F, GLN452I, GLN454F, GLN454I, GLU447F, GLU447I, GLY408F, GLY408I, GLY451F, GLY451I, GLY453F, GLY453I, ILE456F, ILE456I, LEU419F, LEU419I, LYS430F, LYS430I, LYS445F, LYS445I, PRO420F, PRO420I, TRP409F, TRP409I, TYR411F, TYR411I, TYR417F, TYR417I, TYR450F, TYR450I, VAL446F, VAL446I
• G-I: ALA434I, ARG459G, ASN415G, ASN415I, ASN433I, ASN460G, ASP416G, ASP416I, ASP439G, ASP458G, CYS413I, CYS418I, GLN394I, GLN438G, GLY437G, ILE461G, LEU414I, LEU419I, LEU442G, LYS441G, LYS441I, LYS445I, PHE432I, PHE463G, PRO420I, THR431I, THR462G, TYR411I, TYR417I, TYR440G, TYR440I, VAL412I, VAL435I
• H-I: ARG449H, ARG449I, ARG459H, ARG459I, ASN387H, ASN387I, ASN460H, ASN460I, ASP384H, ASP384I, ASP385H, ASP385I, ASP439H, ASP439I, ASP448H, ASP448I, ASP458H, ASP458I, GLN452H, GLN452I, GLN454H, GLN454I, GLN455H, GLN455I, GLY451H, GLY451I, GLY453H, GLY453I, HIS400H, HIS400I, ILE456H, ILE456I, ILE461H, ILE461I, LEU442H, LEU442I, LEU457H, LEU457I, LYS403H, LYS403I, LYS441H, LYS441I, LYS445H, LYS445I, PHE386H, PHE386I, PHE444H, PHE444I, THR443H, THR443I, TRP405H, TRP405I, TYR440H, VAL446H, VAL446I