1YIF

crystal structure of beta-1,4-xylosidase from bacillus subtilis, new york structural genomics consortium

• Total interactions analyzed: 6
• Total true interactions: 5
• Strongest Interaction:
  • Chains: B-C
  • Int. Res.: 82
  • Norm. En. per Res.: -4.0743
• 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	-102.6802	-64.4832	-510.405	-677.5684	210	14	4	18813	15	83	77
A-C	0.0	0.0	-0.2202	-0.2202	11	0	0	76	0	0	1
A-D	-29.814	-71.3757	-206.078	-307.2677	78	7	0	7197	6	50	57
B-C	-23.6462	-72.0187	-238.431	-334.0959	82	16	0	7987	7	52	58
C-D	-96.9513	-60.8401	-515.094	-672.8854	210	12	4	18962	17	83	77

Interface residues

• A-B: ALA405A, ALA405B, ALA419A, ALA419B, ALA97A, ALA97B, ARG148A, ARG148B, ARG151A, ARG151B, ARG346A, ARG346B, ASN103A, ASN103B, ASN122A, ASN122B, ASN142A, ASN142B, ASN401A, ASN401B, ASN447A, ASN447B, ASN519A, ASN519B, ASN66A, ASN66B, ASP100A, ASP100B, ASP146A, ASP146B, ASP150A, ASP150B, ASP425A, ASP425B, ASP515A, ASP515B, ASP62A, ASP62B, ASP90A, ASP90B, ASP95A, ASP95B, CYS101A, CYS101B, CYS437A, CYS437B, GLN160A, GLN160B, GLN377A, GLN377B, GLN403A, GLN403B, GLN404A, GLN404B, GLN421A, GLN421B, GLN444A, GLN444B, GLN512A, GLN512B, GLN514A, GLN514B, GLU352A, GLU352B, GLU369A, GLU369B, GLU400A, GLU400B, GLU415A, GLU415B, GLU426A, GLU426B, GLU427A, GLU427B, GLU433A, GLU433B, GLY125A, GLY125B, GLY155A, GLY155B, GLY171A, GLY171B, GLY367A, GLY367B, GLY500B, GLY501A, GLY501B, GLY517A, GLY517B, GLY518A, GLY518B, GLY65A, GLY65B, GLY70A, GLY70B, GLY71A, GLY71B, GLY96A, GLY96B, HIS102A, HIS102B, HIS147A, HIS147B, HIS152A, HIS368A, HIS368B, HIS424A, HIS424B, HIS520A, HIS520B, ILE149A, ILE149B, ILE431A, ILE431B, ILE436A, ILE436B, LEU121A, LEU121B, LEU144A, LEU144B, LEU169A, LEU169B, LEU371A, LEU371B, LEU428A, LEU428B, LEU434A, LEU434B, LEU446A, LEU446B, LYS120A, LYS120B, LYS168A, LYS172A, LYS172B, LYS449A, LYS449B, LYS64A, LYS64B, LYS92A, LYS92B, LYS99A, LYS99B, MET143A, MET143B, MET63A, MET63B, PHE126B, PHE375A, PHE375B, PHE402A, PHE402B, PHE440A, PHE440B, PHE442A, PHE442B, PRO173A, PRO173B, PRO445A, PRO445B, PRO67A, PRO67B, SER123A, SER123B, SER124A, SER124B, SER153A, SER153B, SER370A, SER370B, SER373A, SER373B, SER441A, SER441B, SER443A, SER443B, THR372A, THR372B, THR374A, THR374B, THR376A, THR376B, THR414A, THR414B, THR423A, THR423B, THR435A, THR435B, THR516A, THR516B, TRP145A, TRP145B, TRP417A, TRP417B, TRP98A, TRP98B, TYR104A, TYR104B, VAL158A, VAL158B, VAL175A, VAL175B, VAL58A, VAL58B, VAL91A, VAL91B, VAL93A, VAL93B, VAL94A, VAL94B
• A-C: ALA487A, ALA487C, ASN447A, ASN447C, ASN448A, ASN448C, ASP485A, ASP485C, ILE486A, ILE486C, LYS469A
• A-D: ARG151A, ARG151D, ARG182A, ARG182D, ARG207A, ARG207D, ARG280A, ARG280D, ASN230A, ASP150A, ASP150D, ASP181A, ASP181D, ASP238A, ASP238D, ASP272A, ASP272D, ASP273A, ASP273D, ASP274A, ASP274D, GLN244A, GLN244D, GLN278A, GLN278D, GLN279A, GLN279D, GLU203A, GLU203D, GLU209A, GLU209D, GLY204A, GLY204D, GLY205A, GLY205D, GLY240A, GLY240D, HIS152A, HIS152D, HIS210A, HIS210D, HIS237A, HIS237D, HIS270A, HIS270D, ILE149D, ILE276A, ILE276D, LEU184A, LEU184D, LYS183A, LYS183D, LYS469A, PHE154D, PHE277A, PHE277D, PHE503D, PRO231A, PRO231D, PRO239A, PRO239D, SER153D, SER235A, SER235D, SER275A, SER275D, THR180A, THR180D, THR185A, THR185D, THR206A, THR206D, THR234A, THR234D, TRP236A, TRP236D, TYR208A, TYR208D
• B-C: ALA211B, ARG151B, ARG151C, ARG182B, ARG182C, ARG207B, ARG207C, ARG280B, ARG280C, ASN230C, ASP150B, ASP150C, ASP181B, ASP181C, ASP238B, ASP238C, ASP272B, ASP272C, ASP273B, ASP273C, ASP274B, ASP274C, GLN244B, GLN244C, GLN278B, GLN278C, GLN279B, GLN279C, GLU203B, GLU203C, GLU209B, GLU209C, GLY204B, GLY204C, GLY205B, GLY205C, GLY240B, GLY240C, HIS152B, HIS152C, HIS210B, HIS210C, HIS237B, HIS237C, HIS270B, HIS270C, ILE149B, ILE276B, ILE276C, LEU184B, LEU184C, LYS183B, LYS183C, LYS469C, PHE154B, PHE154C, PHE277B, PHE277C, PHE503B, PHE503C, PRO231B, PRO231C, PRO239B, PRO239C, PRO271B, SER153B, SER235B, SER235C, SER275B, SER275C, THR180B, THR180C, THR185B, THR185C, THR206B, THR206C, THR234B, THR234C, TRP236B, TRP236C, TYR208B, TYR208C
• C-D: ALA405C, ALA405D, ALA419C, ALA419D, ALA97C, ALA97D, ARG148C, ARG148D, ARG151C, ARG151D, ARG346C, ARG346D, ASN103C, ASN103D, ASN122C, ASN122D, ASN142C, ASN142D, ASN401C, ASN401D, ASN447C, ASN447D, ASN519C, ASN519D, ASN66C, ASN66D, ASP100C, ASP100D, ASP146C, ASP146D, ASP150C, ASP150D, ASP425C, ASP425D, ASP515C, ASP515D, ASP62C, ASP62D, ASP90C, ASP90D, ASP95C, ASP95D, CYS101C, CYS101D, CYS437C, CYS437D, GLN160C, GLN160D, GLN377C, GLN377D, GLN403C, GLN403D, GLN404C, GLN404D, GLN421C, GLN421D, GLN444C, GLN444D, GLN512C, GLN512D, GLN514C, GLN514D, GLU352C, GLU352D, GLU369C, GLU369D, GLU400C, GLU400D, GLU415C, GLU415D, GLU426C, GLU426D, GLU427C, GLU427D, GLU433C, GLU433D, GLY125C, GLY125D, GLY155C, GLY155D, GLY171C, GLY171D, GLY367C, GLY367D, GLY500D, GLY501C, GLY501D, GLY517C, GLY517D, GLY518C, GLY518D, GLY65C, GLY65D, GLY70C, GLY70D, GLY71C, GLY71D, GLY96C, GLY96D, HIS102C, HIS102D, HIS147C, HIS147D, HIS152C, HIS368C, HIS368D, HIS424C, HIS424D, HIS520C, HIS520D, ILE149C, ILE149D, ILE431C, ILE431D, ILE436C, ILE436D, LEU121C, LEU121D, LEU144C, LEU144D, LEU169C, LEU169D, LEU371C, LEU371D, LEU428C, LEU428D, LEU434C, LEU434D, LEU446C, LEU446D, LYS120C, LYS120D, LYS168C, LYS172C, LYS172D, LYS449C, LYS449D, LYS64C, LYS64D, LYS92C, LYS92D, LYS99C, LYS99D, MET143C, MET143D, MET63C, MET63D, PHE126D, PHE375C, PHE375D, PHE402C, PHE402D, PHE440C, PHE440D, PHE442C, PHE442D, PRO173C, PRO173D, PRO445C, PRO445D, PRO67C, PRO67D, SER123C, SER123D, SER124C, SER124D, SER153C, SER153D, SER370C, SER370D, SER373C, SER373D, SER441C, SER441D, SER443C, SER443D, THR372C, THR372D, THR374C, THR374D, THR376C, THR376D, THR414C, THR414D, THR423C, THR423D, THR435C, THR435D, THR516C, THR516D, TRP145C, TRP145D, TRP417C, TRP417D, TRP98C, TRP98D, TYR104C, TYR104D, VAL158C, VAL158D, VAL175C, VAL175D, VAL58C, VAL58D, VAL91C, VAL91D, VAL93C, VAL93D, VAL94C, VAL94D