2C7F

the structure of a family 51 arabinofuranosidase, araf51, from clostridium thermocellum in complex with 1,5-alpha-l- arabinotriose.

• Total interactions analyzed: 15
• Total true interactions: 9
• Strongest Interaction:
  • Chains: B-F
  • Int. Res.: 83
  • Norm. En. per Res.: -3.2046
• 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	-25.5402	-37.9058	-187.428	-250.874	84	7	4	8115	3	35	37
A-D	-40.1677	-38.6341	-234.032	-312.8339	115	18	9	9431	0	75	56
A-F	-24.8117	-37.0362	-173.459	-235.3069	82	4	4	7741	3	34	37
B-C	-30.9324	-34.4654	-230.813	-296.2108	111	18	10	8809	0	77	56
B-F	-33.9667	-36.7726	-195.246	-265.9853	83	6	4	8198	3	34	37
C-D	-29.6285	-36.9259	-191.213	-257.7673	84	8	4	8164	3	34	37
C-E	-25.3399	-38.6375	-193.369	-257.3463	83	6	4	8155	3	34	37
D-E	-27.3681	-35.9714	-185.705	-249.0445	82	6	4	7929	3	34	36
E-F	-24.2671	-12.4958	-161.059	-197.8219	91	3	6	6689	0	65	44

Interface residues

• A-B: ALA198A, ALA96B, ARG130B, ARG190A, ARG197A, ARG313B, ARG89B, ARG91B, ARG92B, ASN103B, ASN126B, ASN137A, ASN143A, ASN72B, ASN76B, ASP134A, ASP152A, ASP175B, ASP186A, ASP203A, ASP234A, ASP81B, ASP88B, ASP94B, CYS136A, GLN179B, GLN308B, GLU101B, GLU140A, GLU187A, GLU187B, GLU193A, GLU194A, GLU80B, GLY128B, GLY131A, GLY146A, GLY147A, GLY176B, GLY181B, HIS144A, HIS182B, ILE100B, ILE132A, ILE191A, ILE202A, ILE314B, LEU139A, LEU93B, LEU95B, LYS149A, LYS183B, LYS200A, LYS98B, MET153A, MET174B, MET185B, MET199A, MET201A, PHE78B, PRO102B, PRO145A, PRO177B, PRO204A, PRO311B, PRO90B, SER133A, SER148A, SER151A, SER75B, SER99B, THR129B, THR184B, THR195A, TRP178B, TRP224B, TRP312B, TRP97B, TYR141A, TYR150A, TYR188B, TYR231A, TYR235A, VAL180B
• A-D: ALA226A, ALA226D, ALA271A, ALA271D, ALA278A, ALA278D, ARG267A, ARG267D, ARG281A, ARG281D, ARG344A, ARG344D, ARG443A, ARG443D, ARG5A, ARG5D, ASN395A, ASN395D, ASP11A, ASP11D, ASP217A, ASP217D, ASP230A, ASP230D, ASP264A, ASP264D, ASP274A, ASP274D, ASP441A, ASP441D, ASP9A, ASP9D, CYS273A, CYS273D, GLN223A, GLN223D, GLN391A, GLN391D, GLU225A, GLU225D, GLU405A, GLU405D, GLY444A, HIS404A, HIS404D, ILE14A, ILE14D, ILE270A, ILE270D, ILE276A, ILE276D, ILE394A, ILE394D, LEU390A, LEU390D, LYS10A, LYS10D, LYS13A, LYS13D, LYS216A, LYS216D, LYS277A, LYS277D, LYS279A, LYS279D, LYS280A, LYS280D, LYS283A, LYS283D, LYS403A, LYS403D, MET185A, MET185D, MET218A, MET218D, MET6A, MET6D, PHE221A, PHE221D, PHE265A, PHE265D, PRO219A, PRO219D, PRO222A, PRO222D, PRO392A, PRO392D, SER213A, SER213D, SER215A, SER215D, SER268A, SER268D, THR220A, THR220D, THR227A, THR227D, THR272A, THR272D, THR7A, THR7D, TRP224A, TRP224D, TYR12A, TYR12D, TYR275A, TYR275D, VAL228A, VAL269A, VAL269D, VAL393A, VAL393D, VAL442A, VAL8A, VAL8D
• A-F: ALA198F, ALA96A, ARG130A, ARG190F, ARG197F, ARG89A, ARG91A, ARG92A, ASN103A, ASN126A, ASN137F, ASN143F, ASN76A, ASP134F, ASP152F, ASP175A, ASP186F, ASP203F, ASP234F, ASP81A, ASP88A, ASP94A, CYS136F, GLN179A, GLN308A, GLU101A, GLU140F, GLU187A, GLU187F, GLU193F, GLU194F, GLU80A, GLY128A, GLY131F, GLY146F, GLY147F, GLY176A, GLY181A, HIS144F, HIS182A, ILE100A, ILE132F, ILE191F, ILE202F, ILE314A, LEU139F, LEU93A, LEU95A, LYS149F, LYS183A, LYS200F, LYS98A, MET153F, MET174A, MET185A, MET199F, MET201F, PHE78A, PRO102A, PRO145F, PRO177A, PRO204F, PRO311A, PRO90A, SER133F, SER148F, SER151F, SER75A, SER99A, THR129A, THR184A, THR195F, TRP178A, TRP224A, TRP312A, TRP97A, TYR141F, TYR150F, TYR188A, TYR231F, TYR235F, VAL180A
• B-C: ALA226B, ALA226C, ALA271B, ALA271C, ALA278B, ALA278C, ARG267B, ARG267C, ARG281B, ARG281C, ARG344B, ARG344C, ARG443B, ARG443C, ARG5B, ARG5C, ASN395B, ASN395C, ASP11B, ASP11C, ASP217B, ASP217C, ASP230B, ASP230C, ASP264B, ASP264C, ASP274B, ASP274C, ASP441B, ASP441C, ASP9B, ASP9C, CYS273B, CYS273C, GLN223B, GLN223C, GLN391B, GLN391C, GLU225B, GLU225C, GLU405B, GLU405C, GLY444C, HIS404B, ILE14B, ILE14C, ILE270B, ILE270C, ILE276B, ILE276C, ILE394B, ILE394C, LEU390B, LEU390C, LYS10C, LYS13B, LYS13C, LYS216B, LYS216C, LYS277B, LYS277C, LYS279B, LYS279C, LYS280B, LYS280C, LYS283B, LYS283C, LYS403B, LYS403C, MET185B, MET185C, MET218B, MET218C, MET6B, PHE221B, PHE221C, PHE265B, PHE265C, PRO219B, PRO219C, PRO222B, PRO222C, PRO392B, PRO392C, SER213B, SER213C, SER215B, SER215C, SER268B, SER268C, THR220B, THR220C, THR227B, THR227C, THR272B, THR272C, THR7B, THR7C, TRP224B, TRP224C, TYR12B, TYR12C, TYR275B, TYR275C, VAL269B, VAL269C, VAL393B, VAL393C, VAL442C, VAL8B, VAL8C
• B-F: ALA198B, ALA96F, ARG130F, ARG190B, ARG197B, ARG313F, ARG89F, ARG91F, ARG92F, ASN103F, ASN126F, ASN137B, ASN143B, ASN72F, ASN76F, ASP134B, ASP152B, ASP175F, ASP186B, ASP203B, ASP234B, ASP81F, ASP88F, ASP94F, CYS136B, GLN179F, GLN308F, GLU101F, GLU140B, GLU187B, GLU187F, GLU193B, GLU194B, GLU80F, GLY128F, GLY131B, GLY146B, GLY147B, GLY176F, GLY181F, HIS144B, HIS182F, ILE100F, ILE132B, ILE191B, ILE202B, ILE314F, LEU139B, LEU93F, LEU95F, LYS149B, LYS183F, LYS200B, LYS98F, MET153B, MET174F, MET199B, MET201B, PHE78F, PRO102F, PRO145B, PRO177F, PRO204B, PRO311F, PRO90F, SER133B, SER148B, SER151B, SER75F, SER99F, THR129F, THR184F, THR195B, TRP178F, TRP224F, TRP312F, TRP97F, TYR141B, TYR150B, TYR188F, TYR231B, TYR235B, VAL180F
• C-D: ALA198C, ALA96D, ARG130D, ARG190C, ARG197C, ARG313D, ARG89D, ARG91D, ARG92D, ASN103D, ASN126D, ASN137C, ASN143C, ASN72D, ASN76D, ASP134C, ASP152C, ASP175D, ASP186C, ASP203C, ASP234C, ASP81D, ASP88D, ASP94D, CYS136C, GLN179D, GLN308D, GLU101D, GLU140C, GLU187C, GLU187D, GLU193C, GLU194C, GLU80D, GLY128D, GLY131C, GLY146C, GLY147C, GLY176D, GLY181D, HIS144C, HIS182D, ILE100D, ILE132C, ILE191C, ILE202C, ILE314D, LEU139C, LEU93D, LEU95D, LYS149C, LYS183D, LYS200C, LYS98D, MET153C, MET174D, MET185D, MET199C, MET201C, PHE78D, PRO102D, PRO145C, PRO177D, PRO204C, PRO311D, PRO90D, SER133C, SER148C, SER151C, SER75D, SER99D, THR129D, THR184D, THR195C, TRP178D, TRP224D, TRP312D, TRP97D, TYR141C, TYR150C, TYR188D, TYR231C, TYR235C, VAL180D
• C-E: ALA198E, ALA96C, ARG130C, ARG190E, ARG197E, ARG313C, ARG89C, ARG91C, ARG92C, ASN103C, ASN126C, ASN137E, ASN143E, ASN72C, ASN76C, ASP134E, ASP152E, ASP175C, ASP186E, ASP203E, ASP234E, ASP81C, ASP94C, CYS136E, GLN179C, GLN308C, GLU101C, GLU140E, GLU187C, GLU187E, GLU193E, GLU194E, GLU80C, GLY128C, GLY131E, GLY146E, GLY147E, GLY176C, GLY181C, HIS144E, HIS182C, ILE100C, ILE132E, ILE191E, ILE202E, ILE314C, LEU139E, LEU93C, LEU95C, LYS149E, LYS183C, LYS200E, LYS98C, MET153E, MET174C, MET185C, MET199E, MET201E, PHE78C, PRO102C, PRO145E, PRO177C, PRO204E, PRO311C, PRO90C, SER133E, SER148E, SER151E, SER75C, SER99C, THR129C, THR184C, THR195E, TRP178C, TRP224C, TRP312C, TRP97C, TYR141E, TYR150E, TYR188C, TYR231E, TYR235E, VAL180C
• D-E: ALA198D, ALA96E, ARG130E, ARG190D, ARG197D, ARG313E, ARG89E, ARG91E, ARG92E, ASN103E, ASN126E, ASN137D, ASN143D, ASN76E, ASP134D, ASP152D, ASP175E, ASP186D, ASP203D, ASP234D, ASP81E, ASP88E, ASP94E, CYS136D, GLN179E, GLN308E, GLU101E, GLU140D, GLU187D, GLU187E, GLU193D, GLU194D, GLU80E, GLY128E, GLY131D, GLY146D, GLY147D, GLY176E, GLY181E, HIS144D, HIS182E, ILE100E, ILE132D, ILE191D, ILE202D, ILE314E, LEU139D, LEU93E, LEU95E, LYS149D, LYS183E, LYS200D, LYS98E, MET153D, MET174E, MET199D, MET201D, PHE78E, PRO102E, PRO145D, PRO177E, PRO204D, PRO311E, PRO90E, SER133D, SER148D, SER151D, SER75E, SER99E, THR129E, THR184E, THR195D, TRP178E, TRP224E, TRP312E, TRP97E, TYR141D, TYR150D, TYR188E, TYR231D, TYR235D, VAL180E
• E-F: ALA226E, ALA226F, ALA271E, ALA271F, ALA278E, ALA278F, ARG267E, ARG267F, ARG281E, ARG281F, ASN395E, ASN395F, ASP11E, ASP11F, ASP217E, ASP217F, ASP230E, ASP230F, ASP264E, ASP264F, ASP274E, ASP274F, ASP9E, ASP9F, CYS273E, CYS273F, GLN223E, GLN223F, GLN391E, GLN391F, GLU225E, GLU225F, GLU405E, GLU405F, ILE270E, ILE270F, ILE276E, ILE276F, ILE394E, ILE394F, LYS13E, LYS13F, LYS216E, LYS216F, LYS277E, LYS277F, LYS279E, LYS279F, LYS280E, LYS280F, LYS283E, LYS283F, LYS403E, MET185E, MET185F, MET218E, MET218F, PHE221E, PHE221F, PHE265E, PHE265F, PRO219E, PRO219F, PRO222E, PRO222F, PRO392E, PRO392F, SER213E, SER213F, SER215E, SER215F, SER268E, SER268F, THR220E, THR220F, THR227E, THR227F, THR272E, THR272F, THR7E, THR7F, TRP224E, TRP224F, TYR12E, TYR12F, TYR275E, TYR275F, VAL269E, VAL269F, VAL393E, VAL393F