3S6O

crystal structure of a polysaccharide deacetylase family protein from burkholderia pseudomallei

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 183
  • Norm. En. per Res.: -5.476
• 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	-93.4387	-284.8802	-623.788	-1002.1069	183	21	5	23427	26	102	99
A-C	0.0	0.0	-1.9129	-1.9129	13	0	0	222	0	4	2
A-D	-74.4163	-282.6826	-631.844	-988.943	186	26	5	23724	26	103	99
B-C	-85.3983	-296.0698	-621.858	-1003.3261	185	24	5	23328	25	102	99
B-D	0.0	0.0	-1.8313	-1.8313	14	0	0	210	0	4	3
C-D	-77.7779	-267.4003	-611.495	-956.6732	183	28	5	22844	22	103	99

Interface residues

• A-B: ALA106B, ALA116B, ALA152B, ALA219A, ALA225B, ALA233B, ALA243A, ALA254A, ALA275B, ALA62B, ALA63B, ALA64B, ALA67B, ALA82B, ARG109B, ARG115B, ARG130B, ARG155B, ARG168A, ARG16A, ARG175A, ARG223A, ARG223B, ARG241A, ARG265B, ARG269B, ARG272B, ARG274B, ARG278B, ARG68B, ARG81B, ARG86B, ARG89B, ARG9A, ASN172A, ASN220A, ASN231A, ASN231B, ASN43B, ASN6A, ASP10A, ASP136A, ASP169A, ASP188A, ASP192A, ASP193A, ASP218A, ASP221B, ASP234A, ASP234B, ASP242A, ASP245A, ASP4A, ASP92B, CYS44B, GLN135A, GLN228A, GLN228B, GLN277B, GLU108B, GLU112B, GLU119B, GLU201A, GLU249A, GLU250A, GLU253A, GLU38B, GLU39B, GLU42B, GLU53B, GLU58B, GLU73B, GLU77B, GLU90B, GLY104B, GLY13A, GLY15A, GLY167A, GLY191A, GLY229A, GLY229B, GLY268B, GLY271B, GLY40B, GLY41B, GLY48B, GLY61B, GLY79B, GLY83B, HIS110B, HIS133A, HIS174A, HIS17A, HIS189A, HIS235A, HIS235B, HIS238A, HIS282A, HIS286A, HIS47B, HIS69B, ILE107B, ILE12A, ILE212A, ILE59B, ILE75B, LEU113B, LEU11A, LEU120B, LEU148B, LEU194A, LEU217A, LEU240A, LEU247A, LEU266B, LEU267B, LEU276B, LEU46B, LEU88B, LYS256A, LYS93B, MET105B, MET198A, MET222A, MET222B, MET257A, MET258A, MET70B, MET72B, PHE117B, PHE196A, PHE224B, PHE230A, PHE230B, PHE236A, PHE237A, PHE244A, PHE273B, PHE3A, PHE55A, PRO111B, PRO171A, PRO18A, PRO195A, PRO214A, PRO227A, PRO227B, PRO270B, PRO5A, PRO66B, PRO8A, SER170A, SER259A, SER52B, SER57B, SER71B, SER74B, SER80B, THR173A, THR216A, THR226A, THR226B, THR232A, THR232B, TRP129B, TRP197A, TRP85B, TYR14A, TYR165A, TYR190A, TYR215A, TYR239A, TYR248A, TYR37B, TYR65B, TYR76B, TYR78B, TYR7A, VAL156B, VAL246A, VAL45B, VAL60B, VAL84B
• A-C: ASN231A, ASN231C, GLN228A, GLN228C, GLY229A, GLY229C, HIS235A, HIS235C, PHE230A, PHE230C, PRO227A, PRO227C, THR232A
• A-D: ALA106A, ALA116A, ALA152A, ALA219D, ALA225A, ALA233A, ALA243D, ALA254D, ALA275A, ALA62A, ALA63A, ALA64A, ALA67A, ALA82A, ARG109A, ARG115A, ARG130A, ARG155A, ARG168D, ARG16D, ARG175D, ARG223A, ARG223D, ARG241D, ARG265A, ARG269A, ARG272A, ARG274A, ARG278A, ARG68A, ARG81A, ARG86A, ARG89A, ARG9D, ASN172D, ASN220D, ASN231A, ASN231D, ASN43A, ASN6D, ASP10D, ASP136D, ASP169D, ASP188D, ASP192D, ASP193D, ASP218D, ASP221A, ASP234A, ASP234D, ASP242D, ASP245D, ASP4D, ASP92A, CYS44A, GLN135D, GLN228A, GLN228D, GLN277A, GLU108A, GLU112A, GLU119A, GLU201D, GLU249D, GLU250D, GLU253D, GLU38A, GLU39A, GLU42A, GLU53A, GLU58A, GLU73A, GLU77A, GLU90A, GLY104A, GLY13D, GLY15D, GLY167D, GLY191D, GLY229A, GLY229D, GLY268A, GLY271A, GLY40A, GLY41A, GLY48A, GLY61A, GLY79A, GLY83A, HIS110A, HIS133D, HIS174D, HIS17D, HIS189D, HIS235A, HIS235D, HIS238D, HIS282D, HIS286D, HIS47A, HIS69A, ILE107A, ILE12D, ILE212D, ILE59A, ILE75A, LEU113A, LEU11D, LEU120A, LEU148A, LEU194D, LEU217D, LEU240D, LEU247D, LEU266A, LEU267A, LEU276A, LEU46A, LEU88A, LYS256D, LYS93A, MET105A, MET198D, MET222A, MET222D, MET257D, MET258D, MET70A, MET72A, PHE117A, PHE196D, PHE224A, PHE230A, PHE230D, PHE236A, PHE236D, PHE237D, PHE244D, PHE273A, PHE3D, PHE55D, PRO111A, PRO171D, PRO18D, PRO195D, PRO214D, PRO227A, PRO227D, PRO270A, PRO5D, PRO66A, PRO8D, SER170D, SER259D, SER52A, SER57A, SER71A, SER74A, SER80A, THR166D, THR173D, THR216D, THR226A, THR226D, THR232A, THR232D, TRP129A, TRP197D, TRP85A, TYR14D, TYR165D, TYR190D, TYR215D, TYR239D, TYR248D, TYR37A, TYR65A, TYR76A, TYR78A, TYR7D, VAL156A, VAL200D, VAL246D, VAL45A, VAL60A, VAL84A
• B-C: ALA106C, ALA116C, ALA152C, ALA219B, ALA225C, ALA233B, ALA233C, ALA243B, ALA254B, ALA275C, ALA62C, ALA63C, ALA64C, ALA67C, ALA82C, ARG109C, ARG115C, ARG130C, ARG155C, ARG168B, ARG16B, ARG175B, ARG223B, ARG223C, ARG241B, ARG265C, ARG269C, ARG272C, ARG274C, ARG278C, ARG68C, ARG81C, ARG86C, ARG89C, ARG9B, ASN172B, ASN220B, ASN231B, ASN231C, ASN43C, ASN6B, ASP10B, ASP136B, ASP169B, ASP188B, ASP192B, ASP193B, ASP218B, ASP221C, ASP234B, ASP234C, ASP242B, ASP245B, ASP4B, ASP92C, CYS44C, GLN135B, GLN228B, GLN228C, GLN277C, GLU108C, GLU112C, GLU119C, GLU249B, GLU250B, GLU253B, GLU38C, GLU39C, GLU42C, GLU53C, GLU58C, GLU73C, GLU77C, GLU90C, GLY104C, GLY13B, GLY15B, GLY167B, GLY191B, GLY229B, GLY229C, GLY268C, GLY271C, GLY40C, GLY41C, GLY48C, GLY61C, GLY79C, GLY83C, HIS110C, HIS133B, HIS174B, HIS17B, HIS189B, HIS235B, HIS235C, HIS238B, HIS282B, HIS286B, HIS47C, HIS69C, ILE107C, ILE12B, ILE212B, ILE59C, ILE75C, LEU113C, LEU11B, LEU120C, LEU148C, LEU194B, LEU217B, LEU240B, LEU247B, LEU266C, LEU267C, LEU276C, LEU46C, LEU88C, LYS256B, MET105C, MET198B, MET222B, MET222C, MET257B, MET258B, MET70C, MET72C, PHE117C, PHE196B, PHE224C, PHE230B, PHE230C, PHE236B, PHE236C, PHE237B, PHE244B, PHE273C, PHE3B, PHE55B, PRO111C, PRO171B, PRO18B, PRO195B, PRO214B, PRO227B, PRO227C, PRO270C, PRO5B, PRO66C, PRO8B, SER170B, SER187B, SER259B, SER52C, SER57C, SER71C, SER74C, SER80C, THR173B, THR216B, THR226B, THR226C, THR232B, THR232C, TRP129C, TRP197B, TRP85C, TYR14B, TYR165B, TYR190B, TYR215B, TYR239B, TYR248B, TYR37C, TYR65C, TYR76C, TYR78C, TYR7B, VAL156C, VAL246B, VAL45C, VAL60B, VAL60C, VAL84C
• B-D: ASN231B, ASN231D, GLN228B, GLN228D, GLY229B, GLY229D, HIS235B, HIS235D, PHE230B, PHE230D, PRO227B, PRO227D, THR232B, THR232D
• C-D: ALA106D, ALA116D, ALA152D, ALA219C, ALA225D, ALA233D, ALA243C, ALA254C, ALA275D, ALA62D, ALA63D, ALA64D, ALA67D, ALA82D, ARG109D, ARG130D, ARG155D, ARG168C, ARG16C, ARG175C, ARG223C, ARG223D, ARG241C, ARG265D, ARG269D, ARG272D, ARG274D, ARG278D, ARG68D, ARG81D, ARG86D, ARG89D, ARG9C, ASN172C, ASN220C, ASN231C, ASN231D, ASN43D, ASN6C, ASP10C, ASP136C, ASP169C, ASP188C, ASP192C, ASP193C, ASP218C, ASP221D, ASP234C, ASP234D, ASP242C, ASP245C, ASP4C, CYS44D, GLN135C, GLN228C, GLN228D, GLN277D, GLU108D, GLU112D, GLU201C, GLU249C, GLU250C, GLU253C, GLU38D, GLU39D, GLU42D, GLU53D, GLU58D, GLU73D, GLU77D, GLU90D, GLY104D, GLY13C, GLY15C, GLY167C, GLY191C, GLY229C, GLY229D, GLY268D, GLY271D, GLY40D, GLY41D, GLY48D, GLY61D, GLY79D, GLY83D, HIS110D, HIS133C, HIS174C, HIS17C, HIS189C, HIS235C, HIS235D, HIS238C, HIS282C, HIS286C, HIS47D, HIS69D, ILE107D, ILE12C, ILE212C, ILE59D, ILE75D, LEU113D, LEU11C, LEU120D, LEU148D, LEU194C, LEU217C, LEU240C, LEU247C, LEU266D, LEU267D, LEU276D, LEU46D, LEU88D, LYS256C, LYS93D, MET105D, MET198C, MET222C, MET222D, MET257C, MET258C, MET70D, MET72D, PHE196C, PHE224D, PHE230C, PHE230D, PHE236C, PHE237C, PHE244C, PHE273D, PHE3C, PHE55C, PRO111D, PRO171C, PRO18C, PRO195C, PRO214C, PRO227C, PRO227D, PRO270D, PRO5C, PRO66D, PRO8C, SER170C, SER187C, SER259C, SER52D, SER57D, SER71D, SER74D, SER80D, THR166C, THR173C, THR216C, THR226C, THR226D, THR232C, THR232D, TRP129D, TRP197C, TRP85D, TYR134C, TYR14C, TYR165C, TYR190C, TYR215C, TYR239C, TYR248C, TYR37D, TYR65D, TYR76D, TYR78D, TYR7C, VAL156D, VAL200C, VAL246C, VAL45D, VAL60D, VAL84D