2DCY

crystal structure of bacillus subtilis family-11 xylanase

• Total interactions analyzed: 10
• Total true interactions: 6
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 96
  • Norm. En. per Res.: -2.3128
• Hub Node: A(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
A-B	-35.1632	0.0	-186.869	-222.0322	96	11	3	6886	0	4	5
A-C	0.0	0.0	-0.1033	-0.1033	5	0	0	33	0	0	0
A-D	0.0	-22.4543	-62.1055	-84.5598	49	0	3	3174	1	4	4
A-E	-25.2831	-0.7932	-90.3388	-116.4151	62	7	0	4362	0	5	9
B-C	-25.6505	-5.8484	-105.825	-137.3239	62	6	2	4583	0	8	4
B-E	0.0	0.0	-8.8552	-8.8552	20	0	0	452	0	1	4

Interface residues

• A-B: ALA115A, ALA115B, ARG112A, ARG112B, ARG122A, ARG122B, ARG89A, ARG89B, ASN114A, ASN114B, ASN32A, ASN32B, ASN35A, ASN35B, ASN61A, ASN61B, ASN63A, ASN63B, ASP11A, ASP11B, GLN127A, GLN127B, GLN175A, GLN175B, GLU172A, GLU172B, GLU78A, GLU78B, GLY12A, GLY12B, GLY13A, GLY13B, GLY14A, GLY14B, GLY173A, GLY173B, GLY34A, GLY34B, GLY62A, GLY62B, GLY86A, GLY86B, GLY92A, GLY92B, ILE15A, ILE15B, PHE125A, PHE125B, PHE36A, PHE36B, PRO116A, PRO116B, PRO90A, PRO90B, SER176A, SER176B, SER177A, SER177B, SER31A, SER31B, THR109B, THR10A, THR10B, THR110A, THR110B, THR111A, THR111B, THR123A, THR123B, THR124A, THR124B, THR126B, THR33A, THR33B, THR87A, THR87B, THR91A, THR91B, THR93A, THR93B, TRP129A, TRP129B, TRP30A, TRP30B, TRP9A, TYR113A, TYR113B, TYR174A, TYR174B, TYR65A, TYR65B, TYR80A, TYR88A, TYR88B, TYR94A, VAL16B
• A-C: ARG122A, ASN114A, THR87C, TYR113A, TYR88C
• A-D: ALA165A, ALA1D, ARG49D, ARG73A, ASN151D, ASN163A, ASN163D, ASN20A, ASP119A, ASP4A, ASP4D, GLN167A, GLN167D, GLN7A, GLY120A, GLY161D, GLY45A, GLY45D, ILE118A, LEU160D, LEU76A, LYS154D, PHE48D, PRO47D, SER117A, SER147D, SER162A, SER162D, SER2A, SER2D, SER46D, SER74A, THR123A, THR3A, THR43A, THR44A, THR44D, THR50D, THR72A, TRP164A, TRP164D, TRP185D, TRP42A, TRP42D, TRP6A, TRP71A, TYR166A, TYR5A, VAL150D
• A-E: ALA152E, ALA55A, ALA59A, ARG132A, ARG136A, ARG136E, ARG49E, ARG89A, ASN141A, ASN148E, ASN151E, ASN181A, ASN29A, ASN54A, ASN61A, ASP101E, GLN133A, GLY102E, GLY103E, GLY139A, GLY157E, GLY178A, GLY56A, GLY62A, GLY86A, HIS156E, ILE144E, ILE51E, LEU66A, LYS135A, LYS154E, LYS99E, PHE146E, PHE48E, PRO137A, PRO47E, PRO60A, SER100E, SER134A, SER140A, SER147E, SER155E, SER177A, SER179A, SER180A, SER46E, SER84A, THR104E, THR138A, THR143E, THR145E, THR50E, THR87A, THR97E, TRP153E, TRP58A, TRP85A, TYR105E, TYR88A, VAL150E, VAL57A, VAL98E
• B-C: ALA165B, ALA18B, ARG132C, ARG73B, ARG89C, ASN163B, ASN20B, ASN8B, ASP106C, ASP119B, ASP11B, ASP121B, ASP4B, GLN133C, GLN167B, GLN7B, GLY103C, GLY120B, GLY12B, GLY41B, GLY45B, GLY92C, GLY96C, HIS156C, ILE107C, ILE118B, ILE15B, LEU76B, LYS135C, LYS40B, LYS95C, LYS99C, PRO90C, SER117B, SER134C, THR104C, THR109C, THR10B, THR110C, THR123B, THR3B, THR43B, THR44B, THR87C, THR91C, THR93C, THR97C, TRP164B, TRP42B, TRP6B, TRP71B, TRP85C, TRP9B, TYR105C, TYR108C, TYR166B, TYR5B, TYR88C, TYR94C, VAL168B, VAL19B, VAL98C
• B-E: ARG89B, ASP106B, GLN133B, GLY92B, GLY96B, GLY96E, HIS156E, LYS95B, LYS95E, LYS99E, THR87B, THR91B, THR93B, THR93E, THR97B, THR97E, TYR108B, TYR88B, TYR94B, TYR94E