1OA2

comparison of family 12 glycoside hydrolases and recruited substitutions important for thermal stability

• Total interactions analyzed: 15
• Total true interactions: 6
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 103
  • Norm. En. per Res.: -2.9155
• 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	-48.1873	-6.9203	-245.185	-300.2926	103	13	4	8839	0	2	1
A-C	0.0	0.0	-0.0704	-0.0704	7	0	0	31	0	0	0
A-E	-35.6278	-26.6809	-54.7932	-117.1019	52	4	0	2252	2	4	7
C-D	-32.9776	-22.9595	-41.5923	-97.5294	54	8	0	2192	2	4	7
C-F	-5.1456	0.0	-194.816	-199.9616	110	6	4	8137	0	2	0
D-E	-24.3186	-6.5503	-247.756	-278.6248	107	16	4	9054	0	2	2

Interface residues

• A-B: ALA153A, ALA153B, ALA24A, ALA24B, ALA26A, ALA26B, ALA8A, ALA8B, ASN107A, ASN151A, ASN151B, ASN19A, ASN19B, ASN20A, ASN20B, ASN55A, ASN55B, ASN56A, ASN56B, ASP114A, ASP5A, ASP5B, ASP99A, CYS32B, CYS4A, CYS4B, GLN155A, GLN155B, GLN196A, GLN49A, GLN49B, GLN54B, GLN61B, GLN6A, GLN6B, GLU116A, GLU116B, GLU200A, GLU200B, GLY113A, GLY113B, GLY131B, GLY149B, GLY152A, GLY152B, GLY23A, GLY23B, GLY27A, GLY27B, GLY29A, GLY29B, GLY31A, GLY31B, GLY52A, GLY52B, GLY53A, GLY53B, HIS108A, HIS108B, ILE130A, ILE130B, LEU21A, LEU21B, LYS58A, LYS58B, MET154A, MET154B, PHE101A, PHE101B, PHE202B, PHE30A, PHE30B, SER112A, SER112B, SER25A, SER25B, SER28A, SER28B, SER3A, SER3B, SER51A, SER51B, SER59A, THR110A, THR203B, THR9A, TRP22A, TRP22B, TRP50A, TRP50B, TRP7A, TRP7B, TYR111A, TYR111B, TYR150A, TYR150B, TYR60A, VAL109A, VAL109B, VAL156A, VAL156B, VAL57A, VAL57B
• A-C: GLN134A, GLN134C, GLY135A, LYS183C, SER132A, SER132C, SER133A
• A-E: ALA161A, ALA161E, ARG93A, ARG93E, ASN164A, ASN164E, ASN91A, ASN91E, ASP126A, ASP126E, GLN162A, GLN162E, GLN54A, GLN54E, GLY122A, GLY122E, GLY125A, GLY125E, GLY128A, GLY128E, GLY204A, GLY204E, ILE127A, ILE127E, ILE92A, ILE92E, LYS123A, LYS123E, PRO129A, PRO129E, SER90A, SER90E, THR145A, THR145E, THR163A, THR163E, THR165A, THR165E, THR166A, THR166E, THR203A, THR203E, TRP120A, TRP120E, TRP85A, TRP85E, TYR124A, TYR124E, TYR147A, TYR147E, VAL160A, VAL160E
• C-D: ALA161C, ALA161D, ARG93C, ARG93D, ASN164C, ASN164D, ASN55D, ASN91C, ASN91D, ASP126C, ASP126D, GLN162C, GLN162D, GLN54C, GLN54D, GLY122C, GLY122D, GLY125C, GLY125D, GLY128C, GLY128D, GLY204C, GLY204D, ILE127C, ILE127D, ILE92C, ILE92D, LYS123C, LYS123D, PRO129C, PRO129D, SER51D, SER90C, SER90D, THR145C, THR145D, THR163C, THR163D, THR165C, THR165D, THR166C, THR166D, THR203C, THR203D, TRP120C, TRP120D, TRP85C, TRP85D, TYR124C, TYR124D, TYR147C, TYR147D, VAL160C, VAL160D
• C-F: ALA153C, ALA153F, ALA24C, ALA24F, ALA26C, ALA26F, ALA8C, ALA8F, ASN107C, ASN151C, ASN151F, ASN19C, ASN19F, ASN20C, ASN20F, ASN55C, ASN55F, ASN56C, ASN56F, ASN62F, ASP114C, ASP114F, ASP47C, ASP5C, ASP5F, ASP99F, CYS32C, CYS32F, CYS4C, CYS4F, GLN155F, GLN196F, GLN49C, GLN54C, GLN61C, GLN64F, GLN6C, GLN6F, GLU116C, GLU116F, GLU200C, GLU200F, GLY113C, GLY113F, GLY152C, GLY152F, GLY23C, GLY23F, GLY27C, GLY27F, GLY29C, GLY29F, GLY31C, GLY31F, GLY52C, GLY52F, GLY53C, GLY53F, HIS108C, HIS108F, ILE130C, ILE130F, LEU21C, LEU21F, LYS58C, LYS58F, MET154C, MET154F, PHE101C, PHE101F, PHE30C, PHE30F, SER112C, SER112F, SER18F, SER25C, SER25F, SER28C, SER28F, SER3C, SER3F, SER51C, SER51F, SER59C, SER59F, THR110C, THR110F, THR16F, THR203C, THR9C, THR9F, TRP22C, TRP22F, TRP48C, TRP50C, TRP50F, TRP7C, TRP7F, TYR111C, TYR111F, TYR150C, TYR150F, TYR60C, TYR60F, VAL109C, VAL109F, VAL156C, VAL156F, VAL57C, VAL57F
• D-E: ALA153D, ALA153E, ALA24D, ALA24E, ALA26D, ALA26E, ALA8D, ALA8E, ASN107D, ASN107E, ASN151D, ASN151E, ASN19D, ASN19E, ASN20D, ASN20E, ASN55D, ASN55E, ASN56D, ASN56E, ASN62E, ASP114E, ASP5D, ASP5E, ASP99E, CYS32D, CYS4D, CYS4E, GLN155D, GLN155E, GLN196E, GLN49D, GLN49E, GLN54D, GLN61D, GLN6D, GLN6E, GLU116D, GLU116E, GLU200D, GLU200E, GLY113D, GLY113E, GLY131D, GLY149D, GLY152D, GLY152E, GLY23D, GLY23E, GLY27D, GLY27E, GLY29D, GLY29E, GLY31D, GLY31E, GLY52D, GLY52E, GLY53D, HIS108D, HIS108E, ILE130D, ILE130E, LEU21D, LEU21E, LYS58D, LYS58E, MET154D, MET154E, PHE101D, PHE101E, PHE202D, PHE30D, PHE30E, SER112D, SER112E, SER18E, SER25D, SER25E, SER28D, SER28E, SER3D, SER3E, SER51D, SER51E, SER59D, SER59E, THR110D, THR110E, THR203D, THR9E, TRP22D, TRP22E, TRP50D, TRP50E, TRP7D, TRP7E, TYR111D, TYR111E, TYR150D, TYR150E, TYR60E, VAL109D, VAL109E, VAL156D, VAL156E, VAL57D, VAL57E