3AMQ

e134c-cellobiose co-crystal of cellulase 12a from thermotoga maritima

• Total interactions analyzed: 6
• Total true interactions: 3
• Strongest Interaction:
  • Chains: A-D
  • Int. Res.: 66
  • Norm. En. per Res.: -3.1886
• Hub Node: A(1)

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-D	-39.0551	-28.8715	-142.519	-210.4456	66	5	2	5871	2	19	17
B-D	-31.3145	-28.9546	-141.006	-201.2751	65	6	3	5697	4	32	28
C-D	-20.1219	-12.5728	-95.8414	-128.5361	68	3	0	4054	0	21	21

Interface residues

• A-D: ALA80A, ALA80D, ARG256A, ARG256D, ASN15A, ASN15D, ASP11D, ASP252A, GLU254A, GLU254D, GLU257A, GLU81A, GLU81D, GLY16A, GLY16D, GLY41D, GLY82A, GLY82D, ILE17A, ILE17D, LEU19A, LEU19D, LEU253A, LEU253D, LEU85A, LEU85D, LYS123A, LYS123D, LYS84A, LYS84D, LYS93A, LYS93D, MET1D, MET21D, PHE12A, PHE12D, PHE39D, PRO18A, PRO18D, PRO86A, PRO86D, PRO88A, PRO88D, SER83A, SER83D, SER90A, SER90D, SER91A, SER91D, THR79A, THR79D, TRP14A, TRP14D, TYR124A, TYR124D, TYR222A, TYR222D, TYR70A, TYR70D, VAL13A, VAL13D, VAL255A, VAL255D, VAL2D, VAL87A, VAL87D
• B-D: ALA240B, ALA240D, ALA36B, ALA36D, ALA48B, ALA48D, ASP40B, ASP40D, ASP47B, ASP47D, ASP49B, ASP49D, GLN241B, GLN241D, GLN51D, GLU106D, GLY243B, GLY243D, GLY33B, GLY33D, HIS104B, HIS104D, HIS105D, ILE50B, ILE50D, LEU23B, LEU23D, LEU3B, LEU3D, LYS245B, LYS245D, LYS38B, LYS38D, LYS43B, LYS43D, LYS6B, LYS6D, MET1B, MET1D, MET37B, MET37D, MET4B, MET4D, PHE242B, PHE242D, PHE39B, PHE46B, PHE46D, SER10B, SER32B, SER32D, SER34B, SER34D, THR45B, THR45D, THR5B, THR5D, TRP244B, TRP244D, TYR31B, TYR31D, VAL2B, VAL2D, VAL35B, VAL35D
• C-D: ARG184C, ARG184D, ASN142C, ASN142D, ASN143C, ASN143D, ASP187C, ASP187D, GLU106C, GLU106D, GLU149C, GLU149D, GLU153C, GLU170C, GLU170D, GLU236C, GLU236D, GLU59C, GLY147C, GLY147D, GLY148D, GLY233C, GLY233D, HIS105C, HIS105D, LEU109C, LEU109D, LEU111D, LEU144C, LEU144D, LEU53C, LYS150C, LYS150D, LYS186C, LYS186D, LYS190C, LYS190D, LYS238C, LYS238D, PHE141C, PHE141D, PRO107C, PRO107D, PRO110C, PRO110D, PRO146D, PRO188C, PRO188D, PRO235C, PRO235D, PRO58C, SER108C, SER108D, SER234C, SER234D, SER239C, SER239D, THR145C, THR145D, THR237C, THR237D, TRP138D, TRP172C, TRP172D, TYR140C, TYR140D, TYR61C, TYR61D