3M4F

structural insights into the acidophilic ph adaptation of a novel endo-1,4-beta-xylanase from scytalidium acidophilum

• Total interactions analyzed: 6
• Total true interactions: 5
• Strongest Interaction:
  • Chains: A-D
  • Int. Res.: 46
  • Norm. En. per Res.: -2.5526
• 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	0.0	-11.2184	-52.7386	-63.957	44	0	0	2443	0	5	10
A-C	-17.677	10.3321	-98.9578	-106.3027	47	4	1	3427	0	1	5
A-D	-32.1504	11.8407	-97.1091	-117.4188	46	5	1	3372	0	1	5
B-D	0.0	0.0	-0.0008	-0.0008	2	0	0	2	0	0	0
C-D	-11.3518	10.9736	-101.536	-101.9142	49	5	1	3517	0	1	5

Interface residues

• A-B: ALA176B, ALA79A, ARG157A, ARG161A, ASN170A, ASN170B, ASN173B, ASP127A, ASP127B, ASP74A, GLN177B, GLU125A, GLU125B, GLU160A, GLY122B, GLY128A, GLY128B, GLY164A, GLY169B, HIS178B, ILE75A, LEU121B, LEU124B, PHE172B, SER126A, SER126B, SER129A, SER129B, SER159A, SER163A, SER203A, SER205A, SER78A, THR123B, THR130A, THR130B, THR162A, THR165A, THR167A, THR167B, THR76A, TYR174B, TYR77A, VAL166A
• A-C: ALA200A, ALA200C, ALA48A, ALA79C, ALA83C, ARG161C, ASN25A, ASN45A, ASN82C, ASP111C, ASP38A, ASP41A, ASP56C, CYS53A, CYS53C, GLN43A, GLU160C, GLU46A, GLY110C, GLY196C, GLY198C, GLY47A, GLY49A, GLY54C, GLY84C, GLY85C, LEU65A, LEU90C, PHE42A, SER108C, SER197C, SER199C, SER201A, SER201C, SER203A, SER86C, THR162C, THR50A, THR52A, THR80C, TRP55C, TYR109C, TYR44A, TYR51A, TYR81C, VAL202A, VAL32A
• A-D: ALA200A, ALA200D, ALA48D, ALA79A, ALA83A, ARG161A, ASN45D, ASN82A, ASP111A, ASP38D, ASP41D, ASP56A, CYS53A, CYS53D, GLN43D, GLU160A, GLU46D, GLY110A, GLY196A, GLY198A, GLY47D, GLY49D, GLY54A, GLY84A, GLY85A, LEU65D, LEU90A, PHE42D, SER108A, SER197A, SER199A, SER201A, SER201D, SER203D, SER86A, THR162A, THR50D, THR52D, THR80A, TRP55A, TYR109A, TYR44D, TYR51D, TYR81A, VAL202D, VAL32D
• B-D: PRO26D, THR123B
• C-D: ALA200C, ALA200D, ALA48C, ALA79D, ALA83D, ARG161D, ASN34C, ASN45C, ASN82D, ASP111D, ASP38C, ASP41C, ASP56D, CYS53C, CYS53D, GLN43C, GLU160D, GLU46C, GLY110D, GLY196D, GLY198D, GLY37C, GLY47C, GLY49C, GLY54D, GLY84D, GLY85D, LEU65C, LEU90D, PHE42C, SER108D, SER163D, SER197D, SER199D, SER201C, SER201D, SER203C, SER86D, THR162D, THR50C, THR52C, THR80D, TRP55D, TYR109D, TYR44C, TYR51C, TYR81D, VAL202C, VAL32C