2RFW

crystal structure of cellobiohydrolase from melanocarpus albomyces

• Total interactions analyzed: 6
• Total true interactions: 4
• Strongest Interaction:
  • Chains: C-D
  • Int. Res.: 46
  • Norm. En. per Res.: -3.2716
• Hub Node: A(2)

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	-15.5764	0.0	-38.2083	-53.7847	55	22	0	3027	0	6	5
A-D	-10.6615	16.0494	-192.438	-187.0501	93	14	1	7332	0	39	34
B-C	-41.8168	27.1909	-203.003	-217.6289	91	34	0	7869	2	36	36
C-D	-27.9357	-72.7364	-49.8211	-150.4933	46	10	0	2355	6	19	19

Interface residues

• A-B: ALA21A, ALA21B, ALA30B, ARG18A, ARG18B, ARG356A, ASN112B, ASN121A, ASN125A, ASN24A, ASN24B, ASN29B, ASN352A, ASN353A, ASP115B, CYS19A, CYS19B, CYS25A, CYS25B, GLN118B, GLN26B, GLU126A, GLU151B, GLU293A, GLU294A, GLU31B, GLY113B, GLY124A, GLY23A, GLY23B, GLY422A, ILE424A, LEU122A, LEU355A, LYS116B, MET111B, MET119B, MET123A, PHE120A, PHE421A, PRO114B, PRO22A, PRO22B, PRO358A, PRO423A, PRO423B, SER426A, SER426B, THR20A, THR20B, THR27B, TRP16B, TYR117B, VAL28B, VAL357A
• A-D: ALA407A, ALA74A, ALA74D, ALA83A, ARG39A, ARG39D, ASN103A, ASN103D, ASN10A, ASN10D, ASN200A, ASN200D, ASN45D, ASN48A, ASN48D, ASN5A, ASN5D, ASP411A, ASP411D, ASP44D, ASP51A, ASP51D, ASP76A, ASP76D, CYS49D, GLU406A, GLU6A, GLU6D, GLU72A, GLU72D, GLU99A, GLU99D, GLU9A, GLU9D, GLY101A, GLY101D, GLY52A, GLY52D, GLY73A, GLY73D, GLY75A, GLY75D, GLY79A, GLY79D, GLY82A, GLY82D, HIS11A, HIS42A, HIS42D, HIS98A, HIS98D, ILE34A, LEU41D, LEU78A, LEU78D, LYS181D, LYS93A, LYS93D, LYS97A, LYS97D, MET46A, MET46D, PRO12A, PRO13A, PRO410A, PRO410D, PRO8A, PRO8D, SER84A, SER84D, THR102A, THR102D, THR7A, THR7D, THR80A, THR80D, THR85A, THR91A, THR96A, THR96D, TRP38A, TRP38D, TRP40A, TRP40D, TYR100A, TYR100D, TYR50D, TYR77A, TYR77D, TYR81A, TYR81D, VAL95A, VAL95D
• B-C: ALA74B, ALA74C, ALA83C, ARG39B, ARG39C, ASN103C, ASN10B, ASN10C, ASN200B, ASN200C, ASN45B, ASN48B, ASN48C, ASN5B, ASN5C, ASP411B, ASP411C, ASP44B, ASP51B, ASP76B, ASP76C, CYS49B, GLN47B, GLU6B, GLU6C, GLU72B, GLU72C, GLU99B, GLU99C, GLU9B, GLU9C, GLY101B, GLY101C, GLY4C, GLY52B, GLY73B, GLY73C, GLY75B, GLY75C, GLY79B, GLY79C, GLY82B, GLY82C, HIS42B, HIS42C, HIS98B, HIS98C, ILE34C, ILE71C, LEU41B, LEU41C, LEU78B, LEU78C, LYS181B, LYS93B, LYS93C, LYS97B, LYS97C, MET46B, MET46C, PRO12C, PRO410C, PRO8B, PRO8C, SER84B, SER84C, SER86C, THR102B, THR102C, THR56B, THR7B, THR7C, THR80B, THR80C, THR85C, THR91C, THR96B, THR96C, TRP38C, TRP40B, TRP40C, TYR100B, TYR100C, TYR167C, TYR50B, TYR77B, TYR77C, TYR81B, TYR81C, VAL95B, VAL95C
• C-D: ALA128D, ARG284D, ARG291C, ARG306C, ARG306D, ARG420D, ASN418D, ASP130D, ASP304C, ASP304D, ASP429C, ASP429D, ASP88D, GLN303D, GLU309C, GLU323C, GLY23D, GLY277C, GLY305C, GLY305D, GLY425C, ILE302C, ILE302D, ILE308C, ILE310C, LYS285D, LYS307C, LYS307D, PHE129D, PHE286D, PHE301C, PHE430C, PHE430D, PRO22C, SER283D, SER298C, SER321C, SER417D, THR279C, THR287D, THR427D, TYR300C, TYR428C, TYR428D, VAL131D, VAL288D