3DD5

glomerella cingulata e600-cutinase complex

• Total interactions analyzed: 28
• Total true interactions: 13
• Strongest Interaction:
  • Chains: A-D
  • Int. Res.: 62
  • Norm. En. per Res.: -2.3225
• Hub Node: A(6)

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	-30.0375	0.0	-41.0759	-71.1134	49	7	0	2181	0	4	11
A-C	0.0	0.0	-0.7083	-0.7083	9	0	0	186	0	5	5
A-D	-36.0437	1.4463	-109.395	-143.9924	62	8	1	4252	0	5	6
A-E	0.0	0.0	-13.085	-13.085	32	0	0	915	0	2	3
A-F	0.0	0.0	-70.748	-70.748	33	1	4	2872	0	0	2
A-G	0.0	0.0	-12.381	-12.381	28	0	1	958	0	4	8
B-C	-16.9242	12.9228	-57.0664	-61.0678	46	2	3	2975	0	6	10
B-D	0.0	-2.5572	-15.5884	-18.1456	24	2	0	1017	0	1	2
B-H	-4.4646	5.0863	-15.5648	-14.9432	31	1	1	1102	0	5	10
C-E	0.0	10.4386	-12.4521	-2.0135	29	0	1	935	0	4	9
C-G	0.0	0.0	-15.7684	-15.7684	19	1	0	920	0	0	1
E-H	-3.6237	11.069	-58.0466	-50.6013	45	2	3	2604	0	6	8
F-G	-7.2394	1.3843	-53.3198	-59.1748	54	4	0	2947	1	11	9

Interface residues

• A-B: ALA128A, ALA128B, ALA129A, ALA129B, ALA221A, ALA221B, ALA45A, ARG222A, ARG222B, ASN122B, ASN127A, ASN127B, ASN155A, ASN155B, ASN82A, ASP83A, ASP83B, CYS125A, CYS125B, CYS46A, CYS46B, GLN156A, GLN156B, GLN220A, GLN220B, GLU179B, GLY224A, GLY224B, ILE153B, ILE223A, ILE223B, ILE78A, LYS158A, LYS158B, LYS182B, LYS48A, LYS48B, PRO126A, PRO126B, PRO47A, PRO47B, SER181B, SER43A, SER44A, THR152B, TYR79A, TYR79B, VAL49A, VAL49B
• A-C: ALA221C, ARG174A, ARG217C, ARG222C, GLU179A, SER181A, SER181C, THR151A, THR180A
• A-D: ALA128D, ALA129D, ALA221D, ALA45A, ALA45D, ALA81A, ARG222D, ARG35A, ASN122D, ASN127D, ASN155D, ASN36A, ASN82A, ASN82D, ASP83A, ASP83D, CYS125D, CYS46A, CYS46D, GLN156D, GLN220D, GLN31A, GLU37A, GLU39A, GLU76A, GLY159D, GLY224D, GLY41A, GLY80A, ILE130D, ILE153D, ILE157D, ILE223D, LEU120A, LEU219D, LEU38A, LYS124A, LYS158D, LYS182D, LYS48A, LYS48D, PRO126D, PRO47A, PRO47D, SER32A, SER33A, SER42A, SER42D, SER43A, SER43D, SER44A, SER44D, THR123D, THR152D, THR34A, THR40A, TRP85A, TYR79D, VAL131D, VAL49D, VAL84A, VAL86A
• A-E: ALA128E, ALA45E, ARG115A, ARG174A, ASN112A, ASN127E, ASN171A, ASN177A, ASN82E, ASP104A, ASP83E, CYS46E, GLN170A, GLN220E, GLY148A, GLY224E, ILE111A, ILE153A, ILE223E, ILE78E, LEU149A, LYS154A, LYS48E, PRO176A, PRO47E, SER108A, SER147A, SER150A, SER44E, THR151A, THR152A, TYR79E
• A-F: ALA190A, ALA192A, ALA98F, ASN100F, ASN168A, ASP104F, ASP191A, ASP96F, CYS194A, GLN170A, GLY196A, ILE189A, ILE200A, LEU102F, LEU169A, LEU172A, LEU198A, LEU198F, LEU201A, LEU94F, LEU97F, PHE101A, PHE101F, PHE199A, PHE199F, PRO103F, SER107F, SER108F, SER99F, THR106F, THR197A, TYR195A, VAL193A
• A-G: ALA190A, ALA214A, ALA81G, ARG217A, ARG35G, ARG77G, ASN36G, ASN82G, ASP188A, ASP210A, ASP73G, ASP83G, GLU184A, GLU37G, GLU76G, GLY80G, ILE189A, ILE78G, LEU75G, PHE218A, SER32G, SER33G, THR209A, THR34G, THR40G, TYR186A, TYR79G, VAL213A
• B-C: ALA190B, ALA211B, ALA212B, ALA214B, ALA215B, ALA221B, ALA221C, ALA45C, ALA81C, ARG217B, ARG217C, ARG222B, ARG77C, ASN82C, ASP188B, ASP210B, ASP83C, CYS187B, CYS46C, GLN208B, GLN220C, GLU184B, GLU76C, GLY224C, GLY41C, GLY80C, ILE189B, ILE223C, ILE78C, LEU206B, LEU219C, LEU75C, LYS48C, PHE218B, PRO216B, PRO216C, SER42C, SER43C, SER44C, THR209B, TRP85C, TYR186B, TYR195B, TYR207B, TYR79C, VAL213B
• B-D: ALA45B, ARG222D, ASN122B, ASN127B, ASN155D, CYS125B, GLU179D, GLY41B, LYS124B, LYS154D, LYS158D, LYS182D, PHE178D, PRO126B, SER181D, SER42B, SER43B, SER44B, THR119B, THR123B, THR151D, THR152B, THR152D, THR180D
• B-H: ALA190H, ALA214H, ALA74B, ALA81B, ARG217H, ARG35B, ARG77B, ASN36B, ASN82B, ASP188H, ASP191H, ASP210H, ASP73B, ASP83B, GLN31B, GLU184H, GLU37B, GLU76B, GLY80B, ILE189H, ILE78B, LEU206H, LEU75B, PHE218H, SER32B, THR209H, THR34B, THR40B, TYR186H, TYR79B, VAL213H
• C-E: ALA190C, ALA214C, ALA81E, ARG217C, ARG35E, ARG77E, ASN36E, ASN82E, ASP188C, ASP210C, ASP73E, ASP83E, GLU184C, GLU37E, GLU76E, GLY80E, ILE189C, ILE78E, LEU206C, PHE218C, SER32E, THR209C, THR34E, THR40E, TYR186C, TYR79E, VAL185C, VAL213C, VAL84E
• C-G: ALA45G, ASN127G, ASN155C, ASN177C, CYS125G, CYS46G, GLU179C, LYS124G, LYS154C, LYS182C, PHE178C, PRO126G, SER150C, SER42G, SER43G, SER44G, THR123G, THR151C, THR152C
• E-H: ALA190E, ALA211E, ALA214E, ALA215E, ALA221E, ALA221H, ALA45H, ALA81H, ARG217E, ARG222E, ARG77H, ASN82H, ASP188E, ASP210E, ASP83H, CYS187E, CYS46H, GLN208E, GLN220H, GLU184E, GLU76H, GLY224H, GLY41H, GLY80H, ILE189E, ILE223H, ILE78H, LEU206E, LEU219H, LEU75H, LYS48H, PHE218E, PRO216E, SER42H, SER43H, SER44H, THR209E, TRP85H, TYR186E, TYR195E, TYR207E, TYR79H, VAL213E, VAL49H, VAL84H
• F-G: ALA109F, ALA109G, ALA110F, ALA110G, ARG116F, ARG116G, ARG35F, ARG35G, ARG55F, ARG55G, ASN112F, ASN112G, ASN36F, ASN36G, ASN62F, ASN62G, GLN87F, GLN87G, GLU113F, GLU113G, GLU37F, GLU37G, GLU39F, GLU39G, GLY41G, GLY61F, GLY61G, GLY88F, GLY88G, GLY90F, GLY90G, GLY91F, GLY91G, LEU117F, LEU117G, LEU120F, LEU120G, LEU94F, LEU94G, LYS124F, PRO92F, PRO92G, SER107F, SER107G, SER108F, SER108G, SER32F, SER32G, THR34F, THR34G, THR40F, THR40G, TYR93F, TYR93G