1LSS

ktn mja218 crystal structure in complex with nad+

• Total interactions analyzed: 6
• Total true interactions: 5
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 108
  • Norm. En. per Res.: -4.0493
• 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	-8.379	-128.5992	-300.351	-437.3292	108	12	27	15377	9	45	34
A-C	-4.415	-6.2563	-198.283	-208.9543	76	18	4	9065	2	27	25
A-D	0.0	0.0	-0.1551	-0.1551	4	0	0	50	0	2	4
B-C	0.0	0.0	-0.0004	-0.0004	2	0	0	1	0	1	3
C-D	-17.2043	-98.9283	-287.165	-403.2976	108	6	25	14668	5	42	31

Interface residues

• A-B: ALA122A, ALA122B, ALA123A, ALA123B, ALA16A, ALA16B, ALA71A, ALA71B, ALA96A, ALA96B, ARG10A, ARG10B, ARG132A, ARG132B, ARG97A, ARG97B, ASN124A, ASN124B, ASN92A, ASP113A, ASP113B, ASP67A, GLU100A, GLU100B, GLU102A, GLU102B, GLU108A, GLU119A, GLU119B, GLU127A, GLU127B, GLU131A, GLU131B, GLU21A, GLU76A, GLU76B, GLY12A, GLY12B, GLY9A, GLY9B, HIS24A, HIS24B, ILE101A, ILE101B, ILE121A, ILE121B, ILE126A, ILE126B, ILE130A, ILE130B, ILE26A, ILE26B, ILE3A, ILE3B, ILE4A, ILE5A, ILE5B, ILE70A, ILE70B, ILE95A, ILE95B, ILE98A, ILE98B, LEU120A, LEU120B, LEU129A, LEU129B, LEU15A, LEU15B, LEU19A, LEU19B, LYS104A, LYS104B, LYS128A, LYS128B, LYS17A, LYS17B, LYS22A, LYS22B, LYS38B, LYS93A, LYS93B, MET68A, MET68B, PRO118A, PRO118B, SER117A, SER117B, SER18A, SER18B, SER99A, SER99B, THR14A, THR14B, TYR125A, TYR125B, TYR13A, TYR13B, VAL114A, VAL114B, VAL115A, VAL115B, VAL116A, VAL116B, VAL11A, VAL11B, VAL72A, VAL72B
• A-C: ALA86A, ALA86C, ARG109A, ARG109C, ARG97C, ASN79A, ASN79C, ASP105A, ASP105C, ASP51A, ASP51C, CYS52A, CYS52C, GLU100A, GLU100C, GLU102A, GLU102C, GLU59A, GLU59C, GLU76A, GLU76C, GLU77A, GLU77C, GLY111A, GLY111C, GLY74A, GLY90C, ILE55A, ILE55C, ILE98A, ILE98C, LEU110A, LEU110C, LEU58A, LEU58C, LEU80A, LEU80C, LEU84A, LEU84C, LEU85A, LEU85C, LYS54A, LYS54C, LYS56A, LYS56C, LYS75A, LYS75C, LYS87A, LYS87C, MET81A, MET81C, PHE107A, PHE107C, SER82A, SER82C, SER83A, SER83C, SER88A, SER88C, SER99A, SER99C, THR53A, THR53C, THR57A, THR57C, THR73C, TYR103A, TYR103C, TYR89A, TYR89C, VAL106A, VAL106C, VAL112A, VAL112C, VAL78A, VAL78C
• A-D: ARG10D, LYS38D, LYS54A, LYS56A
• B-C: ARG10B, LYS54C
• C-D: ALA122C, ALA122D, ALA123C, ALA123D, ALA16C, ALA16D, ALA71C, ALA71D, ALA96C, ALA96D, ARG10C, ARG10D, ARG132C, ARG132D, ARG97C, ARG97D, ASN124C, ASN124D, ASP113C, ASP113D, ASP67C, GLU100C, GLU100D, GLU102C, GLU102D, GLU108D, GLU119C, GLU119D, GLU127C, GLU127D, GLU131C, GLU131D, GLU21C, GLU21D, GLU76D, GLY12C, GLY12D, GLY74C, GLY9C, GLY9D, HIS24C, HIS24D, ILE101C, ILE101D, ILE121C, ILE121D, ILE126C, ILE126D, ILE130C, ILE130D, ILE26C, ILE26D, ILE3C, ILE3D, ILE5C, ILE5D, ILE70C, ILE70D, ILE95C, ILE95D, ILE98C, ILE98D, LEU120C, LEU120D, LEU129C, LEU129D, LEU15C, LEU15D, LEU19C, LEU19D, LYS104C, LYS104D, LYS128C, LYS128D, LYS17C, LYS17D, LYS22C, LYS22D, LYS93C, LYS93D, MET68C, MET68D, PRO118C, PRO118D, SER117C, SER117D, SER18C, SER18D, SER20C, SER20D, SER99C, SER99D, THR14C, THR14D, TYR125C, TYR125D, TYR13C, TYR13D, VAL114C, VAL114D, VAL115C, VAL115D, VAL116C, VAL116D, VAL11C, VAL11D, VAL72C, VAL72D