3GFQ

structure of yhda, k109l variant

• Total interactions analyzed: 6
• Total true interactions: 5
• Strongest Interaction:
  • Chains: C-D
  • Int. Res.: 112
  • Norm. En. per Res.: -3.7559
• 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	-69.638	-34.758	-320.863	-425.2591	117	11	9	13243	0	27	18
A-D	-19.5637	-51.5741	-29.6412	-100.779	32	3	1	1780	2	8	8
B-C	-8.2574	-67.2973	-93.5171	-169.0718	50	8	1	3698	4	12	9
B-D	-11.553	25.2661	-155.927	-142.2138	87	16	4	7481	0	6	9
C-D	-80.5903	-32.1865	-307.886	-420.6628	112	8	9	12731	0	26	18

Interface residues

• A-B: ALA114A, ALA114B, ALA46A, ALA46B, ALA81A, ALA81B, ALA85A, ALA85B, ARG119A, ARG119B, ARG11A, ARG11B, ARG123A, ARG123B, ARG17B, ASN113A, ASN113B, ASN116A, ASN116B, ASN117A, ASN117B, ASN43A, ASN43B, ASN84A, ASN84B, ASP87A, ASP87B, GLN48A, GLN48B, GLN93A, GLN93B, GLU45A, GLU45B, GLU73A, GLU73B, GLU92A, GLU92B, GLY124A, GLY124B, GLY14A, GLY14B, GLY44A, GLY44B, GLY77A, GLY77B, GLY80A, GLY80B, GLY8A, GLY8B, HIS13A, HIS13B, HIS75A, HIS75B, ILE112A, ILE112B, LEU34A, LEU34B, LEU39A, LEU39B, LEU82A, LEU82B, LEU86A, LEU86B, LEU89A, LEU89B, LYS12A, LYS12B, LYS83A, LYS83B, MET118A, MET118B, MET122A, MET122B, MET78A, MET78B, PHE37A, PHE37B, PHE42A, PHE42B, PHE88A, PHE88B, PHE94A, PHE94B, PRO10A, PRO10B, PRO40A, PRO40B, PRO72A, PRO72B, SER35A, SER35B, SER71A, SER71B, SER76A, SER76B, SER79A, SER79B, SER90A, SER90B, SER91A, SER91B, THR120A, THR120B, THR9A, THR9B, TYR126A, TYR126B, TYR74A, TYR74B, VAL121A, VAL121B, VAL125A, VAL125B, VAL38A, VAL38B, VAL41A, VAL41B
• A-D: ALA169D, ARG119A, ARG123A, ASN113A, ASN116A, ASN117A, ASN151D, GLN133A, GLU154D, GLU158D, GLU161D, GLU162D, GLU73A, GLY110A, GLY111A, ILE112A, ILE130A, LEU109A, LEU115A, LEU159D, LYS132D, LYS157D, LYS168D, MET165D, PHE166D, PRO131A, PRO131D, SER155D, SER76A, THR120A, TYR126A, VAL129A
• B-C: ALA114C, ALA127C, ALA167B, ALA169B, ARG119C, ARG123C, ASN113C, ASN116C, ASN117C, ASN128C, ASN151B, GLN133C, GLU150B, GLU154B, GLU158B, GLU161B, GLU162B, GLU73C, GLY107C, GLY108C, GLY110C, GLY111C, ILE112C, ILE130B, ILE130C, ILE152B, ILE156B, LEU101C, LEU109C, LEU115C, LEU134B, LEU159B, LEU163B, LYS132B, LYS132C, LYS153B, LYS157B, LYS168B, MET165B, PHE166B, PRO131B, PRO131C, SER155B, SER164B, SER76C, THR120C, TYR126C, VAL121C, VAL129C, VAL160B
• B-D: ALA103B, ALA103D, ALA105B, ALA105D, ALA127B, ARG119B, ARG119D, ARG123B, ARG123D, ASN113B, ASN113D, ASN116B, ASN116D, ASN117B, ASN117D, ASN128B, ASN128D, ASN151B, ASN151D, ASP137B, ASP137D, GLN133B, GLN133D, GLU158B, GLU158D, GLU162B, GLU162D, GLY106B, GLY107B, GLY107D, GLY108B, GLY108D, GLY110B, GLY110D, GLY111B, GLY111D, GLY124B, GLY124D, HIS140B, HIS140D, ILE112B, ILE112D, ILE130B, ILE130D, ILE152B, ILE152D, LEU101B, LEU101D, LEU102B, LEU109B, LEU109D, LEU115B, LEU115D, LEU134B, LEU134D, LEU136B, LEU136D, LEU159B, LEU159D, LYS132B, LYS132D, MET118B, MET118D, MET122B, MET122D, MET165B, MET165D, PHE166B, PHE166D, PRO131B, PRO131D, PRO138B, PRO98B, PRO98D, SER155B, SER155D, THR120B, THR120D, VAL121B, VAL121D, VAL129B, VAL129D, VAL135B, VAL135D, VAL139B, VAL139D, VAL99B
• C-D: ALA114C, ALA114D, ALA46C, ALA46D, ALA81C, ALA81D, ALA85C, ALA85D, ARG119C, ARG119D, ARG11C, ARG11D, ARG123C, ARG123D, ASN113C, ASN113D, ASN116C, ASN116D, ASN117C, ASN117D, ASN43C, ASN43D, ASN84C, ASN84D, ASP87C, ASP87D, GLN48C, GLN48D, GLN93D, GLU45C, GLU45D, GLU73C, GLU73D, GLU92C, GLU92D, GLY124C, GLY124D, GLY44C, GLY44D, GLY77C, GLY77D, GLY80C, GLY80D, HIS13C, HIS13D, HIS75C, HIS75D, ILE112C, ILE112D, LEU109C, LEU34C, LEU34D, LEU39C, LEU39D, LEU82C, LEU82D, LEU86C, LEU86D, LEU89C, LEU89D, LYS12C, LYS12D, LYS83C, LYS83D, MET118C, MET118D, MET122C, MET122D, MET78C, MET78D, PHE37C, PHE37D, PHE42C, PHE42D, PHE88C, PHE88D, PHE94C, PHE94D, PRO10C, PRO10D, PRO40C, PRO40D, PRO72C, PRO72D, SER35C, SER35D, SER71C, SER71D, SER76C, SER76D, SER79C, SER79D, SER90C, SER90D, SER91C, SER91D, THR120C, THR120D, THR9C, THR9D, TYR126C, TYR126D, TYR74C, TYR74D, VAL121C, VAL121D, VAL125C, VAL125D, VAL38C, VAL38D, VAL41C, VAL41D