2GSW

crystal structure of the putative nadph-dependent azobenzene fmn- reductase yhda from bacillus subtilis, northeast structural genomics target sr135

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: B-C
  • Int. Res.: 48
  • Norm. En. per Res.: -4.4122
• 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	-9.021	38.9944	-111.635	-81.6616	58	1	1	4906	0	6	11
A-C	-67.1644	-37.571	-304.584	-409.3193	111	11	7	12131	0	26	20
A-D	-91.0068	-34.036	-78.1849	-203.2276	47	11	1	3581	4	4	8
B-C	-94.2585	-34.0463	-83.4828	-211.7875	48	9	1	3620	4	4	8
B-D	-49.5254	-35.2477	-237.849	-322.6221	100	2	7	10452	0	26	20
C-D	-8.0018	43.5107	-176.079	-140.5701	65	28	1	6544	0	8	11

Interface residues

• A-B: ALA127A, ALA127B, ALA169A, ALA169B, ARG119A, ARG119B, ARG123A, ARG123B, ASN116A, ASN116B, ASN128A, ASN128B, GLN133A, GLN133B, GLU158A, GLU158B, GLU162A, GLU162B, GLY124A, GLY124B, GLY170A, GLY170B, ILE112A, ILE112B, ILE130A, ILE130B, LEU101A, LEU101B, LEU115A, LEU115B, LEU134A, LEU134B, LEU159A, LEU159B, LYS132A, LYS132B, LYS168A, LYS168B, LYS95A, LYS95B, LYS97A, LYS97B, PHE166A, PHE166B, PRO131A, PRO131B, PRO98A, PRO98B, THR120A, THR120B, TYR126A, TYR126B, TYR96A, TYR96B, VAL125A, VAL125B, VAL129A, VAL129B
• A-C: ALA114A, ALA114C, ALA46A, ALA46C, ALA81A, ALA81C, ALA85A, ALA85C, ARG119A, ARG119C, ARG11A, ARG11C, ARG123A, ARG123C, ASN113A, ASN113C, ASN116A, ASN116C, ASN117A, ASN117C, ASN43A, ASN43C, ASN84A, ASN84C, ASP87A, ASP87C, GLN48A, GLN48C, GLN93A, GLN93C, GLU45A, GLU45C, GLU47A, GLU47C, GLU73A, GLU73C, GLU92A, GLU92C, GLY110A, GLY110C, GLY124A, GLY124C, GLY44A, GLY44C, GLY77A, GLY77C, GLY80A, GLY80C, HIS13A, HIS13C, HIS75A, HIS75C, ILE112A, ILE112C, LEU34A, LEU34C, LEU39A, LEU39C, LEU82A, LEU82C, LEU86A, LEU86C, LEU89A, LEU89C, LYS109C, LYS12A, LYS12C, LYS83A, LYS83C, PHE37A, PHE37C, PHE42A, PHE42C, PHE88A, PHE88C, PHE94A, PHE94C, PRO10A, PRO10C, PRO40A, PRO40C, PRO72A, PRO72C, SER35A, SER35C, SER71A, SER71C, SER76A, SER76C, SER79A, SER79C, SER90A, SER90C, SER91A, SER91C, THR120A, THR120C, THR9A, THR9C, TYR126A, TYR126C, TYR74A, TYR74C, VAL121A, VAL121C, VAL125A, VAL125C, VAL38A, VAL38C, VAL41A, VAL41C
• A-D: ALA103A, ALA103D, ALA105A, ALA105D, ALA114A, ALA114D, ASN113A, ASN113D, ASN116A, ASN116D, ASP137A, ASP137D, GLN133A, GLN133D, GLU73A, GLU73D, GLY106A, GLY106D, GLY107A, GLY107D, GLY108A, GLY108D, GLY110A, GLY110D, GLY111A, GLY111D, HIS140A, HIS140D, ILE112A, ILE112D, LEU115A, LEU115D, LEU134A, LEU134D, LEU136A, LEU136D, LYS109A, LYS109D, PRO138A, PRO138D, SER76A, SER76D, VAL104D, VAL135A, VAL135D, VAL139A, VAL139D
• B-C: ALA103B, ALA103C, ALA105B, ALA105C, ALA114B, ALA114C, ASN113B, ASN113C, ASN116B, ASN116C, ASP137B, ASP137C, GLN133B, GLN133C, GLU73B, GLU73C, GLY106B, GLY106C, GLY107B, GLY107C, GLY108B, GLY108C, GLY110B, GLY110C, GLY111B, GLY111C, HIS140B, HIS140C, ILE112B, ILE112C, LEU115B, LEU115C, LEU134B, LEU134C, LEU136B, LEU136C, LYS109B, LYS109C, PRO138B, PRO138C, SER76B, SER76C, VAL104B, VAL104C, VAL135B, VAL135C, VAL139B, VAL139C
• B-D: ALA114B, ALA114D, ALA46B, ALA46D, ALA81B, ALA81D, ALA85B, ALA85D, ARG119B, ARG119D, ARG11B, ARG11D, ARG123B, ARG123D, ASN113B, ASN113D, ASN116B, ASN116D, ASN117B, ASN117D, ASN43B, ASN43D, ASN84B, ASN84D, ASP87B, ASP87D, GLN48B, GLN93B, GLU45B, GLU45D, GLU73B, GLU73D, GLU92B, GLU92D, GLY110D, GLY124B, GLY124D, GLY44B, GLY44D, GLY77B, GLY77D, GLY80B, GLY80D, HIS13B, HIS13D, HIS75B, HIS75D, ILE112B, ILE112D, LEU34B, LEU34D, LEU39B, LEU39D, LEU82B, LEU82D, LEU86B, LEU86D, LEU89B, LEU89D, LYS12B, LYS12D, LYS83B, LYS83D, PHE42B, PHE42D, PHE88B, PHE88D, PHE94B, PHE94D, PRO10B, PRO10D, PRO40B, PRO40D, PRO72B, PRO72D, SER35B, SER35D, SER76B, SER76D, SER79B, SER79D, SER90B, SER90D, SER91B, SER91D, THR120B, THR120D, THR9B, THR9D, TYR126B, TYR74B, TYR74D, VAL121B, VAL121D, VAL125B, VAL125D, VAL38B, VAL38D, VAL41B, VAL41D
• C-D: ALA127C, ALA127D, ALA167C, ALA167D, ALA169C, ALA169D, ARG119C, ARG119D, ARG123C, ARG123D, ASN116C, ASN116D, ASN128C, ASN128D, GLN133C, GLN133D, GLU158C, GLU158D, GLU161D, GLU162C, GLU162D, GLY124C, GLY124D, GLY170C, GLY170D, ILE112C, ILE112D, ILE130C, ILE130D, LEU101C, LEU101D, LEU115C, LEU115D, LEU134C, LEU134D, LEU159C, LEU159D, LEU163C, LEU163D, LYS132C, LYS132D, LYS168C, LYS168D, LYS95C, LYS95D, LYS97C, LYS97D, PHE166C, PHE166D, PHE94C, PHE94D, PRO131C, PRO131D, PRO98C, PRO98D, THR120C, THR120D, TYR126C, TYR126D, TYR96C, TYR96D, VAL125C, VAL125D, VAL129C, VAL129D