1S5A

crystal structure of putative isomerase from bacillus subtilis

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: B-C
  • Int. Res.: 89
  • Norm. En. per Res.: -4.404
• 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	-16.8875	-55.8244	-51.9483	-124.6601	32	2	0	1801	5	11	9
A-C	-7.0682	10.501	-17.564	-14.1313	18	2	0	743	4	11	11
A-D	-37.7046	-86.3798	-273.693	-397.7775	95	6	10	10527	4	14	18
B-C	-56.8748	-70.4457	-264.637	-391.9575	89	10	11	10124	6	13	16
B-D	-52.1857	-2.1524	-140.215	-194.553	79	7	3	6259	2	25	29
C-D	0.0	6.5204	-6.9456	-0.4253	9	0	0	249	0	1	2

Interface residues

• A-B: ALA18B, ALA75B, ALA82A, ARG105B, ARG115A, ARG121A, ARG14B, ASN85A, ASP83A, ASP94B, CYS93B, GLN92B, GLU113A, GLU22B, GLU5A, GLY95B, LEU21B, LYS15B, PHE73B, PRO103B, PRO76B, SER71B, SER72B, SER81A, SER84A, THR74B, THR77B, THR86A, TYR104B, TYR19B, VAL111A, VAL120A
• A-C: ALA36A, ARG121A, ARG121C, ARG123C, ARG50A, ARG50C, ASN35A, ASP33A, GLU113C, GLU34A, GLU39C, GLU52A, GLU52C, GLY53A, LYS49C, VAL120C, VAL37A, VAL37C
• A-D: ALA43A, ALA43D, ALA82A, ALA82D, ALA89A, ALA89D, ARG105D, ARG121A, ARG121D, ARG123A, ARG123D, ARG80A, ARG80D, ASN-1D, ASN127A, ASN127D, ASN85A, ASP124A, ASP124D, ASP83A, ASP83D, GLN106A, GLN106D, GLN92A, GLN92D, GLU113A, GLU113D, GLU133A, GLU133D, GLU39D, GLU45A, GLU45D, GLU90A, GLU90D, ILE109A, ILE109D, ILE112A, ILE112D, ILE88A, ILE88D, LEU129A, LEU129D, LEU2D, LYS132A, LYS132D, LYS49A, LYS49D, PHE139A, PHE40A, PHE40D, PHE6A, PHE6D, PHE91A, PHE91D, PRO128A, PRO128D, PRO41A, PRO41D, PRO44A, PRO44D, PRO76D, SER-2D, SER107A, SER107D, SER110A, SER110D, SER81A, SER81D, SER84A, SER84D, THR74D, THR77A, THR77D, THR86A, THR86D, TRP126A, TRP126D, TYR108A, TYR108D, TYR125A, TYR125D, TYR42A, TYR42D, TYR79A, TYR79D, VAL111A, VAL111D, VAL130A, VAL130D, VAL131A, VAL131D, VAL78A, VAL78D, VAL87A, VAL87D
• B-C: ALA43B, ALA43C, ALA82B, ALA82C, ALA89B, ALA89C, ARG121C, ARG123B, ARG123C, ARG80B, ARG80C, ASN127B, ASN127C, ASN85C, ASP124B, ASP124C, ASP83B, ASP83C, GLN106B, GLN106C, GLN92B, GLN92C, GLU113B, GLU113C, GLU133B, GLU133C, GLU39B, GLU45B, GLU45C, GLU90B, GLU90C, GLY137B, ILE109B, ILE109C, ILE112B, ILE112C, ILE88B, ILE88C, LEU129B, LEU129C, LYS132B, LYS132C, LYS49C, PHE139B, PHE139C, PHE40B, PHE40C, PHE6B, PHE91B, PHE91C, PRO128B, PRO128C, PRO41B, PRO41C, PRO44B, PRO44C, SER107B, SER107C, SER110B, SER110C, SER47B, SER81B, SER81C, SER84B, SER84C, THR77B, THR77C, THR86B, THR86C, TRP126B, TRP126C, TYR108B, TYR108C, TYR125B, TYR125C, TYR42B, TYR42C, TYR79B, TYR79C, VAL111B, VAL111C, VAL130B, VAL130C, VAL131B, VAL131C, VAL78B, VAL78C, VAL87B, VAL87C
• B-D: ALA0B, ALA0D, ALA18B, ALA18D, ALA75B, ALA75D, ALA82B, ALA89D, ALA9B, ALA9D, ARG14B, ARG14D, ARG80B, ARG80D, ASN-1B, ASN-1D, ASN4B, ASN4D, ASP116B, ASP24B, ASP94D, CYS10B, CYS10D, GLN92D, GLU11B, GLU11D, GLU22B, GLU22D, GLU5B, GLU7B, GLU7D, GLU90D, GLY117B, GLY95D, HIS69B, HIS69D, ILE88D, LEU13B, LEU13D, LEU21B, LEU21D, LEU2B, LEU2D, LEU31B, LEU70D, LYS15B, LYS15D, LYS23B, LYS23D, LYS8B, LYS8D, PHE16B, PHE16D, PHE6B, PHE6D, PHE73B, PHE73D, PHE91D, PRO76B, PRO76D, SER-2D, SER27B, SER71D, SER72D, SER81D, THR12B, THR12D, THR74B, THR74D, THR77B, THR77D, TYR19B, TYR19D, TYR79B, TYR79D, VAL78B, VAL78D, VAL87B, VAL87D
• C-D: ALA75D, ALA82C, ASP83C, ASP94D, GLN92D, PHE73D, SER72D, SER84C, THR74D