3LFH

crystal structure of manxa from thermoanaerobacter tengcongensis

• Total interactions analyzed: 15
• Total true interactions: 12
• Strongest Interaction:
  • Chains: C-D
  • Int. Res.: 152
  • Norm. En. per Res.: -4.2831
• Hub Node: A(5)

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	-97.9823	-8.3899	-546.485	-652.8572	162	20	13	22691	0	35	38
A-C	-40.4875	0.0	-108.57	-149.0575	57	9	3	4968	0	12	13
A-D	0.0	0.0	-0.0129	-0.0129	7	0	0	15	0	1	0
A-E	-9.7682	3.9859	-8.4623	-14.2446	13	1	0	329	0	6	8
A-F	0.0	0.0	-1.24	-1.24	6	0	0	159	0	6	8
B-C	0.0	0.0	-12.4905	-12.4905	17	0	1	652	0	1	0
B-D	-20.3493	-2.2354	-35.4848	-58.0695	34	1	0	1819	0	8	11
B-E	0.0	-2.8046	-17.7267	-20.5313	19	0	0	1079	0	5	4
B-F	-9.9294	2.8232	-20.8025	-27.9087	24	1	0	1192	0	19	16
C-D	-104.5748	-18.7062	-527.745	-651.026	152	18	11	21005	1	26	36
C-E	-3.3159	0.3608	-12.9714	-15.9265	17	0	0	645	0	9	9
E-F	-90.6514	-6.7328	-534.524	-631.9082	162	20	11	21969	0	36	44

Interface residues

• A-B: ALA22A, ALA22B, ALA79A, ALA79B, ASN117A, ASN117B, ASN38A, ASN38B, ASN77A, ASN95A, ASN95B, ASP124A, ASP124B, ASP13A, ASP13B, ASP41A, ASP41B, ASP69A, ASP69B, ASP87A, GLU101A, GLU101B, GLU113A, GLU113B, GLU116A, GLU116B, GLU130B, GLU138B, GLU23A, GLU23B, GLU85A, GLY122A, GLY122B, GLY125A, GLY125B, GLY12A, GLY12B, GLY15A, GLY15B, GLY17A, GLY17B, GLY21A, GLY21B, GLY27A, GLY27B, GLY36A, GLY36B, GLY40A, GLY40B, GLY72A, GLY72B, GLY73A, GLY73B, GLY93A, GLY93B, HIS11A, HIS11B, HIS140B, HIS141B, ILE118A, ILE118B, ILE121A, ILE121B, ILE126A, ILE126B, ILE129A, ILE129B, ILE25A, ILE25B, ILE26A, ILE26B, ILE43A, ILE65A, ILE65B, ILE66A, ILE66B, ILE91A, ILE91B, ILE94A, ILE94B, LEU114A, LEU114B, LEU115A, LEU115B, LEU134B, LEU137B, LEU18A, LEU18B, LEU19A, LEU19B, LEU37A, LEU37B, LEU39A, LEU39B, LEU70A, LEU70B, LEU80A, LEU80B, LEU99A, LEU99B, LYS120A, LYS120B, LYS123A, LYS123B, LYS127A, LYS127B, LYS131B, LYS135B, LYS16A, LYS16B, LYS28A, LYS28B, LYS84A, LYS89A, LYS89B, MET82A, MET83A, MET83B, MET96A, MET96B, MET98A, MET98B, PHE14A, PHE14B, PHE71A, PHE71B, PHE76A, PHE76B, PRO75A, PRO75B, PRO97A, PRO97B, SER119A, SER119B, SER132B, SER133B, SER20A, SER20B, SER74A, SER74B, SER81A, THR10A, THR10B, THR111A, THR111B, THR112A, THR112B, THR92A, THR92B, TYR86A, VAL100A, VAL100B, VAL128A, VAL128B, VAL24A, VAL24B, VAL68A, VAL68B, VAL88A, VAL88B, VAL90A, VAL90B
• A-C: ALA22A, ALA79C, ARG47C, ASN107A, ASN117A, ASN31A, ASN38C, ASN42C, ASN77C, ASP110A, ASP41C, GLN29A, GLU101A, GLU113A, GLU23A, GLU30A, GLU44C, GLU51C, GLU85C, GLY21A, GLY27A, GLY40C, GLY72C, GLY73C, ILE106A, ILE118A, ILE121A, ILE25A, ILE26A, ILE43C, ILE78C, LEU102A, LEU103A, LEU114A, LEU37C, LEU39C, LEU80C, LYS28A, LYS48C, LYS4A, LYS84C, MET1A, MET82C, MET83C, PHE71C, PHE76C, PRO75C, SER105A, SER74C, SER81C, THR104A, TYR109A, VAL100A, VAL108A, VAL24A, VAL45C, VAL46C
• A-D: ILE129A, ILE129D, ILE25A, ILE25D, TYR109A, VAL108D, VAL24D
• A-E: GLN29A, GLU113E, GLU116E, GLU23A, GLU30A, GLY27A, ILE26A, LYS120E, LYS123E, LYS28A, LYS89E, THR112E, VAL24A
• A-F: GLU130F, HIS33A, ILE129F, LYS131F, LYS28A, VAL128F
• B-C: ASN38B, ASN38C, ASN42C, ASP41B, ASP41C, GLY12B, GLY40B, GLY40C, GLY73B, HIS11B, ILE43B, LEU37B, LEU39B, LEU39C, LEU70B, PRO75B, SER74B
• B-D: ALA22D, ARG47B, ASN107D, ASN77B, GLN29D, GLU101D, GLU23D, GLU30D, GLU3D, GLU44B, GLY27D, GLY72B, GLY73B, HIS11B, ILE106D, ILE25D, ILE26D, ILE43B, ILE78B, LEU103D, LEU70B, LEU80B, LYS28D, LYS84B, PHE71B, PHE76B, PRO75B, SER105D, SER74B, SER81B, THR104D, VAL100D, VAL108D, VAL24D
• B-E: ASN117E, ASN38B, ASN42B, ASP124E, ASP41B, GLU116E, GLY122E, GLY125E, GLY40B, ILE126E, LEU37B, LEU39B, LYS120E, LYS123E, LYS127E, SER119E, SER133E, VAL128E, VAL45B
• B-F: ASN117F, ASN38B, ASN42B, ASP124F, ASP41B, GLU113F, GLU116F, GLU49B, GLY36B, GLY40B, ILE43B, LEU115F, LEU37B, LEU39B, LYS120F, LYS123F, LYS48B, LYS52B, SER119F, THR112F, TYR109F, VAL35B, VAL45B, VAL46B
• C-D: ALA22C, ALA22D, ALA79C, ALA79D, ASN117C, ASN117D, ASN38C, ASN38D, ASN95C, ASN95D, ASP124C, ASP124D, ASP13C, ASP13D, ASP41C, ASP41D, ASP69C, ASP69D, ASP87D, GLU101C, GLU101D, GLU113D, GLU116C, GLU116D, GLU130C, GLU23C, GLU23D, GLY122C, GLY122D, GLY125C, GLY125D, GLY12C, GLY12D, GLY15C, GLY15D, GLY17C, GLY17D, GLY21C, GLY21D, GLY27C, GLY27D, GLY36C, GLY36D, GLY40C, GLY40D, GLY72C, GLY72D, GLY73C, GLY73D, GLY93C, GLY93D, HIS11C, HIS11D, ILE118C, ILE118D, ILE121C, ILE121D, ILE126C, ILE126D, ILE129C, ILE129D, ILE25C, ILE25D, ILE26C, ILE26D, ILE43C, ILE65C, ILE65D, ILE66C, ILE66D, ILE91C, ILE91D, ILE94C, ILE94D, LEU114C, LEU114D, LEU115C, LEU115D, LEU134C, LEU18C, LEU18D, LEU19C, LEU19D, LEU37C, LEU37D, LEU39C, LEU39D, LEU70C, LEU70D, LEU80C, LEU80D, LEU99C, LEU99D, LYS120C, LYS120D, LYS123C, LYS123D, LYS127C, LYS127D, LYS131C, LYS16C, LYS16D, LYS28C, LYS84D, LYS89C, LYS89D, MET83C, MET83D, MET96C, MET96D, MET98C, MET98D, PHE14C, PHE14D, PHE71C, PHE71D, PHE76C, PHE76D, PRO75C, PRO75D, PRO97C, PRO97D, SER119C, SER119D, SER132C, SER133C, SER20C, SER20D, SER74C, SER74D, SER81D, THR10C, THR10D, THR111C, THR111D, THR112C, THR112D, THR92C, THR92D, TYR86D, VAL100C, VAL100D, VAL128C, VAL128D, VAL24C, VAL24D, VAL68C, VAL68D, VAL88C, VAL88D, VAL90C, VAL90D
• C-E: ASN117E, ASN38C, ASN42C, ASP110E, ASP41C, GLU113E, GLU116E, GLU49C, GLY40C, ILE43C, LEU114E, LEU39C, LYS120E, LYS52C, THR112E, TYR109E, VAL45C
• E-F: ALA22E, ALA22F, ALA79E, ALA79F, ASN117E, ASN117F, ASN38E, ASN38F, ASN95E, ASN95F, ASP124E, ASP124F, ASP13E, ASP13F, ASP41E, ASP41F, ASP69E, ASP69F, ASP87E, ASP87F, GLU101E, GLU101F, GLU113E, GLU113F, GLU116E, GLU116F, GLU130E, GLU130F, GLU23E, GLU23F, GLU85F, GLY122E, GLY122F, GLY125E, GLY125F, GLY12E, GLY12F, GLY15E, GLY15F, GLY17E, GLY17F, GLY21E, GLY21F, GLY27E, GLY27F, GLY36E, GLY36F, GLY40E, GLY40F, GLY72E, GLY72F, GLY73E, GLY73F, GLY93E, GLY93F, HIS11E, HIS11F, ILE118E, ILE118F, ILE121E, ILE121F, ILE126E, ILE126F, ILE129E, ILE129F, ILE25E, ILE25F, ILE26E, ILE26F, ILE43E, ILE65E, ILE65F, ILE66E, ILE66F, ILE91E, ILE91F, ILE94E, ILE94F, LEU114E, LEU114F, LEU115E, LEU115F, LEU134E, LEU137E, LEU18E, LEU18F, LEU19E, LEU19F, LEU37E, LEU37F, LEU39E, LEU39F, LEU70E, LEU70F, LEU80E, LEU80F, LEU99E, LEU99F, LYS120E, LYS120F, LYS123E, LYS123F, LYS127E, LYS127F, LYS131E, LYS131F, LYS16E, LYS16F, LYS28E, LYS28F, LYS84E, LYS84F, LYS89E, LYS89F, MET82F, MET83E, MET83F, MET96E, MET96F, MET98E, MET98F, PHE14E, PHE14F, PHE71E, PHE71F, PHE76E, PHE76F, PRO75E, PRO75F, PRO97E, PRO97F, SER119E, SER119F, SER132E, SER133E, SER20E, SER20F, SER74E, SER74F, SER81F, THR10E, THR10F, THR111E, THR111F, THR112E, THR112F, THR92E, THR92F, TYR86E, TYR86F, VAL100E, VAL100F, VAL128E, VAL128F, VAL24E, VAL24F, VAL68E, VAL68F, VAL88E, VAL88F, VAL90E, VAL90F