1ZKM

structural analysis of escherichia coli thif

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 214
  • Norm. En. per Res.: -3.9464
• 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	-106.5085	-4.3624	-733.666	-844.5369	214	44	19	32352	3	35	31
A-C	-3.4301	5.5648	-19.5516	-17.4169	19	3	0	762	0	4	5
A-D	-49.4458	-35.456	-125.801	-210.7028	69	15	8	5947	4	17	18
B-C	-18.2938	-45.8743	-91.397	-155.5651	66	27	7	5354	4	16	18
B-D	0.0	0.0	-0.0082	-0.0082	2	0	0	1	0	0	4
C-D	-80.7618	-6.7104	-723.589	-811.0612	217	44	15	32953	2	33	31

Interface residues

• A-B: ALA187A, ALA187B, ALA19A, ALA19B, ALA202A, ALA202B, ALA205A, ALA205B, ALA216A, ALA216B, ALA43A, ALA43B, ALA44A, ALA44B, ALA48A, ALA48B, ALA50A, ALA50B, ARG11A, ARG11B, ARG185A, ARG220A, ARG220B, ARG230A, ARG230B, ARG4A, ARG4B, ARG70A, ARG70B, ARG8A, ARG8B, ARG90A, ARG90B, ASN2B, ASN67A, ASN67B, ASN95A, ASN95B, ASP16A, ASP16B, ASP17A, ASP17B, ASP223A, ASP223B, ASP3A, ASP3B, ASP5A, ASP5B, ASP78A, ASP78B, ASP97A, ASP97B, CYS184A, GLN12A, GLN12B, GLN201A, GLN201B, GLN228A, GLN228B, GLN23A, GLN23B, GLN69A, GLN69B, GLN71A, GLN71B, GLN89A, GLN89B, GLN93A, GLN93B, GLU204A, GLU204B, GLU213A, GLU213B, GLU218A, GLU218B, GLU77A, GLU77B, GLY153A, GLY153B, GLY155A, GLY155B, GLY188A, GLY188B, GLY191A, GLY191B, GLY195A, GLY195B, GLY198A, GLY198B, GLY224A, GLY224B, GLY37A, GLY37B, GLY38A, GLY38B, GLY49A, GLY49B, GLY51A, GLY51B, HIS64A, HIS64B, ILE13A, ILE13B, ILE18A, ILE18B, ILE206A, ILE206B, ILE212A, ILE212B, ILE72A, ILE72B, ILE79A, ILE79B, LEU14A, LEU14B, LEU158A, LEU158B, LEU15A, LEU15B, LEU200A, LEU200B, LEU203A, LEU203B, LEU26A, LEU26B, LEU39A, LEU39B, LEU45A, LEU45B, LEU47A, LEU47B, LEU65A, LEU65B, LEU68A, LEU68B, LEU73A, LEU73B, LEU91A, LEU91B, LEU94A, LEU94B, LYS207A, LYS207B, LYS225A, LYS225B, MET197A, MET197B, MET7A, MET7B, PHE154A, PHE154B, PHE222A, PHE222B, PHE6A, PHE6B, PHE74A, PHE74B, PRO192A, PRO192B, PRO215A, PRO215B, PRO42A, PRO42B, PRO96A, PRO96B, SER10A, SER10B, SER210A, SER210B, SER226A, SER226B, SER227A, SER227B, SER231A, SER231B, SER66A, SER66B, SER87A, SER87B, THR186A, THR199A, THR199B, THR214A, THR214B, THR41A, THR41B, THR75A, THR75B, THR76A, THR76B, THR92A, THR92B, TRP229A, TRP229B, TYR46A, TYR46B, TYR9A, TYR9B, VAL152A, VAL152B, VAL160A, VAL160B, VAL189A, VAL189B, VAL190A, VAL190B, VAL193A, VAL193B, VAL194A, VAL194B, VAL196A, VAL196B, VAL86A, VAL86B
• A-C: ARG230A, ARG230C, ASP223A, ASP223C, GLN228A, GLN228C, LEU221A, LEU221C, LEU232A, LEU232C, LYS225A, LYS225C, SER226A, SER226C, SER227A, SER227C, SER231A, TRP229A, TRP229C
• A-D: ALA216D, ALA233A, ALA233D, ALA237A, ALA237D, ARG171A, ARG182A, ARG185A, ARG220D, ARG230A, ARG230D, ARG235A, ARG235D, ARG236A, ARG236D, ASN177A, ASN183A, ASP176A, CYS169A, CYS172A, CYS172D, CYS240A, GLN157D, GLN167A, GLN167D, GLN178A, GLU166D, GLU179A, GLU181A, GLU213D, GLU218A, GLU218D, GLY168A, GLY168D, GLY217A, GLY217D, GLY239A, GLY239D, LEU173A, LEU173D, LEU219A, LEU219D, LEU221A, LEU221D, LEU232A, LEU232D, LEU234A, LEU234D, LYS225A, MET159D, PRO163D, PRO164D, PRO175A, PRO175D, PRO180A, PRO215D, PRO241A, SER231A, SER231D, SER238A, SER238D, THR162D, THR214D, TRP165D, TRP174A, TRP174D, TRP229D, TYR170A, VAL242A
• B-C: ALA216B, ALA233B, ALA233C, ALA237B, ALA237C, ARG171C, ARG182C, ARG185C, ARG220B, ARG230B, ARG230C, ARG235B, ARG235C, ARG236B, ARG236C, ASN177C, ASN183C, ASP176C, ASP223C, CYS169C, CYS172B, CYS172C, CYS240C, CYS243C, GLN133C, GLN157B, GLN167B, GLN178C, GLU166B, GLU179C, GLU181C, GLU213B, GLU218B, GLU218C, GLY168B, GLY168C, GLY217B, GLY239B, GLY239C, LEU173B, LEU173C, LEU219B, LEU219C, LEU221B, LEU221C, LEU232B, LEU232C, LEU234B, LEU234C, LYS225C, MET159C, PRO164B, PRO175C, PRO180C, PRO215B, PRO241C, SER231B, SER231C, SER238B, SER238C, THR162B, TRP174B, TRP174C, TRP229B, TYR170C, VAL242C
• B-D: ASP16D, GLU213B
• C-D: ALA187C, ALA187D, ALA19C, ALA19D, ALA202C, ALA202D, ALA205C, ALA205D, ALA216C, ALA216D, ALA43C, ALA43D, ALA44C, ALA44D, ALA48C, ALA48D, ALA50C, ALA50D, ARG11C, ARG11D, ARG185C, ARG220C, ARG220D, ARG230C, ARG230D, ARG4C, ARG4D, ARG70C, ARG70D, ARG8C, ARG8D, ARG90C, ARG90D, ASN2C, ASN2D, ASN67C, ASN67D, ASN95C, ASN95D, ASP16C, ASP16D, ASP17C, ASP17D, ASP223C, ASP223D, ASP3C, ASP3D, ASP5C, ASP5D, ASP78C, ASP78D, ASP97C, ASP97D, CYS184C, GLN12C, GLN12D, GLN201C, GLN201D, GLN228C, GLN228D, GLN23C, GLN23D, GLN69C, GLN69D, GLN71C, GLN71D, GLN89C, GLN89D, GLN93C, GLN93D, GLU204C, GLU204D, GLU213C, GLU213D, GLU218C, GLU218D, GLU77C, GLU77D, GLY153C, GLY153D, GLY155C, GLY155D, GLY188C, GLY188D, GLY191C, GLY191D, GLY195C, GLY195D, GLY198C, GLY198D, GLY224C, GLY224D, GLY37C, GLY37D, GLY38C, GLY38D, GLY49C, GLY49D, GLY51C, GLY51D, HIS64C, HIS64D, ILE13C, ILE13D, ILE18C, ILE18D, ILE206C, ILE206D, ILE212C, ILE212D, ILE72C, ILE72D, ILE79C, ILE79D, LEU14C, LEU14D, LEU158C, LEU158D, LEU15C, LEU15D, LEU200C, LEU200D, LEU203C, LEU203D, LEU221C, LEU26C, LEU26D, LEU39C, LEU39D, LEU45C, LEU45D, LEU47C, LEU47D, LEU65C, LEU65D, LEU68C, LEU68D, LEU73C, LEU73D, LEU91C, LEU91D, LEU94C, LEU94D, LYS207C, LYS207D, LYS225C, LYS225D, LYS83D, MET197C, MET197D, MET7C, MET7D, PHE154C, PHE154D, PHE222C, PHE222D, PHE6C, PHE6D, PHE74C, PHE74D, PRO192C, PRO192D, PRO215C, PRO215D, PRO42C, PRO42D, PRO96C, PRO96D, SER10C, SER10D, SER210C, SER210D, SER226C, SER226D, SER227C, SER227D, SER231C, SER231D, SER66C, SER66D, SER87C, THR186C, THR199C, THR199D, THR214C, THR214D, THR41C, THR41D, THR75C, THR75D, THR76C, THR76D, THR92C, THR92D, TRP229C, TRP229D, TYR46C, TYR46D, TYR9C, TYR9D, VAL152C, VAL152D, VAL160C, VAL160D, VAL189C, VAL189D, VAL190C, VAL190D, VAL193C, VAL193D, VAL194C, VAL194D, VAL196C, VAL196D, VAL63D, VAL86C, VAL86D