2HTM

crystal structure of ttha0676 from thermus thermophilus hb8

• Total interactions analyzed: 28
• Total true interactions: 10
• Strongest Interaction:
  • Chains: A-E
  • Int. Res.: 94
  • Norm. En. per Res.: -4.2944
• Hub Node: A(4)

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	-52.1313	-33.4906	-345.521	-431.143	120	17	24	14013	2	32	32
A-C	0.0	0.0	-0.0073	-0.0073	2	0	0	6	0	0	0
A-D	-14.3709	-68.649	-200.098	-283.1179	99	17	13	10626	7	25	23
A-E	-78.9225	-63.8163	-260.931	-403.6698	94	27	19	10810	4	17	12
B-C	-12.6273	-64.9891	-222.556	-300.1724	108	11	13	11308	7	23	24
B-D	0.0	0.0	-0.0008	-0.0008	2	0	0	2	0	0	0
B-F	-45.1579	-71.4538	-241.538	-358.1497	88	13	19	10235	4	17	9
C-D	-54.6879	-27.461	-355.13	-437.2789	124	25	24	14045	4	29	32
C-G	-49.6485	-49.4358	-246.687	-345.7713	94	14	20	11003	1	20	10
D-H	-66.0826	-40.6666	-247.407	-354.1562	90	20	19	10186	2	14	13

Interface residues

• A-B: ALA193A, ALA193B, ALA194A, ALA194B, ALA209A, ALA209B, ALA211A, ALA211B, ALA213A, ALA213B, ALA218A, ALA218B, ALA220A, ALA220B, ALA222A, ALA222B, ALA226A, ALA226B, ALA229A, ALA229B, ALA233A, ALA233B, ALA236A, ALA236B, ARG163A, ARG163B, ARG165A, ARG165B, ARG224A, ARG224B, ARG231A, ARG231B, ARG240A, ARG240B, ASN207A, ASN207B, ASP215A, ASP215B, GLN214A, GLN214B, GLU195A, GLU195B, GLU198A, GLU198B, GLU212A, GLU212B, GLU221A, GLU221B, GLU228A, GLU228B, GLY157A, GLY157B, GLY159A, GLY159B, GLY161A, GLY161B, GLY186A, GLY186B, GLY188A, GLY188B, GLY230A, GLY230B, GLY237A, GLY237B, HIS192A, HIS192B, ILE156A, ILE156B, ILE210A, ILE210B, LEU187A, LEU187B, LEU189A, LEU189B, LEU199A, LEU199B, LEU225A, LEU225B, LEU235A, LEU235B, LYS21A, LYS21B, LYS232A, LYS232B, MET197A, MET197B, MET219A, MET219B, MET239A, MET239B, PHE223A, PHE223B, PRO155A, PRO190A, PRO190B, PRO216A, PRO216B, PRO217A, PRO217B, PRO238A, PRO238B, PRO241A, PRO241B, SER158A, SER158B, SER191A, SER191B, THR208A, THR208B, TRP160A, TRP160B, TYR234A, TYR234B, VAL162A, VAL162B, VAL196A, VAL196B, VAL206A, VAL227A, VAL227B
• A-C: ARG163A, ARG163C
• A-D: ALA138A, ALA138D, ALA153A, ALA153D, ALA154A, ALA154D, ALA166A, ALA166D, ALA172A, ALA172D, ALA76A, ALA76D, ARG140A, ARG140D, ARG163A, ARG163D, ARG165A, ARG165D, ARG173A, ARG173D, ARG74A, ARG74D, ASP102A, ASP102D, ASP109A, ASP109D, ASP134A, ASP134D, GLU112A, GLU112D, GLU169A, GLU169D, GLU174A, GLU174D, GLY132A, GLY132D, ILE100A, ILE100D, ILE156A, LEU106A, LEU106D, LEU107A, LEU107D, LEU111A, LEU111D, LEU114A, LEU114D, LEU135A, LEU135D, LEU137A, LEU137D, LEU144A, LEU144D, LEU152A, LEU152D, LEU167A, LEU167D, LEU168A, LEU170A, LEU170D, LYS115A, LYS115D, LYS139A, LYS139D, LYS175A, MET131A, MET131D, PHE171A, PHE171D, PRO101A, PRO101D, PRO108A, PRO108D, PRO110A, PRO110D, PRO133A, PRO133D, PRO155A, PRO155D, SER158A, THR104A, THR104D, THR113A, THR113D, THR164A, THR164D, THR75A, THR75D, TRP160A, TRP160D, TYR105A, TYR105D, TYR130A, VAL136A, VAL136D, VAL162A, VAL162D, VAL99A, VAL99D
• A-E: ALA185A, ALA211A, ALA31E, ALA38E, ALA59E, ALA71A, ARG119A, ARG45A, ARG46A, ARG81A, ARG84A, ARG87A, ASN207A, ASN35E, ASN5E, ASN69A, ASP184A, ASP24A, GLN62E, GLU23A, GLU26E, GLU36E, GLU37E, GLU43E, GLU48A, GLU56E, GLU59A, GLU77A, GLU78A, GLU7E, GLU92A, GLU98A, GLY18A, GLY20A, GLY24E, GLY29E, GLY41E, GLY56A, GLY63E, GLY64E, GLY6E, GLY86A, GLY91A, ILE156A, ILE16A, LEU17A, LEU205A, LEU20E, LEU27E, LEU33E, LEU34E, LEU40E, LEU42E, LEU4E, LEU57A, LEU58A, LEU60E, LEU61A, LEU66A, LEU67A, LEU82A, LEU85A, LEU88A, LEU89A, LYS21A, LYS28E, LYS96A, MET150A, MET28A, PHE25A, PHE39E, PRO68A, SER19A, SER43A, THR208A, THR41A, THR70A, THR90A, TRP3E, TYR130A, TYR22A, VAL206A, VAL25E, VAL30E, VAL32E, VAL40A, VAL42A, VAL44A, VAL47A, VAL54E, VAL55E, VAL57E, VAL58E, VAL80A
• B-C: ALA138B, ALA138C, ALA153B, ALA153C, ALA154B, ALA154C, ALA166B, ALA166C, ALA172B, ALA172C, ALA76B, ALA76C, ARG140B, ARG140C, ARG163B, ARG163C, ARG165B, ARG165C, ARG173B, ARG173C, ARG74B, ARG74C, ASP102B, ASP102C, ASP109B, ASP109C, ASP134B, ASP134C, GLU112B, GLU112C, GLU118C, GLU169B, GLU169C, GLU174B, GLU174C, GLY132B, GLY132C, GLY161B, ILE100B, ILE100C, ILE156B, LEU106B, LEU106C, LEU107B, LEU107C, LEU111B, LEU111C, LEU114B, LEU114C, LEU135B, LEU135C, LEU137B, LEU137C, LEU144B, LEU144C, LEU152B, LEU152C, LEU167B, LEU167C, LEU168B, LEU168C, LEU170B, LEU170C, LEU178B, LYS115B, LYS115C, LYS139B, LYS139C, LYS175B, LYS175C, MET131B, MET131C, PHE171B, PHE171C, PRO101B, PRO101C, PRO108B, PRO108C, PRO110B, PRO110C, PRO133B, PRO133C, PRO155B, PRO155C, SER158B, SER158C, SER177B, SER177C, THR104B, THR104C, THR113B, THR113C, THR164B, THR164C, THR75B, THR75C, TRP160B, TRP160C, TYR105B, TYR105C, TYR130B, TYR130C, VAL136B, VAL136C, VAL162B, VAL162C, VAL99B, VAL99C
• B-D: ARG163B, ARG163D
• B-F: ALA211B, ALA31F, ALA38F, ALA59F, ALA60B, ALA71B, ALA83B, ARG119B, ARG45B, ARG46B, ARG81B, ARG84B, ARG87B, ASN207B, ASN35F, ASN5F, ASN69B, ASP24B, GLN62F, GLU23B, GLU26F, GLU36F, GLU37F, GLU43F, GLU56F, GLU77B, GLU78B, GLU7F, GLU92B, GLU98B, GLY18B, GLY20B, GLY24F, GLY29F, GLY41F, GLY56B, GLY63F, GLY64F, GLY6F, GLY72B, GLY86B, GLY91B, ILE100B, ILE156B, LEU106B, LEU205B, LEU20F, LEU27F, LEU33F, LEU34F, LEU40F, LEU4F, LEU57B, LEU58B, LEU60F, LEU61B, LEU66B, LEU67B, LEU82B, LEU85B, LEU88B, LEU89B, LYS21B, LYS28F, LYS96B, MET28B, PHE25B, PHE39F, PRO68B, SER19B, SER43B, THR41B, THR70B, THR90B, TRP3F, TYR22B, VAL25F, VAL30F, VAL32F, VAL40B, VAL42B, VAL44B, VAL47B, VAL54F, VAL55F, VAL57F, VAL58F, VAL80B
• C-D: ALA193C, ALA193D, ALA194C, ALA194D, ALA209C, ALA209D, ALA211C, ALA211D, ALA213C, ALA213D, ALA218C, ALA218D, ALA220C, ALA220D, ALA222C, ALA222D, ALA226C, ALA226D, ALA229C, ALA229D, ALA233C, ALA233D, ALA236C, ALA236D, ALA34C, ALA34D, ARG163C, ARG163D, ARG165C, ARG165D, ARG224C, ARG224D, ARG231C, ARG231D, ARG240C, ARG240D, ASN207C, ASN207D, ASP215C, ASP215D, GLN214C, GLN214D, GLU195C, GLU195D, GLU198C, GLU198D, GLU212C, GLU212D, GLU221C, GLU221D, GLU228C, GLU228D, GLY157C, GLY157D, GLY159C, GLY159D, GLY161C, GLY161D, GLY186C, GLY186D, GLY188C, GLY188D, GLY230C, GLY230D, GLY237C, GLY237D, HIS192C, HIS192D, ILE156C, ILE156D, ILE210C, ILE210D, LEU187C, LEU187D, LEU189C, LEU189D, LEU199C, LEU199D, LEU225C, LEU225D, LEU235C, LEU235D, LYS21C, LYS21D, LYS232C, LYS232D, MET197C, MET197D, MET219C, MET219D, MET239C, MET239D, PHE223C, PHE223D, PRO155C, PRO155D, PRO190C, PRO190D, PRO216C, PRO216D, PRO217C, PRO217D, PRO238C, PRO238D, PRO241C, PRO241D, SER158C, SER158D, SER191C, SER191D, THR208C, THR208D, TRP160C, TRP160D, TYR234C, TYR234D, VAL162C, VAL162D, VAL196C, VAL196D, VAL206C, VAL206D, VAL227C, VAL227D
• C-G: ALA211C, ALA31G, ALA38G, ALA51C, ALA59G, ALA60C, ALA71C, ARG45C, ARG46C, ARG81C, ARG84C, ARG87C, ARG9G, ASN207C, ASN5G, ASN69C, ASP24C, GLN62G, GLU22G, GLU23C, GLU26G, GLU36G, GLU37G, GLU43G, GLU48C, GLU56G, GLU77C, GLU78C, GLU7G, GLU92C, GLU98C, GLY157C, GLY18C, GLY20C, GLY24G, GLY29G, GLY41G, GLY53C, GLY63G, GLY64G, GLY6G, GLY86C, GLY91C, HIS54C, ILE156C, LEU106C, LEU11G, LEU205C, LEU20G, LEU27G, LEU33G, LEU34G, LEU40G, LEU49C, LEU4G, LEU57C, LEU58C, LEU60G, LEU61C, LEU66C, LEU67C, LEU82C, LEU85C, LEU88C, LEU89C, LYS21C, LYS28G, LYS50C, LYS96C, MET28C, PHE25C, PHE39G, PRO52C, PRO68C, SER19C, SER43C, THR208C, THR41C, THR90C, TRP3G, TYR22C, VAL19G, VAL25G, VAL30G, VAL32G, VAL40C, VAL42C, VAL44C, VAL47C, VAL54G, VAL55C, VAL55G, VAL57G, VAL58G
• D-H: ALA185D, ALA211D, ALA31H, ALA38H, ALA59H, ALA71D, ARG45D, ARG46D, ARG81D, ARG84D, ARG87D, ASN207D, ASN5H, ASN69D, ASP184D, ASP24D, GLN62H, GLU23D, GLU26H, GLU36H, GLU37H, GLU43H, GLU48D, GLU56H, GLU77D, GLU78D, GLU7H, GLU92D, GLU98D, GLY18D, GLY20D, GLY24H, GLY29H, GLY41H, GLY63H, GLY64H, GLY6H, GLY86D, GLY91D, ILE100D, ILE156D, ILE16D, LEU106D, LEU17D, LEU205D, LEU20H, LEU27H, LEU33H, LEU34H, LEU40H, LEU4H, LEU57D, LEU58D, LEU60H, LEU61D, LEU66D, LEU67D, LEU82D, LEU85D, LEU88D, LEU89D, LYS21D, LYS28H, LYS96D, MET150D, MET28D, PHE25D, PHE39H, PRO68D, SER19D, SER43D, THR208D, THR41D, THR70D, THR90D, TRP3H, TYR130D, TYR22D, VAL206D, VAL25H, VAL30H, VAL32H, VAL40D, VAL42D, VAL44D, VAL47D, VAL54H, VAL55H, VAL57H, VAL58H