1VDH

structure-based functional identification of a novel heme- binding protein from thermus thermophilus hb8

• Total interactions analyzed: 10
• Total true interactions: 5
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 175
  • Norm. En. per Res.: -4.3639
• Hub Node: A(2)

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	-96.3021	-142.494	-524.892	-763.6882	175	18	15	20190	11	62	65
A-E	-65.1997	-68.2022	-499.565	-632.9669	171	16	15	19346	5	61	64
B-C	-94.4652	-91.4026	-508.964	-694.8318	164	14	14	19321	9	62	63
C-D	-86.1323	-76.0328	-507.807	-669.9722	171	19	13	19649	6	62	64
D-E	-70.2809	-87.7169	-494.635	-652.6329	169	21	14	19315	6	61	67

Interface residues

• A-B: ALA162B, ALA166A, ALA171A, ALA190B, ALA224A, ALA245A, ALA27A, ALA32A, ALA72A, ALA91B, ALA97B, ALA99B, ARG100B, ARG104B, ARG150A, ARG150B, ARG151A, ARG151B, ARG165A, ARG165B, ARG218A, ARG225A, ARG22B, ARG28A, ARG28B, ARG37A, ARG3B, ARG92B, ARG95B, ASN148B, ASN156B, ASP155A, ASP155B, ASP194B, ASP195B, ASP206A, ASP20B, ASP220A, ASP25A, ASP73A, ASP84B, CYS143A, GLN117B, GLN152A, GLN152B, GLN154A, GLN154B, GLN191B, GLN209A, GLN66A, GLU113B, GLU13B, GLU164A, GLU174A, GLU197B, GLU216A, GLU221A, GLU228A, GLU228B, GLU7B, GLU88B, GLU90B, GLY103B, GLY115B, GLY140A, GLY14B, GLY153A, GLY153B, GLY189B, GLY192B, GLY199B, GLY227A, GLY230A, GLY235A, GLY248A, GLY69A, GLY82B, HIS10B, HIS16B, HIS172A, HIS19B, HIS4B, HIS70A, ILE187B, ILE213A, LEU102B, LEU114B, LEU12B, LEU160A, LEU160B, LEU168A, LEU18B, LEU193B, LEU202A, LEU238A, LEU23A, LEU247A, LEU249A, LEU24A, LEU83B, LEU86B, LEU87B, LEU93B, LYS149B, LYS163A, LYS170A, LYS178A, LYS211A, LYS212A, LYS236A, LYS71A, MET147A, MET159B, MET169A, MET169B, MET217A, PHE108B, PHE144A, PHE210A, PHE219A, PHE21B, PHE229A, PHE232A, PHE233A, PHE246A, PHE26A, PHE30A, PRO146A, PRO161B, PRO207A, PRO231A, PRO6B, PRO81B, PRO85B, PRO8B, SER105B, SER107B, SER110B, SER116B, SER167A, SER188B, SER223A, SER31A, SER94B, SER96B, THR11B, THR175A, THR9B, TRP157A, TRP157B, TRP196B, TRP198B, TRP29A, TYR101B, TYR106B, TYR109B, TYR141A, TYR145A, TYR158B, TYR179A, TYR215A, TYR226A, TYR237A, TYR65A, VAL111B, VAL112B, VAL142A, VAL17B, VAL208A, VAL214A, VAL222A, VAL234A, VAL5B, VAL67A, VAL68A
• A-E: ALA162A, ALA171E, ALA190A, ALA224E, ALA245E, ALA27E, ALA32E, ALA72E, ALA91A, ALA97A, ALA99A, ARG100A, ARG104A, ARG150A, ARG150E, ARG151A, ARG165A, ARG218E, ARG225E, ARG22A, ARG244E, ARG28A, ARG28E, ARG37E, ARG3A, ARG3A5, ARG92A, ARG95A, ASN148A, ASN156A, ASP155A, ASP155E, ASP194A, ASP195A, ASP206E, ASP20A, ASP220E, ASP25E, ASP73E, ASP84A, CB8.81751-4.60239, CYS143E, GLN117A, GLN152A, GLN152E, GLN154A, GLN154E, GLN191A, GLN209E, GLN66E, GLU113A, GLU13A, GLU164E, GLU174E, GLU197A, GLU216E, GLU221E, GLU228A, GLU228E, GLU7A, GLU88A, GLU90A, GLY103A, GLY115A, GLY140E, GLY14A, GLY153A, GLY153E, GLY189A, GLY192A, GLY199A, GLY227E, GLY230E, GLY235E, GLY248E, GLY69E, GLY82A, HIS10A, HIS16A, HIS172E, HIS19A, HIS4A, HIS70E, ILE187A, ILE213E, LEU102A, LEU114A, LEU12A, LEU160A, LEU168E, LEU18A, LEU193A, LEU202E, LEU238E, LEU23E, LEU243E, LEU247E, LEU249E, LEU24E, LEU83A, LEU86A, LEU87A, LEU93A, LYS149A, LYS170E, LYS178E, LYS211E, LYS212E, LYS236E, LYS71E, MET147E, MET159A, MET217E, PHE108A, PHE144E, PHE210E, PHE219E, PHE21A, PHE229E, PHE232E, PHE233E, PHE246E, PHE26E, PHE30E, PRO146E, PRO161A, PRO207E, PRO231E, PRO6A, PRO81A, PRO85A, PRO8A, SER105A, SER107A, SER110A, SER116A, SER167E, SER188A, SER223E, SER31E, SER94A, SER96A, THR11A, THR175E, THR9A, TRP157A, TRP196A, TRP198A, TRP29E, TYR101A, TYR106A, TYR109A, TYR141E, TYR145E, TYR158A, TYR179E, TYR215E, TYR226E, TYR237E, TYR65E, VAL111A, VAL112A, VAL142E, VAL17A, VAL208E, VAL214E, VAL222E, VAL234E, VAL5A, VAL67E, VAL68E
• B-C: ALA162C, ALA171B, ALA190C, ALA224B, ALA245B, ALA27B, ALA72B, ALA91C, ALA97C, ALA99C, ARG100C, ARG104C, ARG150B, ARG150C, ARG151C, ARG165C, ARG218B, ARG225B, ARG22C, ARG244B, ARG28B, ARG37B, ARG3C, ARG92C, ARG95C, ASN148C, ASN156C, ASP155B, ASP155C, ASP194C, ASP195C, ASP206B, ASP20C, ASP220B, ASP25B, ASP73B, ASP84C, CYS143B, GLN117C, GLN152B, GLN152C, GLN154B, GLN154C, GLN191C, GLN209B, GLN66B, GLU113C, GLU13C, GLU164B, GLU197C, GLU216B, GLU221B, GLU228B, GLU228C, GLU7C, GLU88C, GLU90C, GLY103C, GLY115C, GLY140B, GLY14C, GLY153B, GLY153C, GLY189C, GLY192C, GLY199C, GLY227B, GLY230B, GLY235B, GLY248B, GLY69B, GLY82C, HIS10C, HIS16C, HIS172B, HIS19C, HIS4C, HIS70B, ILE187C, ILE213B, LEU102C, LEU114C, LEU12C, LEU160C, LEU168B, LEU18C, LEU193C, LEU202B, LEU238B, LEU23B, LEU247B, LEU249B, LEU24B, LEU83C, LEU86C, LEU87C, LEU93C, LYS149C, LYS178B, LYS211B, LYS212B, LYS236B, LYS71B, MET147B, MET159C, MET217B, PHE108C, PHE144B, PHE210B, PHE219B, PHE21C, PHE229B, PHE232B, PHE233B, PHE246B, PHE26B, PHE30B, PRO146B, PRO161C, PRO207B, PRO231B, PRO6C, PRO81C, PRO85C, PRO8C, SER105C, SER107C, SER110C, SER116C, SER167B, SER188C, SER223B, SER31B, SER94C, SER96C, THR11C, THR175B, THR9C, TRP157C, TRP196C, TRP198C, TRP29B, TYR101C, TYR106C, TYR109C, TYR141B, TYR145B, TYR158C, TYR179B, TYR215B, TYR226B, TYR237B, TYR65B, VAL111C, VAL112C, VAL142B, VAL17C, VAL208B, VAL214B, VAL222B, VAL234B, VAL5C, VAL67B, VAL68B
• C-D: ALA162D, ALA171C, ALA190D, ALA224C, ALA242C, ALA245C, ALA27C, ALA32C, ALA72C, ALA91D, ALA97D, ALA99D, ARG100D, ARG104D, ARG150C, ARG150D, ARG151D, ARG165D, ARG218C, ARG225C, ARG22D, ARG244C, ARG28C, ARG28D, ARG37C, ARG3D, ARG92D, ARG95D, ASN148D, ASN156D, ASP155C, ASP155D, ASP194D, ASP195D, ASP206C, ASP20D, ASP220C, ASP25C, ASP73C, ASP84D, CYS143C, GLN117D, GLN152C, GLN152D, GLN154C, GLN154D, GLN191D, GLN209C, GLN66C, GLU113D, GLU13D, GLU164C, GLU174C, GLU197D, GLU216C, GLU221C, GLU228C, GLU228D, GLU7D, GLU88D, GLU90D, GLY103D, GLY115D, GLY140C, GLY14D, GLY153C, GLY153D, GLY189D, GLY192D, GLY199D, GLY227C, GLY230C, GLY235C, GLY248C, GLY69C, GLY82D, HIS10D, HIS16D, HIS172C, HIS19D, HIS4D, HIS70C, ILE187D, ILE213C, LEU102D, LEU114D, LEU12D, LEU160D, LEU168C, LEU18D, LEU193D, LEU202C, LEU238C, LEU23C, LEU243C, LEU247C, LEU249C, LEU24C, LEU83D, LEU86D, LEU87D, LEU93D, LYS149D, LYS170C, LYS178C, LYS211C, LYS212C, LYS236C, LYS71C, MET147C, MET159D, MET217C, PHE108D, PHE144C, PHE210C, PHE219C, PHE21D, PHE229C, PHE232C, PHE233C, PHE246C, PHE26C, PHE30C, PHE98D, PRO146C, PRO161D, PRO207C, PRO231C, PRO6D, PRO81D, PRO85D, PRO8D, SER105D, SER107D, SER110D, SER116D, SER167C, SER188D, SER223C, SER31C, SER94D, SER96D, THR11D, THR175C, THR9D, TRP157D, TRP196D, TRP198D, TRP29C, TYR101D, TYR106D, TYR109D, TYR141C, TYR145C, TYR158D, TYR179C, TYR215C, TYR226C, TYR237C, TYR65C, VAL111D, VAL112D, VAL142C, VAL17D, VAL208C, VAL214C, VAL222C, VAL234C, VAL5D, VAL67C, VAL68C
• D-E: ALA162E, ALA171D, ALA190E, ALA224D, ALA245D, ALA27D, ALA32D, ALA72D, ALA89E, ALA91E, ALA97E, ALA99E, ARG100E, ARG104E, ARG150D, ARG150E, ARG151E, ARG165E, ARG218D, ARG225D, ARG22E, ARG28D, ARG28E, ARG37D, ARG3E, ARG92E, ARG95E, ASN148E, ASN156E, ASP155D, ASP155E, ASP194E, ASP195E, ASP206D, ASP20E, ASP220D, ASP25D, ASP73D, ASP84E, CYS143D, GLN117E, GLN152D, GLN152E, GLN154D, GLN154E, GLN191E, GLN209D, GLN66D, GLU113E, GLU13E, GLU164D, GLU174D, GLU197E, GLU216D, GLU221D, GLU228D, GLU228E, GLU7E, GLU88E, GLU90E, GLY103E, GLY115E, GLY140D, GLY14E, GLY153D, GLY153E, GLY189E, GLY192E, GLY199E, GLY227D, GLY230D, GLY235D, GLY248D, GLY69D, GLY82E, HIS10E, HIS16E, HIS172D, HIS19E, HIS4E, HIS70D, ILE187E, ILE213D, LEU102E, LEU114E, LEU12E, LEU160E, LEU168D, LEU18E, LEU193E, LEU202D, LEU238D, LEU23D, LEU247D, LEU249D, LEU24D, LEU83E, LEU86E, LEU87E, LEU93E, LYS149E, LYS163D, LYS178D, LYS211D, LYS212D, LYS236D, LYS71D, MET147D, MET159E, MET217D, PHE108E, PHE144D, PHE210D, PHE219D, PHE21E, PHE229D, PHE232D, PHE233D, PHE246D, PHE26D, PHE30D, PHE98E, PRO146D, PRO161E, PRO207D, PRO231D, PRO6E, PRO81E, PRO85E, PRO8E, SER105E, SER107E, SER110E, SER116E, SER167D, SER188E, SER223D, SER31D, SER94E, SER96E, THR11E, THR175D, THR9E, TRP157E, TRP196E, TRP198E, TRP29D, TYR101E, TYR106E, TYR109E, TYR141D, TYR145D, TYR158E, TYR179D, TYR215D, TYR226D, TYR237D, TYR65D, VAL111E, VAL112E, VAL142D, VAL17E, VAL208D, VAL214D, VAL222D, VAL234D, VAL5E, VAL67D, VAL68D