3UF1

crystal structure of vimentin (fragment 144-251) from homo sapiens, northeast structural genomics consortium target hr4796b

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 202
  • Norm. En. per Res.: -4.1688
• 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	-27.039	-134.5514	-680.51	-842.1004	202	34	45	29343	10	122	133
A-C	-13.469	-14.0822	-121.538	-149.0893	69	5	2	4805	3	35	42
A-D	-23.7719	-109.3779	-118.92	-252.0698	70	5	3	4785	5	47	38
B-C	-20.1437	-98.3496	-106.162	-224.6553	67	2	3	4334	6	35	38
B-D	-2.4739	-17.403	-21.4885	-41.3654	41	1	0	792	1	22	19
C-D	-22.9834	-129.5807	-668.389	-820.9531	204	41	45	29063	10	124	141

Interface residues

• A-B: ALA169A, ALA169B, ALA179A, ALA179B, ALA199A, ALA199B, ALA213A, ALA213B, ALA216A, ALA216B, ALA232A, ALA232B, ALA247A, ALA247B, ARG145B, ARG155A, ARG155B, ARG158A, ARG158B, ARG159A, ARG159B, ARG170A, ARG170B, ARG175A, ARG175B, ARG184A, ARG184B, ARG186A, ARG186B, ARG196A, ARG196B, ARG207A, ARG207B, ARG217A, ARG217B, ARG222A, ARG222B, ASN166A, ASN166B, ASN177A, ASN177B, ASN201A, ASN201B, ASN212A, ASN212B, ASP148A, ASP148B, ASP162A, ASP162B, ASP167A, ASP167B, ASP176A, ASP176B, ASP181A, ASP181B, ASP209A, ASP209B, ASP211A, ASP211B, ASP219A, ASP219B, GLN160A, GLN160B, GLN163A, GLN163B, GLN190A, GLN190B, GLN195A, GLN195B, GLN204A, GLN204B, GLN208A, GLN208B, GLN228A, GLN228B, GLN243A, GLN243B, GLN246A, GLN246B, GLN248A, GLN248B, GLU151A, GLU151B, GLU152B, GLU153A, GLU153B, GLU156A, GLU156B, GLU172A, GLU172B, GLU174A, GLU174B, GLU180A, GLU180B, GLU187A, GLU187B, GLU191A, GLU191B, GLU192A, GLU192B, GLU197A, GLU197B, GLU198A, GLU198B, GLU200A, GLU200B, GLU221A, GLU221B, GLU225A, GLU225B, GLU229A, GLU229B, GLU230A, GLU230B, GLU239A, GLU239B, GLU240A, GLU240B, GLU241A, GLU241B, GLU244A, GLU244B, GLY147A, GLY147B, HIS238A, HIS238B, ILE182A, ILE182B, ILE231A, ILE231B, ILE242A, ILE242B, ILE249A, ILE249B, LEU146A, LEU146B, LEU149A, LEU149B, LEU157A, LEU157B, LEU164A, LEU164B, LEU178A, LEU178B, LEU185A, LEU185B, LEU189A, LEU189B, LEU194A, LEU194B, LEU203A, LEU203B, LEU215A, LEU215B, LEU218A, LEU218B, LEU220A, LEU220B, LEU227A, LEU227B, LEU234A, LEU234B, LEU237A, LEU237B, LEU245A, LEU245B, LYS168A, LYS168B, LYS188A, LYS188B, LYS223A, LYS223B, LYS235A, LYS235B, LYS236A, LYS236B, PHE206A, PHE206B, PHE233A, PHE233B, SER205A, SER205B, SER214A, SER214B, SER226A, SER226B, THR165A, THR165B, THR202A, THR202B, TYR150A, TYR150B, VAL161A, VAL161B, VAL171A, VAL171B, VAL173A, VAL173B, VAL210A, VAL210B, VAL224A, VAL224B
• A-C: ALA232A, ALA232C, ALA247A, ARG145C, ARG186A, ARG186C, ARG207A, ARG207C, ARG222A, ARG222C, ASP148A, ASP148C, GLN160A, GLN160C, GLN204A, GLN204C, GLN243A, GLN243C, GLN248A, GLU151A, GLU151C, GLU152A, GLU152C, GLU153A, GLU153C, GLU156A, GLU156C, GLU229A, GLU229C, GLU230A, GLU230C, GLU239A, GLU239C, GLU240A, GLU240C, GLU241A, GLU241C, GLU244A, GLU244C, GLY147A, GLY147C, HIS142C, HIS238A, HIS238C, ILE242A, LEU146A, LEU146C, LEU149A, LEU149C, LEU157A, LEU157C, LEU164A, LEU164C, LEU234A, LEU234C, LEU237A, LEU237C, LEU245A, LYS235A, LYS235C, LYS236A, LYS236C, PHE233A, PHE233C, SER144C, SER226A, SER226C, TYR150A, TYR150C
• A-D: ALA169D, ALA179D, ALA213A, ALA216A, ALA232A, ARG155D, ARG158D, ARG159D, ARG170D, ARG184D, ARG196A, ARG207A, ARG222A, ASN166D, ASN177D, ASN212A, ASP162D, ASP167D, ASP176D, ASP181D, ASP211A, ASP219A, GLN163D, GLN204A, GLN208A, GLN228A, GLN248A, GLU151D, GLU172D, GLU174D, GLU180D, GLU200A, GLU221A, GLU225A, GLU229A, GLU230A, GLU241A, GLU244A, GLY147D, HIS137D, HIS139D, HIS140D, HIS142D, ILE182D, ILE231A, LEU146D, LEU164D, LEU178D, LEU203A, LEU215A, LEU218A, LEU220A, LEU227A, LEU234A, LEU237A, LEU245A, LYS168D, LYS188D, LYS223A, PHE233A, SER144D, SER214A, SER226A, THR165D, TYR150D, VAL161D, VAL171D, VAL173D, VAL210A, VAL224A
• B-C: ALA169B, ALA179B, ALA213C, ALA216C, ALA232C, ARG145B, ARG155B, ARG158B, ARG159B, ARG170B, ARG184B, ARG196C, ARG207C, ARG222C, ASN166B, ASN177B, ASN212C, ASP162B, ASP167B, ASP176B, ASP181B, ASP211C, ASP219C, GLN163B, GLN204C, GLN208C, GLN228C, GLU151B, GLU172B, GLU174B, GLU180B, GLU200C, GLU221C, GLU225C, GLU229C, GLU230C, GLU241C, GLU244C, GLY147B, HIS238B, ILE182B, ILE231C, LEU146B, LEU146C, LEU164B, LEU178B, LEU203C, LEU215C, LEU218C, LEU220C, LEU227C, LEU234C, LEU237C, LEU245C, LYS168B, LYS188B, LYS223C, PHE233C, SER214C, SER226C, THR165B, TYR150B, VAL161B, VAL171B, VAL173B, VAL210C, VAL224C
• B-D: ARG145B, ARG155B, ARG155D, ARG158B, ARG158D, ARG184B, ARG184D, GLN195B, GLN195D, GLN243B, GLN246B, GLN246D, GLU151B, GLU151D, GLU180B, GLU180D, GLU239B, GLU239D, HIS137D, HIS138D, HIS139D, HIS140D, HIS238B, HIS238D, ILE231B, ILE231D, ILE242B, ILE242D, ILE249B, LEU245B, LYS188B, LYS188D, LYS235B, LYS235D, PHE206B, PHE206D, SER141D, SER144B, SER144D, THR202B, THR202D
• C-D: ALA169C, ALA169D, ALA179C, ALA179D, ALA199C, ALA199D, ALA213C, ALA213D, ALA216C, ALA216D, ALA232C, ALA232D, ARG145C, ARG145D, ARG155C, ARG155D, ARG158C, ARG158D, ARG159C, ARG159D, ARG170C, ARG170D, ARG175C, ARG175D, ARG184C, ARG184D, ARG186C, ARG186D, ARG196C, ARG196D, ARG207C, ARG207D, ARG217C, ARG217D, ARG222C, ARG222D, ASN166C, ASN166D, ASN177C, ASN177D, ASN201C, ASN201D, ASN212C, ASN212D, ASP148C, ASP148D, ASP162C, ASP162D, ASP167C, ASP167D, ASP176C, ASP176D, ASP181C, ASP181D, ASP209C, ASP209D, ASP211C, ASP211D, ASP219C, ASP219D, GLN160C, GLN160D, GLN163C, GLN163D, GLN190C, GLN190D, GLN195C, GLN195D, GLN204C, GLN204D, GLN208C, GLN208D, GLN228C, GLN228D, GLN243C, GLN243D, GLN246C, GLN246D, GLN248D, GLU151C, GLU151D, GLU152C, GLU152D, GLU153C, GLU153D, GLU156C, GLU156D, GLU172C, GLU172D, GLU174C, GLU174D, GLU180C, GLU180D, GLU187C, GLU187D, GLU191C, GLU191D, GLU192C, GLU192D, GLU197C, GLU197D, GLU198C, GLU198D, GLU200C, GLU200D, GLU221C, GLU221D, GLU225C, GLU225D, GLU229C, GLU229D, GLU230C, GLU230D, GLU239C, GLU239D, GLU240C, GLU240D, GLU241C, GLU241D, GLU244C, GLU244D, GLY147C, GLY147D, HIS139C, HIS139D, HIS142C, HIS142D, HIS238C, HIS238D, ILE182C, ILE182D, ILE231C, ILE231D, ILE242C, ILE242D, LEU146C, LEU146D, LEU149C, LEU149D, LEU157C, LEU157D, LEU164C, LEU164D, LEU178C, LEU178D, LEU185C, LEU185D, LEU189C, LEU189D, LEU194C, LEU194D, LEU203C, LEU203D, LEU215C, LEU215D, LEU218C, LEU218D, LEU220C, LEU220D, LEU227C, LEU227D, LEU234C, LEU234D, LEU237C, LEU237D, LEU245C, LEU245D, LYS168C, LYS168D, LYS188C, LYS188D, LYS223C, LYS223D, LYS235C, LYS235D, LYS236D, PHE206C, PHE206D, PHE233C, PHE233D, SER144C, SER144D, SER205C, SER205D, SER214C, SER214D, SER226C, SER226D, THR165C, THR165D, THR202C, THR202D, TYR150C, TYR150D, VAL161C, VAL161D, VAL171C, VAL171D, VAL173C, VAL173D, VAL210C, VAL210D, VAL224C, VAL224D