Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence ------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------MPGRSCVALVLLAAAVSCAVAQHAPPWTEDCRKSTYPPSGPTYRGAVPWYTINLDLPPYKRWHELMLDKAPVLKV-IVNSLKNMINTFVPSGKIMQVVDEK-LPGLLGNFPGPFEEEMKGIAAVTDIPLGEIISFNIFYELFT--ICTSIVAEDKKGHLIHGRNMDFGVFLGWNINNDTWVITEQLKPLTVNLDFQRNNKTVFKASSFAGYVGMLTGFKPGLFSLTLNERFSINGGYLGILEWILGKKDVMWIGFLTRTVLENSTSYEEAKNLLTKTKILAPAYFILGGNQSGEGCVITRDRKESLDVYELDAKQGRWYVVQTNYDRWKHPFFLDDRRTPAKMCLNRTSQENISFETMYDVLSTKPVLNKLTVYTTLIDVTKGQFETYLRDCPD----PCIGW---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- 3W3W Chain:A ((3-1077)) ALPEEVNRTLLQIVQAFASDNQIRSVAEKALSEEWITENNIEYLLTFLAEQAAFSQDTTVAALSAVLFRKLALKAPITHIRKEVLAQIRSSLLKGFLSERADSIRHKLSDAIAECVQDDLPAWPELLQALIESLKSGNPNFRESSFRILTTVPYLITAVDINSILPIFQSGFTDASDNVKIAAVTAFVGYFKQLPKSEWSKLGILLPSLLNSLPRFLDDGKDDALASVFESLIELVELAPKLFKDMFDQIIQFTDMVIKNKDLEPPARTTALELLTVFSENAPQMCKSNQNYGQTLVMVTLIMMTEVSIDDDDAAEWIESDDTDDEEEVTYDHARQALDRVALKLGGEYLAAPLFQYLQQMITSTEWRERFAAMMALSSAAEGCADVL-----------------------------IGEIPKILDMVIPLINDPHPRVQYGCCNVLGQISTDFSP--FIQRTAHDRILPALISKLTSECTSRVQTHAAAALVNFSEFASKDILEPYLDSLLTNLLVLLQSNKLYVQEQALTTIAFIAEAAKNKFIKYYDTLMPLLLNV-LKVNSVLKGKCMECATLIGFAVG----------KEKFHEHSQELISILVALQNSD-ALRSYLEQSWSRICRILG--DDFVPLLPIVIPPLLITAKATQDVGLI-EEEEAANFQQYP------DWDVVQV-----------------------QGKHIAIHTSVLDDKVS---AMELLQSYATLL---RGQFAVYVKEVMEEIALPSLDFYLHDGVRAAGATLIPILLSCLLAAEELVLLWHKASSKLIGGLMSEPMPEITQVYHNSLVNGIKVMGDNCLSEDQLAAFTKGVSANLTDTYERMQDRDEYNEDFTDEDLLDEINKSIAAVLKTTNGHYLKNLENIWPMINTFLLEPILVIFALVVIGDLIQYEQTASMKNAFIPKVTECLISPDARIRQAASYIIGVCAQYAPSTYADVCIPTLDTLVQIVDGSKLEENRSSTENASAAIAKILYAYNSNIPDTYTANWFKTLPTITDKEAASFNYQFLSQVCAQSNISAVVDSVIQALNERSLTVISSVKKLLGFLPSSDAMAIFNRYPADIMEKVHKWF

General information: TITO was launched using: RESULT: Template: 3W3W.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain A - contact count / total energy / energy per contact / energy per residue : 1357 -33973 -25.04 -108.19 target 2D structure prediction score : 0.48 Monomeric hydrophicity matching model chain A : 0.55 3D Compatibility (PKB) : -25.04 2D Compatibility (Sec. Struct. Predict.) : 0.48 1D Compatibility (Hydrophobicity) : 0.55 QMean score : 0.245

(partial model without unconserved sides chains): PDB file : Tito_3W3W.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3W3W-query.scw PDB file : Tito_Scwrl_3W3W.pdb: