Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MDDATDELATLIARGLGVLRPKRLHAGAEAVAYELDD----ARVLKVYHAGGSAERFATIASFYARLNSDRAGFAVPRILTHGVEGGRAYSVEKRLLGEPLSTRAH----------FLT-DTDLIDAYLAAALRVGRIQVEPEWNSWTMFGEQRHGDWHQHVRGQIESQSRALARMLQPAYWERLANATADVRQHFDR-P-FLGKVCLIHGDFHPGNVLVGATGRVLSLVDFGAFTTFGDAAFDVATACGYFSMYEPDQATTRRSLVARLLRMEG-SPPGALVAMYLKLAAFLTCTAYPDDRVAVQDTGHFQWAMSVLFDPMLDELVDRVPH 5IWU Chain:A ((21-298)) -----------------EETIQFNESGLDFQAVFAQDNNGIDWVLRLPRREDVMPRTKVEKQALDLVNKYAISFQAPNWIIY----TEELIAYKKLDGVPAGTIDHNIGNYIWEIDINNVPELFHKSLGRVLAELHSIPSNKAAALDLVVHT--PEEARMSMKQRMDAV----RAKFG--VG---ENLWNRWQAWLNDDDMWPKKTGLIHGDVHAGHTMIDKDANVTGLIDWTE-AKVTDVSHDFIFNYRAF---GEEGLEALILAYK-EIGGYYWPKMKEHIIELNAAYPVSIAEFALV----SGIEEYEQMAKEALE-------------

General information: TITO was launched using: RESULT: Template: 5IWU.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 : 1154 -7184 -6.22 -27.63 target 2D structure prediction score : 0.62 Monomeric hydrophicity matching model chain A : 0.61 3D Compatibility (PKB) : -6.22 2D Compatibility (Sec. Struct. Predict.) : 0.62 1D Compatibility (Hydrophobicity) : 0.61 QMean score : 0.357

(partial model without unconserved sides chains): PDB file : Tito_5IWU.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5iwu-query.scw PDB file : Tito_Scwrl_5IWU.pdb: