Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTKIYDAANWSKHEDDFTQMFYNQNVKQFWLPEEIALNGDLLTWKYLGKNEQDTYMKVLAGLTLLDTEQGNTGMP-IVAEHVDGHQRKAVLNFMAMMENAVHAKSYSNIFMTLAPTETINEVFEWVKQNKYLQKKAQMIVGLYKAIQKDDEISLFKAMVASVYLESFLFYSGFYYPLYFYGQGKLMQSGEIINLILRDEAIHGVYVGLLAQEIYNKQTEEKKAELREFAIDLLNQLYENELEYTEDLYDQVGLSHDVKKFIRYNANKALMNLGFDPYFEEE--DINPIVLNGLNTKTKSHDFFSMKGNGYKKATVEPLKDDDFYFEDEKEQI 2R2F Chain:A ((8-289)) ------AINWNKIQDDKDLEVWNRLTSNFWLPEKVPLSNDIPAWQTLSAAEQQLTIRVFTGLTLLDTIQNIAGAPSLMADAITPHE-EAVLSNISFME-AVHARSYSSIFSTLCQTKEVDAAYAWSEENPPLQRKAQIILAHYVSDEP------LKKKIASVFLESFLFYSGFWLPMYFSSRGKLTNTADLIRLIIRDEAVHGYYIGYKYQIALQKLSAIEREELKLFALDLLMELYDNEIRYTEALYAETGWVNDVKAFLCYNANKALMNLGYEALFPPEMADVNPAILAALSPN------------------------------------

General information: TITO was launched using: RESULT: Template: 2R2F.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 : 1330 -145288 -109.24 -520.74 target 2D structure prediction score : 0.65 Monomeric hydrophicity matching model chain A : 0.81 3D Compatibility (PKB) : -109.24 2D Compatibility (Sec. Struct. Predict.) : 0.65 1D Compatibility (Hydrophobicity) : 0.81 QMean score : 0.547

(partial model without unconserved sides chains): PDB file : Tito_2R2F.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2R2F-query.scw PDB file : Tito_Scwrl_2R2F.pdb: