Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTKIYDAANWSKHEDDFTQMFYNQNVKQFWLPEEIALNGDLLTWKYLGKNEQDTYMKVLAGLTLLDTEQGNTGMP-IVAEHVDGHQRKAVLNFMAMMENAVHAKSYSNIFMTLAPTETINEVFEWVKQNKYLQKKAQMIVGLYKAIQKDDEISLFKAMVASVYLESFLFYSGFYYPLYFYGQGKLMQSGEIINLILRDEAIHGVYVGLLAQEIYNKQTEEKKAELREFAIDLLNQLYENELEYTEDLYDQVGLSHDVKKFIRYNANKALMNLGFDPYFEEE--DINPIVLNGLNTKTKSHDFFSMKGNGYKKATVEPLKDDDFYFEDEKEQI 2R2F Chain:B ((8-286)) ------AINWNKIQDDKDLEVWNRLTSNFWLPEKVPLSNDIPAWQTLSAAEQQLTIRVFTGLTLLDTIQNIAGAPSLMADAITPHE-EAVLSNISFME-AVHARSYSSIFSTLCQTKEVDAAYAWSEENPPLQRKAQIILAHYVSDEP------LKKKIASVFLESFLFYSGFWLPMYFSSRGKLTNTADLIRLIIRDEAVHGYYIGYKYQIALQKLSAIEREELKLFALDLLMELYDNEIRYTEALYAETGWVNDVKAFLCYNANKALMNLGYEALFPPEMADVNPAILAAL---------------------------------------

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 B - contact count / total energy / energy per contact / energy per residue : 1253 -149895 -119.63 -543.10 target 2D structure prediction score : 0.65 Monomeric hydrophicity matching model chain B : 0.81 3D Compatibility (PKB) : -119.63 2D Compatibility (Sec. Struct. Predict.) : 0.65 1D Compatibility (Hydrophobicity) : 0.81 QMean score : 0.508

(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: