Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MLKILGRDNSINVRKVLWLCDELNLTYEREDWGKGFRSAQSPEFLQLNPNGQIPVILDGDLVLWQSNSIIRYLANAYDKDHILYPTQAKQRAIIDQWIDWQAIELNNSWTYAFMSLIRHSALHQDPNLLQQGIDQWNKQMQILDQQLAKTQAYVAGTEFTLADIPIGLSVQRWKATPFDHPALKHVDQYFERLNQRKGFLKWGNNGQP 4I97 Chain:A ((41-196)) -----------------------------------------PEFVKINPQHTIPTLVDNGFALWESRAILVYLVEKYGKTDSLYPKCPKKRAVINQRLYFDMGTLYQSFANYYYPQVFAKA-PADPELYK----KMEAAVEFLNTFL-EGQTYAAGDSLTIADIALLATMSSFEVAGYDFSKYENVNKWYA--NAKKVTPGWDEN---

General information: TITO was launched using: RESULT: Template: 4I97.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 : 553 -71128 -128.62 -455.95 target 2D structure prediction score : 0.56 Monomeric hydrophicity matching model chain A : 0.74 3D Compatibility (PKB) : -128.62 2D Compatibility (Sec. Struct. Predict.) : 0.56 1D Compatibility (Hydrophobicity) : 0.74 QMean score : 0.403

(partial model without unconserved sides chains): PDB file : Tito_4I97.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4I97-query.scw PDB file : Tito_Scwrl_4I97.pdb: