Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MLTYDNWEEPTITFPEDDPYKGALSVLKWAYGHYGDQLVYACSFGIEGIVLIDLIYKVKKDAEIVFLDTGLHFKETYETIERVKERYPGLNIILKKPDLTLEEQAEEHGDKLWEREP---NQCCYLRKVVPLREALSGHPA--WLSGLRRDQGPSRANTNFLNKDEKFKSVKVCPLIHWTWKDIWRYTSRNELDYNPLHDQGYPSIGCAPCTSPAFTAEDLRSGRWNGMAKTECGLHE 1SUR Chain:A ((36-212)) --------------------------VAWALDNLPGEYVLSSSFGIQAAVSLHLVNQIRPDIPVILTDTGYLFPETYRFIDELTDKLK-LNLKVYRATESAAWQEARYG-KLWEQGVEGIEKYNDINKVEPMNRALKELNAQTWFAGLRREQSGSRANLPVLAIQRGV--FKVLPIIDWDNRTIYQYLQKHGLKYHPLWDEGYLSVG-------------------------------

General information: TITO was launched using: RESULT: Template: 1SUR.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 : 755 -95681 -126.73 -556.28 target 2D structure prediction score : 0.69 Monomeric hydrophicity matching model chain A : 0.74 3D Compatibility (PKB) : -126.73 2D Compatibility (Sec. Struct. Predict.) : 0.69 1D Compatibility (Hydrophobicity) : 0.74 QMean score : 0.529

(partial model without unconserved sides chains): PDB file : Tito_1SUR.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1SUR-query.scw PDB file : Tito_Scwrl_1SUR.pdb: