Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence ----------------P--WEWVTWKDFCRLTLKKGDEIQSQSKWVAKPGPIGIL----IQPGVYESFKTDKDCNP----KIRRGKLPDGYTLH------GQVF---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- 1YF2 Chain:A ((1-425)) MFYKEENFKKTEIGEIPEDWEIVELKDVCKK-IKAGGTPKTSVEEYYKNGTIPFVKIEDITNSNKYLTNTKIKITEEGLNNSNAWIVPKNSVLFAMYGSIGETAINKIEVATNQAILGIIPKDNILESEFLYYILAKNKNYYSKLGMQTTQKNLNAQIVKSFKIPLPPLEEQKQIAKILTKIDEGIEIIEKSINKLERIKKGLMHKLLTKGIGHSRFKKSEIGEIPEDWEVFEIKDIFEVKTGTTPSTKKSEYWENGEINWITPLDLSRLNEKIYIGSSERKVTKIALEKCNLNLIPKGSIIISTRAPVGYVAVLTVESTFNQGCKGLFQKNNDSVNTEFYAYYLKFKKNLLENLSGGSTFKELSKSMLENFKIPLPPLEEQKQIAKILSSVDKSIELKKQKKEKLQRMKKKIMELLLTGKVRVKT

General information: TITO was launched using: RESULT: Template: 1YF2.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 : 103 10288 99.88 144.90 target 2D structure prediction score : 0.54 Monomeric hydrophicity matching model chain A : 0.56 3D Compatibility (PKB) : 99.88 2D Compatibility (Sec. Struct. Predict.) : 0.54 1D Compatibility (Hydrophobicity) : 0.56 QMean score : 0.355

(partial model without unconserved sides chains): PDB file : Tito_1YF2.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1yf2-query.scw PDB file : Tito_Scwrl_1YF2.pdb: