Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSFVPQIKIPATYMRGGTSKGVFFKLDDLPEKAQVAGQARDQLLLRVIGSPDPYGKQIDGMGGATSSTSKTVILAKSTQPDHDVDYLFGQVSIDQAFVDWSGNCGNLTAAVGSFAISNGLVDADRIPENGLCTVRIWQKNIQKTIIAHVPITNGQVQETGDFELDGVTFPAAEVQIEFLDPADDGEEGGDMFPTGNVVDQLDVPEIGSFQATFINAGIPTIFLNAEDLGYEGTELQDHINGDAAALARFEKIRAYGAVQMGLIKDISEAAARQHTPKIAFVSKPKNYTASSGKNVSENDVDLLVRALSMGKLHHAMMGTAAVAIGTAAAIPGTLVNLAAGGGEREAVRFGHPSGTLRVGAQAELTNGQWVVKKAIMSRSARVLMEGWVRIPGDSS 2OTN Chain:A ((208-287)) ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------EEEMNFRVWERGSGVTQACGTGACAAVVASILNGKME-------RGKEITVHLAGGDLMIAWTEE--------GNVLMKGPAEVICRGVYEYKIE--

General information: TITO was launched using: RESULT: Template: 2OTN.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 : 250 -38462 -153.85 -480.78 target 2D structure prediction score : 0.26 Monomeric hydrophicity matching model chain A : 0.55 3D Compatibility (PKB) : -153.85 2D Compatibility (Sec. Struct. Predict.) : 0.26 1D Compatibility (Hydrophobicity) : 0.55 QMean score : 0.230

(partial model without unconserved sides chains): PDB file : Tito_2OTN.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2OTN-query.scw PDB file : Tito_Scwrl_2OTN.pdb: