Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSVYTPLSLDEVRT-FAAPYGLEVLELNPIQGGIQNTNYFLV-DVNRKQYVLTVFEELDAQGAGELIPVLEQLGTHDVP-VAVPLKH-SGQAVHFIAGKPAQIAPRLMGHHPMQ--TTVAQVAAIADAQAKLHVALQDFPLEREY--RRDHQYWTGVAEQLKPNMT----------------QDDQTLLEQVYQAFNAKTA--QYSNRPTGFIHSDLFRDNTLFEGEQLQGILDFYELNQDELLFDIAITINDFCTEYPAAHLN-SDKVGAYLEAYQKVRALTSDELECLDVFLAMAACRFWSMRLQVAQKNKEEGRTGDDILQKDPQEMRAMMQDRLSHVKA 3I1A Chain:B ((5-272)) -----PIQAQQLIELLKVHYGIDIHTAQFIQGGADTNAFAYQADSESKSYFIKLKYGYHD---EINLSIIRLLHDSGIKEIIFPIHTLEAKLFQQLKHFKIIAYPFIHAPNGFTQNLTGKQWKQLGKVLRQIHETSVPISIQQQLRKEIYSPKWREIVRSFYNQIEFDNSDDKLTAAFKSFFNQNSAAIHRLVDTSEKLSKKIQPDLDKYVLCHSDIHAGNVLVGNEESIYIIDWDEPMLAPKERDLMFIGGGVGNV-----WNKPHEIQYFYEGYGEINV--------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3I1A.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 : 909 -8687 -9.56 -36.05 target 2D structure prediction score : 0.51 Monomeric hydrophicity matching model chain B : 0.65 3D Compatibility (PKB) : -9.56 2D Compatibility (Sec. Struct. Predict.) : 0.51 1D Compatibility (Hydrophobicity) : 0.65 QMean score : 0.284

(partial model without unconserved sides chains): PDB file : Tito_3I1A.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3i1a-query.scw PDB file : Tito_Scwrl_3I1A.pdb: