Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTAAEAGADTDAALLALAQRLAAQAG-KATPTALTRLAGGRNNQVFRVDTEAGPLVLKRYFTDARDSRDRLGAEWSFISHAWSRGVRVVP-----EPMACDRAVQAGLYSFVEGRKLTAAELAPAHVDAAIDFVLAV-NAPPRPTLAPGSEACFSLAEHIATVERRVARLATLDADVPHVSEARQFVATRLQPAWAEVKATILRGAAAEGLALDAAIPADQVCLSPSDFGFHNALIDDQGKLTFLDFEYAGRDDPAKLVSDFFCQPEVPVPLAAHEHFIDRLADGLGLDAASVARCRLLLDAYQVKWTCIILNDFLPLGAVRRAFADTGAWAQRCAVQLAKAEAQLGLIGATSD 3I1A Chain:A ((3-330)) --------KQPIQAQQLIELLKVHYGIDIHTAQFIQGGADTNAFAYQADSESKSYFIKLKY---GYHDEINLSIIRLLHDSGIKEIIFPIHTLEAKLFQQLKHFKIIAYPFIHAPNGFTQNLTGKQWKQLGKVLRQIHETSVPISIQQQLRKEIYSPKWREIVRSFYNQIEFDNSDDKLTAAFKSFFNQNSAAIHRLVDTSEKLSKKIQP-------DLDKYVLCHSDIHAGNVLVGNEESIYIIDWDEP---MLAPKERDLMFIGGGVGNVWNKPHEIQYFYEGYGEINVDKTILSYYRHERIVEDIAVYGQDLLSRNQNNQSRLESFKYFKE-----MFDPNNVVEIAFATE

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 A - contact count / total energy / energy per contact / energy per residue : 1474 -6998 -4.75 -21.80 target 2D structure prediction score : 0.53 Monomeric hydrophicity matching model chain A : 0.66 3D Compatibility (PKB) : -4.75 2D Compatibility (Sec. Struct. Predict.) : 0.53 1D Compatibility (Hydrophobicity) : 0.66 QMean score : 0.233

(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: