Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNSYAHLNHYISPSAEAGLSDAWRRSLGRLGDYSAILIRSLNLRPLEVSLHDQTEEHILVRIRLPGSYLILRVAPEDDLAAYVYQIRTLNGHNIP-APQIIQRDLSR---SLVPFAFTLESYVPGVTAIELQSAPLLRGAGRQAGRALRRMHRIPVTSAGRPTAS-GRWTQQNWRTVLRQIGRRLAAP----PA---DALIFGEREQRVVADL----LDHPVL--ECQQPSLIHGRFSPRAVRCTSSGNVHVEALIDPGHYVGGDGLYDLACGLCAA----YPEPWREGLLDGYQSAGPLNEAERRRLPLLQLLTNYWEACRLYM---HAEPHEAARSEAIRLMEEQVGLTRLVSV 3I1A Chain:B ((23-323)) ---------------------------------------IHTAQFIQGGA-DTNA--FAYQADSESKSYFIKLKYGYHDEINLSIIRLLHDSGIKEIIFPIHTLEAKLFQQLKHFKIIAYPFIHAPNGFTQNL---TGKQWKQLGKVLRQIHETSVPISIQQQLRKEIY-SPKWREIVRSFYNQIEFDNSDDKLTAAFKSFFNQNSAAIHRLVDTSEKLSKKIQPDLDKYVLCHSDIHAGNVLVGNE---ESIYIIDWDEPMLAPKERDLMFIGGGVGNVWNKPHEIQYFYEGYGEINV----DKTILSYYRHERIVEDIAVYGQDLLSRNQNNQSRLESFKYFKEMFDPNNVV--

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 : 1157 -24990 -21.60 -90.54 target 2D structure prediction score : 0.62 Monomeric hydrophicity matching model chain B : 0.64 3D Compatibility (PKB) : -21.60 2D Compatibility (Sec. Struct. Predict.) : 0.62 1D Compatibility (Hydrophobicity) : 0.64 QMean score : 0.353

(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: