Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKMLLVLFDKQGQILLCRNPSGYSVPTNGAEVDEGFGFGSPQEENRWFWENCGLLVYRRYICFYKDYCAAVFELYGEGNVGKEFIWMDSGSLDKFIVGNSLTVLLKAVMKNYNCSKTVSWVNKDGFQPYLNWALKAAGSDTQLTYGKIEQIKNTYVSTIFRFQAGEEIFYLKIPGKTYLNDAVHIEKFLVNSTYGLPEITAVYPDGNAFLAKAMGG-HDLSVETDMVFLEQVVEQWADMQQRFTEKQDAFSSKIPLLHNYTAEGIMKRIDNFPSEVSDIFAFLNEQSNAVDAAKTGQMIREVKRLLSLLAKCKVPDTLCHGDLRPGNIRVV-NGFCFLYDWGMGMYGHPFYDVVHFLH-VTRRQLSQEMQEKIKNTYLKQWEMYGTGKDILRNYETVERLKDFFMVLADADWLMETIEAVGGKVPEGSMDSWLLMRRVYYFRRVLGRFLAGDNN 3I1A Chain:A ((3-330)) -----------------KQPIQAQQLIELLKVHYGIDIHTAQFIQG-----------------GADTNAFAYQADSESK--------------SYFIKLKYGYHDEINLSIIRLLHDSGIKEIIFPIHTLE--------------AKLFQQLKHFKIIAYPFIHAPN-----------------------------GFTQNLTGKQWKQLGKVLRQIHETSVPISIQ-----------QQLRKEIYSPKWREIVRSFYNQIEF------DNSDDKLTAAFKSFFNQN----SAAIHRLVDTSEKLSKKIQPDLDKYVLCHSDIHAGNVLVGNEESIYIIDWDEPMLAPKERDLMFIGGGVGNVWNKPHEIQYFYEGY-------GEINVDKTILSYYRHERIVEDIAVYGQDLLSRNQN-----NQSRLESFKYFKEMFDPNNVVEIAFATE--

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 : 1516 -32451 -21.41 -99.85 target 2D structure prediction score : 0.50 Monomeric hydrophicity matching model chain A : 0.58 3D Compatibility (PKB) : -21.41 2D Compatibility (Sec. Struct. Predict.) : 0.50 1D Compatibility (Hydrophobicity) : 0.58 QMean score : 0.188

(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: