Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MQIGIPTETVVGENRVAATPETVKKLISAGHSVVIERGAGVKAAYIDSAYEQVGATITDDA-YTGSQIILKVRAPQGGEIQKLAANTTVVAMFDPYRN-TELDQFANQQVSAFALELLPRTLSRAQNMDVLSSQANLAGYKSVLLAAAEYQRMFPMLMTAAGTVKPARVVIMGVGVAGLQAVATAKRLGAIVEATDLRPTAKDQVESLGGKWLDVPMSEEEQQRAADAAKNGYGWMPGEQYIKDQAAIVDKAVSNADIVITTALLPGRDAPRLIKAETVAKMKPGSVILDMAVETGGNVEGSKVGETVVTENGVKILGIPNIPATVATEASALYARNVFNFVETLFDKEKNFA-INQEDEIQKAL-LVTHGGQVLLKRG 4DIO Chain:A ((32-399)) EIVFIAKESDPNEGRVAGSVESVKKLKSLGFDVVVEAGAGLGSRIPDQEYEKAGARVGTAADAKTADVILKVRRPSAQEISGYRSGAVVIAIMDPYGNEEAISAMAGAGLTTFAMELMPR-ITRAQSMDVLSSQANLAGYQAVIDAAYEYDRALPMMMTAAGTVPAAKIFVMGAGVAGLQAIATARRLGAVVSATDVRPAAKEQVASLGAKFIAVED---------------------GEYQVKQAALVAEHIAKQDIVITTALIPGRPAPRLVTREMLDSMKPGSVVVDLAVERGGNIEGAEAG-KVTEVGGVRIVGHLNVAGRIAASASLLYAKNLVTFLETMV------ALALNMEDELVKATALTHGGAVV----

General information: TITO was launched using: RESULT: Template: 4DIO.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 : 2019 -69406 -34.38 -202.94 target 2D structure prediction score : 0.67 Monomeric hydrophicity matching model chain A : 0.83 3D Compatibility (PKB) : -34.38 2D Compatibility (Sec. Struct. Predict.) : 0.67 1D Compatibility (Hydrophobicity) : 0.83 QMean score : 0.552

(partial model without unconserved sides chains): PDB file : Tito_4DIO.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4DIO-query.scw PDB file : Tito_Scwrl_4DIO.pdb: