Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSAYQLPTVWQDEASNQGAFTGLNRPTAGARFEQNLPKGEQAFQLYSLGTPNGVKVTILLEELLEAGFKEAAYDLYKIAIMDGDQFGSDFVKLNPNSKIPALLDQSGTEDVRVFESAHILLYLAEKFGAFLPSNPVEKVEVLNWLFWQAGAAPFLGGGFGHFFNYAPEKLEYPINRFTMEVKRQLDLLDKELAQKPYIAGNDYTIADIAIWSWYGQLVQGNLYQGSAKFLDASSYQNLVKWAEKIANRPAVKRGLEVTYTEIK 4ECJ Chain:A ((6-205)) --------------------------------------------LYTAATPNGHKVSIALEEM------GLPYRVHALSFDKKEQKAPEFLRINPNGRIPAIVDRD-NDDFAVFESGAILIYLAEKTGQLMPADVKGRSRVIQWLMFQMGGVGPMQGQANVFFRYFPEKLQGAIDRYQHETRRLYEVLDGRLGEAEYLAG-DYSIADIATYPW----VRIHDWSGVA----VDGLDNLQRWIAAIEARPAVQRGLLVPRR---

General information: TITO was launched using: RESULT: Template: 4ECJ.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 : 952 -113043 -118.74 -565.22 target 2D structure prediction score : 0.62 Monomeric hydrophicity matching model chain A : 0.77 3D Compatibility (PKB) : -118.74 2D Compatibility (Sec. Struct. Predict.) : 0.62 1D Compatibility (Hydrophobicity) : 0.77 QMean score : 0.378

(partial model without unconserved sides chains): PDB file : Tito_4ECJ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4ECJ-query.scw PDB file : Tito_Scwrl_4ECJ.pdb: