Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MFKPISLYIGLRYTRARRSNHFISFIALVSMVGLTLGVAVLITVLSVMNGFDRELKNRVLGMVPQATVSSTQIL--TDWPELVKRVENHPHMTGVAPFTQLQGMLTAQGQVAGIMVTGIDPKYEKNVSIIQNHIVAGSLDSLKKGEFGIVLGKDMADSLGLRLNDSVTLVLPEATPSPAGVVPRFKRFKVVGIFSVGAEVDSMVGYIALYDASTLLRLPDGAQGVRLKLDDIFAAPQVADDIVKNLPS-NFYATNWTYTHGNLFNAIQMEKTLVGLLLVLIIVVAAFNIVSSLVMVVTDKKSDIAILRTLGASPSMITKIFMVQGTVIGVIGTVAGTVLGVILALTISDIISWFNNVLGLNLFDAYFVHYLPSYLRWKD-VTIIVIVSLLLSFLATIYPALRAAKV-QPAEALRYE 3UIF Chain:A ((2-331)) VEDLKVVRIASVATNVGGKTVYAGSASLVVN-----------------GAFPEELRK------QGIKVEWVPAAMASVGPVINEGFASGKIDFGIYG---DLPPIILNASKPTVQLVAPWGTTSNSYLVVPKNSTAKSIKDLKGKKIALHRGRP-WELAFSNLLQSEGLTFKDFKIVNVNPQVGAAALA-------SGTVDGFFSLFDSYILED---------------RGVGKIIWSTKTAPVDWKLMGGVWARNDFVKQN-------PEITQAIVTAYLKSVHWVA---------QDENKETYIREYSNKIYPESVNRREYDQDNVSWRQRWS---------PLYDVALQEHYRKAVAYAQA---SGLTRTQADVQQMLN--------PHFVATALKELKLEGFWTPNAENLY-

General information: TITO was launched using: RESULT: Template: 3UIF.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 : 1807 -39951 -22.11 -122.92 target 2D structure prediction score : 0.49 Monomeric hydrophicity matching model chain A : 0.55 3D Compatibility (PKB) : -22.11 2D Compatibility (Sec. Struct. Predict.) : 0.49 1D Compatibility (Hydrophobicity) : 0.55 QMean score : 0.289

(partial model without unconserved sides chains): PDB file : Tito_3UIF.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3UIF-query.scw PDB file : Tito_Scwrl_3UIF.pdb: