Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MLPEFADPLLHAELADAGIHGLKPVAPLCMGTSNQNFLATSQGESWVLRVNSRHTTELCPREREVACWRLAAAAGLAPELRFVSGDYRYYLSRYVHTE-PPWHKRYPNDLKTVRMLHELLTSLQFLPKTARVITPATQWQHYRDLLAQYAPTFDAHQR-EAFNALLAQEDKIEEAIAGLQD-SQQLSFCHRDLNPHNLLVHQ-DRLVCIDFEYSCVSDRRVDLATLLACHTLTNDQARRLLQLQSYG---VSARELAWARQVYWAYAASWSLIMWHKGVGSPNWIRDALYQLHA 4R7B Chain:A ((27-280)) -------EKISSLLSQE--EEVLSVEQL-GGMTNQNYLAKTTNKQYIVKFFGKGTEKLINRQDEKYNLELLKDLGLDVKNYLFDIEAGIKVNEYIESAITLDSTSI---KTKFDKIAPILQTIHTSAKELRGE--FA----PFEEIKKYESLIEEQIPYANYESV---RNAVFSLEKRLADLGVDRKSCHIDLVPENFIESPQGRLYLIDWEYSSMNDPMWDLAALFLESEFTSQEEETFLSHYESDQTPVSHEKIAIYKILQDTIWSLWTVYKEE------------------

General information: TITO was launched using: RESULT: Template: 4R7B.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 : 1119 -19772 -17.67 -80.05 target 2D structure prediction score : 0.62 Monomeric hydrophicity matching model chain A : 0.68 3D Compatibility (PKB) : -17.67 2D Compatibility (Sec. Struct. Predict.) : 0.62 1D Compatibility (Hydrophobicity) : 0.68 QMean score : 0.417

(partial model without unconserved sides chains): PDB file : Tito_4R7B.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4r7b-query.scw PDB file : Tito_Scwrl_4R7B.pdb: