Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MPAIDELEVLAKDWSGWPNLISRPPSFDDFQFLDNGLTNNNWLLHGDQQRYVIRMNAANAKALYLNREAEWHIHDLVSQEGLCPSFIYRHPSDKYWIRPFQSGL-TLSHALTNETFDLENFIRQAAVIFRKIHSMPLSSSWPRINFKERTDHYWNQLLEHHAS-DEQRLIKLKEQLDNTFQVKPFSAVLCHMDANAKNWIIESDTSHEIHNISLIDWEYAAVANPMWDLAVFLDHLPLNEEQEACFLKAYGPI----SFKALSEAKQQMQYLSQLWFVIQQQAKPESLESLLKSERS 4R7B Chain:A ((37-283)) ------------------------EEVLSVEQL-GGMTNQNYLAKTTNKQYIVKFFGK-GTEKLINRQDEKYNLELLKDLGLDVKNYLFDIEAGIKVNEYIESAITLDST------SIKTKFDKIAPILQTIHTSAKELRG-EFAPFEEIKKYESLIEEQIPYANYESVRNAVFSLEKRLADLGVDRKSCHIDLVPENFIESPQG-----RLYLIDWEYSSMNDPMWDLAALFLESEFTSQEEETFLSHYESDQTPVSHEKIAIYKILQDTIWSLWTVYKEEQGE------------

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 : 1095 -7116 -6.50 -29.53 target 2D structure prediction score : 0.67 Monomeric hydrophicity matching model chain A : 0.68 3D Compatibility (PKB) : -6.50 2D Compatibility (Sec. Struct. Predict.) : 0.67 1D Compatibility (Hydrophobicity) : 0.68 QMean score : 0.376

(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: