Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MGILEYTSQLDIEFKKALGLIF---KQELNLERIKQGEVNYSYKVTSEQDIPLYHARIFRYEGH--PDTEKLLWISGELKKRNIPQARILYREKSSINFPNGFMVSNWIEGK-NGWQSIKDGAYSLKNFTLETAKILLKIHEIKVASFGWPYGKGWGYYNTYQDRITGLPNNDEFKKLFNNDYLKRKYVLNIVSLLLKALEKIPF-PEQPILAHSDPTPDNIIVRNDRSLVLIDWDDSEGSWWVRDYSYLRYWSDKPEEIKAGFFSGYGKIDMNESEIEIAELVEWILQSLRLLPYYKFSFAD---EG-KYQKRMTRLKENVRQLKLLV 4R78 Chain:A ((18-303)) ------GSHMEKIIKEKISSLLSQEEEVLSVEQL-GGMTNQNYLAKTTN-K-QYIVKFFGKGTEKLINRQDEKYNLELLKDLGLDVKNYLFD------IEAGIKVNEYIESAITLDSTS------IKTKFDKIAPILQTIHTSAKELRGEFAPF--EEIKKYES----LI--E---EQIPYA--NYESVRNA---VFSLEKRLADLGVDRKSCHIDLVPENFIESPQGRLYLIDWEYSSMNDPMWDLAALFLESEFTSQEEETFLSHYESDQT--PVSHEKIAIYKILQDTIWSLWTVYKEEQGEDFGDYGVNRYQRAVKGLASY----

General information: TITO was launched using: RESULT: Template: 4R78.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 : 1308 46536 35.58 169.22 target 2D structure prediction score : 0.64 Monomeric hydrophicity matching model chain A : 0.63 3D Compatibility (PKB) : 35.58 2D Compatibility (Sec. Struct. Predict.) : 0.64 1D Compatibility (Hydrophobicity) : 0.63 QMean score : 0.340

(partial model without unconserved sides chains): PDB file : Tito_4R78.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4r78-query.scw PDB file : Tito_Scwrl_4R78.pdb: