Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MGDYSKLHPKTAQRILNQYGIEDEFTLKALSLGISNSNYKVDTGNKQYLLKVSNDKGFAELC---DEQHILKHLKDLGFPYSICALPTIKGELVYKQEDLFGVLFPFIKGIPPG---PSDITC---------REIGRALGKLHATTKDKELDVREYAAIGQDAKTIREFIDDPSCPADFSEAFHQVFSDDLK-GYLSVNKTRCLIHGDLYYDNTLFWDESIAVLLDFEQAGLGNALLDLGISISGSCIEKGQINPQLVESFCEGYKLSHALNDNEKNYLADAILLGLFSIALWRIKRFKHGNLNPMLENSYRDLLNKAKSFKTIIDSKGLKFEL 4R78 Chain:A ((47-282)) --------------------------------GMTNQNYLAKTTNKQYIVKFFG-KGTEKLINRQDEKYNLELLKDLGL-------------------DVKNYLFDIEAGIKVNEYIESAITLDSTSIKTKFDKIAPILQTIHTSAK----ELRGEFAPFEEIKKYESLIEEQIPYANYESVRNAVFSLEKRLADLGVDRKSC--HIDLVPENFIESPQGRLYLIDWEYSSMNDPMWDL-----AALFLESEFTSQEEETFLSHYESDQTPVSHEKIAIYKILQDTIWS--LWTVYKEEQG---------------------------------

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 : 941 25717 27.33 116.89 target 2D structure prediction score : 0.66 Monomeric hydrophicity matching model chain A : 0.68 3D Compatibility (PKB) : 27.33 2D Compatibility (Sec. Struct. Predict.) : 0.66 1D Compatibility (Hydrophobicity) : 0.68 QMean score : 0.190

(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: