Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MGDYSKLHPKTAQR-ILNQYGIEDEFTLKALSLGISNSNYKV--DTGNKQYLLKVSNDKGFAELC-DEQHILKHLKDLGFP-YSICALPTIKGELVYKQEDLFGVLFPFIKGIPPGP--SDITCRE-IGRALGKLHATTKDKE-LDV----REYAAIGQDAKTIREFID-D--PS-CP----ADFSE--AFHQVFSDDLKG----YLSVNKTRCLIHGDLYYDNTLFWDESIAVLLDFEQAGLGNALLDLGISISGSCIEKGQINPQLVESFCEGYKLSHALNDNEKNYLADAILLGLFSIALWRIKRFKHGNLNPMLENSYRDLLNKAKSFKTIIDSKGLKFEL 3I1A Chain:B ((6-272)) ------IQAQQLIELLKVHYGID-IHTAQFIQGGADTNAFAYQADSESKSYFIKLKYGY----HDEINLSIIRLLHDSGIKEIIF-PIHTLEAKLFQQLKHFKIIAYPFIHAPNGFTQNLTGKQWKQLGKVLRQIHETSVPISIQQQLRKEIYSPKWREIVRSFYNQIEFDNSDDKLTAAFKSFFNQNSAAIHRLVDTSEKLSKKIQPDLDKYVLCHSDIHAGNVLVGNEESIYIIDWDEPMLAPKERDLMFIGGGVGNVW--NKPHEIQYFYEGYGEINV----------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3I1A.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 898 12142 13.52 50.59 target 2D structure prediction score : 0.62 Monomeric hydrophicity matching model chain B : 0.64 3D Compatibility (PKB) : 13.52 2D Compatibility (Sec. Struct. Predict.) : 0.62 1D Compatibility (Hydrophobicity) : 0.64 QMean score : 0.266

(partial model without unconserved sides chains): PDB file : Tito_3I1A.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3i1a-query.scw PDB file : Tito_Scwrl_3I1A.pdb: