Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MLYNLNVYIRGDNMSSIPFSR-ISRFWGLKRKIVLEKKTNAR-A-FI---VRSGSIFYVLKRRVASLPSRSCQTELLKYLVQSGLP-VSAPIPSGSGEFEVKIGKYVYSLFPYIEGEKADSNISNATPEMAEELGIFTGRLHRVLKEAEG-SFFERTNLLKSLTS-AIRYFNSTG--------SF----FSRSDMEMIEEFFTDFYK----L-YYKLPVQIIHGDYHPGNIIVHEGKVSGIIDFDCATREVKALDLAYLIHSVFAEFSRMGSPSLFLYLLPHLLEGYCLENTLSFDERESLGYLLAAISIIQIHYFSANGLSDEANFASTVFRWIYLNNHRIKEKSGLVLTRSKKAV 3I1A Chain:B ((4-292)) -----------QPIQAQQLIELLKVHYGIDI-HTAQFIQGGADTNAFAYQADSESKSYFIKLKYG-YH-DEINLSIIRLLHDSGIKEIIFPIHTLEAKLFQQLKHFKIIAYPFIHAPNGFTQN--LTGKQWKQLGKVLRQIHETSVPISIQQQLRKEIYSPKWREIVRSFYNQIEFDNSDDKLTAAFKSFFNQNSAAIHRLVDTSEKLSKKIQPDLDKYVLCHSDIHAGNVLVGNEESIYIIDWDEPMLAPKERDLMFIGGGVGNVW-------NKPHEIQYFYEGYGEINV-D---KTILSYYRHERIVEDIAVY-----------------------------------------

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 : 1043 -21357 -20.48 -81.21 target 2D structure prediction score : 0.54 Monomeric hydrophicity matching model chain B : 0.65 3D Compatibility (PKB) : -20.48 2D Compatibility (Sec. Struct. Predict.) : 0.54 1D Compatibility (Hydrophobicity) : 0.65 QMean score : 0.332

(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: