Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MEKNWERFVKVEKVNIGEVTDIMKNMEKDIKITGYKLISKGQRNTNYMVNT--LTDKLFLRICADENLSKNEEAAFKILKE-KIT-MPRLVLTFSQI---VKSQKKRIMIYEYIDSITGDEYLEKNNRFSEKLLKNIAFILAELHNIKILSLKGIN-----SLPSLKECFEMLMENS-------VLRKRMG---I---DSIKKLNAVIEKYKEEIEK-KRENFLVHCDFKTSNLIMDKDEKIYVTDWEYLGCGNRYFDIGLFFRYKN-YFT-KKDMEIFCEEYNRNAEISLDENWIEMGVLCNIVSLMEMLSREEDAFEKNNDIKNLIEKEIKFLIEK 3I1A Chain:B ((6-269)) -------------IQAQQLIELLKVHY-GIDIHTAQFIQGGADTNAFAYQADSESKSYFIKLKYGYHD-EINLSIIRLLHDSGIKEIIFPI-HTLEAKLFQQLKHFKIIAYPFIHAPNGFTQNL-----TGKQWKQLGKVLRQIHETSVPISIQQQLRKEIYSPKWREIVRSFYNQIEFDNSDDKLTAAFKSFFNQNSAAIHRLVDTSEKLSKKIQPDLDKYVLCHSDIHAGNVLVGNEESIYIIDWDEPMLAPKERDLMFIGGGVGNVWNKPHEIQYFYEGYGE-----------------------------------------------------

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 : 863 -43133 -49.98 -182.77 target 2D structure prediction score : 0.56 Monomeric hydrophicity matching model chain B : 0.68 3D Compatibility (PKB) : -49.98 2D Compatibility (Sec. Struct. Predict.) : 0.56 1D Compatibility (Hydrophobicity) : 0.68 QMean score : 0.237

(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: