Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MVENMGRDSMWQAISTLLRDWHTEDAEIELKTELPGGEIHSAWH--LRFGGKDYFVKCDERELLPIFTAESDQLELLSRSKTVR-VPQVFAVGS------DRDYSFVVMEYLPPRPLD-----AHNAFLLGQQLAHLHQWSDQPQFGLDFDNDLSTTPQPNAWQRRWSVFFAEQRIGWQLELAAEK-GLHF----GDIDTLVD---MVQQRLANHQPQPSLLHGDLWSGNCALGP-DGPYIFD-PACYWGDRECDLAMLPMH-------PEQPPQIYDGYQSVSPLPSGFLDRQPIYQLYTLLNRAILFGGQHLVTAQQALDDVLMEKMR 3I1A Chain:B ((5-293)) -------PIQAQQLIELLKV-HYGI-DIHTAQFIQGGADTNAFAYQADSESKSYFIKLKYGYH---DEINLSIIRLLHDS-GIKEIIFPIHTLEAKLFQQLKHFKIIAYPFIHAPNGFTQNLTGKQWKQLGKVLRQIHETSVPISIQQQ----LRKEIYSPKWREIVRSFYNQIEFDNSDDKLTAAFKSFFNQNSAAIHRLVDTSEKLSKKIQPDLDKYVLCHSDIHAGNVLVGNEESIYIIDWDEPMLAPKERDLMFIGGGVGNVWNKPHEIQYFYEGYGEINVD----KTILSYYRHERIVEDIAVYG--------------------

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 : 1003 -3957 -3.94 -15.34 target 2D structure prediction score : 0.64 Monomeric hydrophicity matching model chain B : 0.65 3D Compatibility (PKB) : -3.94 2D Compatibility (Sec. Struct. Predict.) : 0.64 1D Compatibility (Hydrophobicity) : 0.65 QMean score : 0.276

(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: