Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MPSPKLKLNLYQKLLGLDHAQFSLIQHEDAIVAIVYEVIEPS-GKKLILKICEQERHFLREVYFLEALKD-KIP-VPQILQAIEPN----SKRHGAILMEYLPGQVLNKETLTCELAEKAGYQLARLHLNSEKGYGDLIS-KDSLTQDPKADLIQRFEEGLD-----ECEA----HLP--SSLLNECRHYFHTHLYLLE-LADGPCIIHRDFRPGNLLANKNKLLGIIDWASARAGFAQEDFSSLEMGEWS-T-QASIQAAFLSGYETIRPIPRYQELMPLLKLSRSAAILGYLYRKGIYHKSSAKLHQSHLNFLKTFIEA 3I1A Chain:B ((7-289)) --QAQQLIELLKVHYGIDIH--TAQFIQGGADTNAFAYQADSESKSYFIKLKYGY-HDEINLSIIRLLHDSGIKEIIFPIHTLEAKLFQQLKHFKIIAYPFIHAPNGFTQNLTGKQWKQLGKVLRQIHETSVPISIQQQLRKEIYSPKWREIVRSFYNQIEFDNSDDKLTAAFKSFFNQNSAAIHRLVDTSEKLSKKIQPDLDKYVLCHSDIHAGNVLVGNEESIYIIDWDEPMLAPKERDLMFIGGGVGNVWNKPHEIQYFYEGYGEINVD---KTILSYYRHERIVEDI------------------------------

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 : 1022 -29624 -28.99 -113.50 target 2D structure prediction score : 0.54 Monomeric hydrophicity matching model chain B : 0.65 3D Compatibility (PKB) : -28.99 2D Compatibility (Sec. Struct. Predict.) : 0.54 1D Compatibility (Hydrophobicity) : 0.65 QMean score : 0.287

(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: