Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNNIKESVQKLLGEELIVFELKGKGACNNAYYVE--TQSGKKFIIKEERPNGELKEQNSLAVEAHVIKQLSNLNFS-APLAK-VYFIS-----KEPNMFGYVYIEGDLLIDAWKKLTEEERIGICQNLGVFHAELEQRVTEAMAREMGVQINTYIGLHPEVEEEYSKI------LTFTD-IPN-------GWKTLAQKTKTIFDK-TLELGVFQFLHNDAHHENIIVKDGEITGIIDFGDSEYGEIAREFSRYIRDF------PDHAEYIIKAYEKASGHKLSRERLISNSFLSGLMDNVEDYRKGGEDCIRAEKAVSKYEDIFT 3I1A Chain:B ((10-289)) --QLIELLKVHYGIDIHTAQFI-QGGADTNAFAYQADSESKSYFIKLKYGYH-------DEINLSIIRLLHDSGIKEIIFPIHTLEAKLFQQLKHFKIIAYPFIHAPNGFTQN--L----TGKQWKQLGKVLRQIHETSVPISIQQQLRKEIYSPKWREIVRSFYNQIEFDNSDDKLTAAFKSFFNQNSAAIHRLVDTSEKLSKKIQPDLDKYVLCHSDIHAGNVLVGNEESIYIIDWDEPMLAPKERDLMFIGGGVGNVWNKPHEIQYFYEGYGEINV---DKTIL-SYYRHERIVEDI-------------------------

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 : 944 19296 20.44 77.18 target 2D structure prediction score : 0.60 Monomeric hydrophicity matching model chain B : 0.67 3D Compatibility (PKB) : 20.44 2D Compatibility (Sec. Struct. Predict.) : 0.60 1D Compatibility (Hydrophobicity) : 0.67 QMean score : 0.283

(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: