Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MPLGPEGVTRGWLGAALGRDVSDLRLVRVGVDEGFTGTRLYRAEIGGGASVIVKLA-----SEDAALRARFAAENAREVAFYHHYAEGLPVPRCYHAASDAEAGASVVVLEDLGGARSVPFVTGLSRDEAEAAVRALARCH-----AAHWGAAGLADLPGASVAQELGFAACWDGYAQALQGLLPGADLSPEVLALGAAMARDAAAVLGPILDDGVLTLR-HGDVQADNLMF-DGPGAVLLDWQFMARGRGGSDLAYLLISSLEPEVRRAHEAALIACYLNALQEQGIAYEHAALWRDYRRGVAVKLLMSVVATVGMDNQGAAKQAWRRADLARLLAFAADHGAGEAA- 3I1A Chain:A ((3-330)) KQPIQAQQLIELLKVHYGIDIHTAQFIQGGADTN---AFAYQADSESK-SYFIKLKYGYHDEINLSIIRLLHDSGIKEIIFPIHTLEAKLFQQ--------LKHFKIIAYPFIHAPN--GFTQNLTGKQWKQLGKVLRQIHETSVPISIQQQLRKEIYSPKWREIVRSFYNQIEFDNSDDKLTAAFKSFFNQNSAAIHRLVDTSEKLSKKIQPDLDKYVLCHSDIHAGNVLVGNEESIYIIDWDEPMLAPKERDLMFIGGGVGNVWNKPHEIQYFYEGY----GEINVDKTILSYYRHER---IVEDIAVYGQDLLSRNQNNQSRLESFKYFKEMFDPNNVVEIAFATE

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 A - contact count / total energy / energy per contact / energy per residue : 1425 -30255 -21.23 -96.05 target 2D structure prediction score : 0.65 Monomeric hydrophicity matching model chain A : 0.62 3D Compatibility (PKB) : -21.23 2D Compatibility (Sec. Struct. Predict.) : 0.65 1D Compatibility (Hydrophobicity) : 0.62 QMean score : 0.279

(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: