Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MIESQAPMLEMLWEPHDPRHALAERFGFSDSESASRWVAAMLDEHWGIRIDSCERILMSGG-NAL--AWVGTPSGRLLAKWSVVLDCFPRLMETARLTNWLHGRGLP-VSVPVPTRDGCLQVEVDRVSMGLQREIVGDLLDT--GDLNQVRAAGVILAQLQDALAAYPDADQ----FLAPVV---SSKPLTVRVTD------W---LDSRADHLPMAARDTLRGLVA----SAPPDRLPRQLVHFDIRSANILWACGGVAAILDFEEAQHDHRIVELARAAVLLGTRYHNWGPVSADVRTEFLTGYQSERLLTPAEAGWLHIVLLWQALAMVPPGDDPTGWGPSALSQLSQETAR 3I1A Chain:B ((4-272)) ------------------------------QPIQAQQLIELLKVHYGIDI-HTAQFIQGGADTNAFAYQADSESKSYFIKLKYGYH----DEINLSIIRLLHDSGIKEIIFPIHTLEAKLFQQLKHFKIIAYPFIHAPNGFTQNLTGKQWKQLGKVLRQIHETSVPISIQQQLRKEIYSPKWREIVRSFY-NQIEFDNSDDKLTAAFKSFFNQNSA-AIHRLVDTSEKLSKKIQPDLDKYVLCHSDIHAGNVLVGNEESIYIIDWDEPMLAPKERDLMFIGGGVGNVW-----NKPHEIQYFYEGYGEINV--------------------------------------------

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 : 921 -3067 -3.33 -12.62 target 2D structure prediction score : 0.51 Monomeric hydrophicity matching model chain B : 0.63 3D Compatibility (PKB) : -3.33 2D Compatibility (Sec. Struct. Predict.) : 0.51 1D Compatibility (Hydrophobicity) : 0.63 QMean score : 0.227

(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: