Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNQIVEDAGSLDVFRWPSSSPPSPENLEHAARLCQGALGSTSVAVVATPYNHAGWSAQDCIKVSFPSENRSFIAKVPRLVDENSATACKNEAQRASWASQHQIG--PAVIAID--------DLSGAFAMEFLSGQTLSAQMMLQDHLKTCTIGLLRRIHDAPSQHYMQ----IYNAPAAVKRMLQAAD----K----ERL---LDGDD---GLLLESLITWTFQKVG-CQPTFQTLVPCHNDFHSQNIMLDQQGTLWAIDFEDCDLGDPMWDLGYLTANMGLE---PL--D-LAGIY-GCNMEQKKRLEVFYYLAIGHCAVWSAIHGPLWTQHYRDCMLRLRRGWLRL 3I1A Chain:B ((6-290)) ------------------------IQAQQLIELLKVHYGIDIHTA--QFIQ-GGAD-TNAFAYQADSESKSYFIKLKYGYHD------EINLSIIRLLHDSGIKEIIFPIHTLEAKLFQQLKHFKIIAYPFIHAPNGFTQN-LTGKQWKQLGKVLRQIHETSVPISIQQQLRKEIYSPKWREIVRSFYNQIEFDNSDDKLTAAFKSFFNQNSAAIHRLVDTSEKLSKKIQPDLDKYVLCHSDIHAGNVLVGNEESIYIIDWDEPMLAPKERDLMFIGGGVGNVWNKPHEIQYFYEGYGEINVD-KTILSYYRHERIVEDIA---------------------------

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 : 949 -35559 -37.47 -142.81 target 2D structure prediction score : 0.56 Monomeric hydrophicity matching model chain B : 0.66 3D Compatibility (PKB) : -37.47 2D Compatibility (Sec. Struct. Predict.) : 0.56 1D Compatibility (Hydrophobicity) : 0.66 QMean score : 0.218

(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: