Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNQIVEDAGSLDVFRWPSSSPPSPENLEHAARLCQGALGSTS----VAVVATPYNHAGWSAQDCIKVSFPS--------ENRSFIAKVPRLVDENSATACKNEAQRASWASQHQIGPAVIAIDDLSGAFAMEFLSGQTLSAQMMLQDHLKTCTIGLLRRIHDAPSQHY----MQ----IYNAPAAVKRMLQAADKERLLDGDDGLLLESLITWTFQKVGC---QPTFQTLVPCHNDFHSQNIMLDQQGTLWAIDFEDCDLGDPMWDLGYLTANMGL------------------EPL--D-LAGIY-GCNM----------EQ-KKRLEVFYYLAIGHCAVWSAIHGPLW-----TQHYRDCMLRLRRGWLRL 3C5I Chain:D ((11-354)) -----------------------LTDPLYIKKICLEKVPEWNHFTEDNLRVKQIL---LT-NQLFEVGLKEETANNYNSIRTRVLFRIYGKHVDELY-NTISEFEVYKTMSKYKIAPQLLNTFN--GGRIEEWLYGDPLRIDDLKNPTILIGIANVLGKFHTLSRKRHLPEHWDRTPCIFKMMEKWKNQLFKYKNIEKYNCDIHKYIKESDKFIKFMKVYSKSDNLANTIVFCHNDLQENNIINTN-KCLRLIDFEYSGFNFLATDIANFFIETSIDYSVSSYPFFEIDKKKYISYENRKLFITAYLSNYLDKVVPTPKLIDEILEAVEVQALGAHLLWGFWSIIRGYQTKSYNEFDFFLYAEQRLKMYDD--

General information: TITO was launched using: RESULT: Template: 3C5I.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain D - contact count / total energy / energy per contact / energy per residue : 1104 -23756 -21.52 -85.15 target 2D structure prediction score : 0.62 Monomeric hydrophicity matching model chain D : 0.62 3D Compatibility (PKB) : -21.52 2D Compatibility (Sec. Struct. Predict.) : 0.62 1D Compatibility (Hydrophobicity) : 0.62 QMean score : 0.240

(partial model without unconserved sides chains): PDB file : Tito_3C5I.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3c5i-query.scw PDB file : Tito_Scwrl_3C5I.pdb: