Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSQSIKLFSVLSDQFQNNPYAYFSQLREEDPVHYEESIDSYFISRYHDVRYILQHPDIFTTKSLV--ERA------EPVMRGPVLAQMHGKEHSAKRRIVVRSFIGDALDHLSPLIKQNAENLLAPYLERGKSDLVNDFGKTFAVCVTMDMLGLDKRDHEKISEWHSGVADFITSISQSPEARAHSLWCSEQLSQYLMPVIKERRVNPGSDLISILCTSEYEGMALSDKDILALILNVLLAATEPADKTLALMIYHLLNNPEQMNDVLADRSLVPRAIAETLRYKPPVQLIPRQLSQDTVVGGMEIKKDTIVFCMIGAANRDPEAFEQPDVFNIHREDLGIKSAFSGAARHLAFGSGIHNCVGAAFAKNEIEIVANIVLDKMRNIRLEEDF--CYAESGLYTRGPVSLLVAFDGA 3BUJ Chain:A ((3-395)) ------AFDPTDADVRRDPYPSYHWLLRHDPVHRGA-HRVWYVSRFADVRAVLGDER-FARTGIRRFWTDLVGPGLLAEIVGDIILFQDEPDHGRLRGVVGPAFSPSALRRLEPVIAGTVDDLLRPALARGAMDVVDELAYPLALRAVLGLLGLPAADWGAVGRWSRDVGRTLDRGAS-AEDMRRGHAAIAEFADYVERALARRRREGGEDLLALMLDAHD-RGLMSRNEIVSTVVTFIFTGHETVASQVGNAVLSLLAHPDQLDLLRRRPDLLAQAVEECLRYDPSVQSNTRQLDVDVELRGRRLRRDDVVVVLAGAANRDPRRYDRPDDFDIERDP----------VPSMSFGAGMRYCLGSYLARTQLRAAVAALARLP-GLRLGCASDALAYQPRTMFRGLASLPIAFTP-

General information: TITO was launched using: RESULT: Template: 3BUJ.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 : 1945 -27725 -14.25 -72.39 target 2D structure prediction score : 0.59 Monomeric hydrophicity matching model chain A : 0.74 3D Compatibility (PKB) : -14.25 2D Compatibility (Sec. Struct. Predict.) : 0.59 1D Compatibility (Hydrophobicity) : 0.74 QMean score : 0.419

(partial model without unconserved sides chains): PDB file : Tito_3BUJ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3BUJ-query.scw PDB file : Tito_Scwrl_3BUJ.pdb: