Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MRKKELFDFTNITPKLFTELRVADKTVLQSFNFDEKNHQIYTTQ-VASGLGKDNTQSYRITRLSLEGLQLDSMLLKHGGH--GTNIGIENRNGTIYIWSLYDKPNET------DKSELVC-FPYKAG-ATLDENSKELQRFSNMPFDHRVTPALDMKNRQLAIRQYDTKNNNNKQWVTI-FNLDDAIANKNNPLYTINIPDELHYLQGFFLDDGYLYWYTGDTNSKSYPNLITVFDSDNKIVLQKEITVGKDLSTRYENNFREPEGICMYTNPETGAKSLMVGITSGKEGNRISRIYAYH-SYENFMNHVPMLRSPLLKTVGHQDTPPERFQPFIQTFILEYNAQNKKWMVP-TSGYLPSY---TSNLVRNITINADGN-LQVTLNERYISLLHQ-SIEGDFRLKQKDIRMGSWYFAGG---EKSNVLEIGFMKGSTKIRPDDAAISNASRMSIFMIVADKIEV 3BWS Chain:A ((27-433)) --GTEIVKFS-IHPYKGTVIRLGEEIL--PFKVLEMDKNIALVEMAIPVYKDEKEIELKLSS---PGFQNSSYRIRKPEELNEKLIALDKEGITHRFISRFKTGFQPKSVRFIDNTRLAIPLLEDEGMDVLDINSGQTVRLS----------PPEKYKKKLGFVETISIPEHNELWVSQMQANAVHVFDLKTLAYKATVDLTGKWSKILLYDPIRDLVYCSNWISE----DISVIDRKTKLEIRKTDKIG------------LPRGLLL---SKDGKELYIAQFSASNQESGGGRLGIYSMDKEKLIDTIG--------------------PPGNKRHIVSGNTENKIYVSDMCCSKIEVYDLKEKKVQKSIPVFDKPNTIALSPDGKYLYVSCRGPNHPTEGYLKKGLVLGKVYVIDTTTDTVKEFWEAGNQPTGLDVSPDNRYLVISDFLDHQIRVYRRDGF

General information: TITO was launched using: RESULT: Template: 3BWS.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 : 2233 50075 22.42 130.06 target 2D structure prediction score : 0.45 Monomeric hydrophicity matching model chain A : 0.68 3D Compatibility (PKB) : 22.42 2D Compatibility (Sec. Struct. Predict.) : 0.45 1D Compatibility (Hydrophobicity) : 0.68 QMean score : 0.231

(partial model without unconserved sides chains): PDB file : Tito_3BWS.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3BWS-query.scw PDB file : Tito_Scwrl_3BWS.pdb: