Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTTNFWKELPKPFFVLAPMEDVTDVVFRHVVKHAAAPDVFFTEFTNS----------DSFCHPDGKDSVRGRLTFTEDEQPMVAHIWGDKPEFFREMSIAMAEMGFQGIDINMGCPVPNVAERGKGSGLILRPEV---AAQLIEAAKAGGLPVSVKTRIGYTEMSEMEEWISHLLHQDIANLSVHLRTRKEMSKVD-AHWEVIPKIIALRDQIAPQTLITINGDIPDRQTGEELAEKYGVDGIMIGRGIFKNPYAFEKDPREHTEKELIGLLRLQLDLQDHYSEIIPRSITGLHRFFKIYIKGFPGANDLRVQLMNTKSTDEVREILETFEKEHPTLFSEQ 4YCP Chain:A ((9-237)) -------------VLLAPMEGVLDSLVRELLTEVNDYDLCITEFVRVVDQLLPVKVFHRIC-PELQNASR-----TPSGTLVRVQLLGQFPQWLAENAARAVELGSWGVDLNCGAP-------GGGATLLKDPELIYQGAKAMREAVPAHLPVSVKVRLGWDSGEKKFEIADAVQQAGATELVVHGRTKEQGYRAEHIDWQAIGDI---RQRL--NIPVIANGEIWDWQSAQQCMAISGCDAVMIGRGALNIP----------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4YCP.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 : 1169 -1146 -0.98 -5.51 target 2D structure prediction score : 0.70 Monomeric hydrophicity matching model chain A : 0.69 3D Compatibility (PKB) : -0.98 2D Compatibility (Sec. Struct. Predict.) : 0.70 1D Compatibility (Hydrophobicity) : 0.69 QMean score : 0.486

(partial model without unconserved sides chains): PDB file : Tito_4YCP.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4YCP-query.scw PDB file : Tito_Scwrl_4YCP.pdb: