Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MEHTWKIGNVEIPNRVVVAPMAGITNSAFRVTVKEFG-AGLVVCEMIS--DQGIHFR--NKKTLEMLHIEETEHP--LSLQIFGGNKDSLVE-AAQFVEENTAADIIDINMGCPVNKVIKAEAGAKWLLDPEKVYEMVQAVSSAV--NIPVTIKMRIGWDE-EHVFAVENALAAQSAGASAIAMHGRTRVQMYEGK-ADWEVLKEVKKHLTIPFMGNGDVKTPEDAKWMLDYVGADGVMIGRAALGNPWMIHRTQHYLETGELIPEPTPAEKIATAKLHLQRLADLKGEKVACREFRTHAAYYLKGIPRAAKVKVAINQTEKQQEINDLLDQFVEKAEKVLLKQTL 4YCP Chain:A ((8-237)) --------------RVLLAPMEGVLDSLVRELLTEVNDYDLCITEFVRVVDQLLPVKVFHRICPELQNASRTPSGTLVRVQLLGQFPQWLAENAARAVELGSWG--VDLNCGAP-------GGGATLLKDPELIYQGAKAMREAVPAHLPVSVKVRLGWDSGEKKFEIADAV--QQAGATELVVHGRTKEQGYRAEHIDWQAIGDIRQRLNIPVIANGEIWDWQSAQQCMAISGCDAVMIGRGALNIP--------------------------------------------------------------------------------------------------

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 : 1196 20282 16.96 96.12 target 2D structure prediction score : 0.73 Monomeric hydrophicity matching model chain A : 0.71 3D Compatibility (PKB) : 16.96 2D Compatibility (Sec. Struct. Predict.) : 0.73 1D Compatibility (Hydrophobicity) : 0.71 QMean score : 0.545

(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: