Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSFEQKPKVTVILANLGTPDEATVPAVRRFLKQFLSDPRVIEIPKFIWWIILNLFVLPFRPKRAAHAYASVWSTDSPMREIVFEQTQRVQAYLERENKQ-FDLTVLPAMTYGNLGIDAVLEKLSAHPQEHVILLPLFPQYSATSTAPLYDAFAKWIPTQR--NLPGLTIIKDYYQHPMFIQALAESVLAYQEQH----GKPEKLLMSFHGIPQPYADKGDPYADRCRITAKLVAEALHLKDDEWAISFQSRFGKQEWVKPYTDQLLQDWAKQGVKSVQVLSPAFSADCLETLEELAIQNAELFQQAGGG-SYAYIPALNSDQAHIDLLAGLVQANLDALTHTLAHR 3HCN Chain:A ((1-330)) ----RKPKTGILMLNMGGPETL--GDVHDFLLRLFLDRDLMTLPI--QNK-LAPFIAKRRTPKIQEQYRRIG-GGSPIKIWTSKQGEGMVKLLDELSPNTAPHKYYIGFRYVHPLTEEAIEEMERDGLERAIAFTQYPQYSCSTTGSSLNAIYRYYNQVGRKPTMKWSTIDRWPTHHLLIQCFADHILKELDHFPLEKRSEVVILFSAHSLPMSVVNRGDPYPQEVSATVQKVMERLEY-CNPYRLVWQSKVGPMPWLGPQTDESIKGLCERGRKNILLVPIAFTSDHIETLYELDIEYSQVLAKECGVENIRRAESLNGNPLFSKALADLVHSHIQSNEL-----

General information: TITO was launched using: RESULT: Template: 3HCN.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 : 1650 -34775 -21.08 -108.00 target 2D structure prediction score : 0.70 Monomeric hydrophicity matching model chain A : 0.75 3D Compatibility (PKB) : -21.08 2D Compatibility (Sec. Struct. Predict.) : 0.70 1D Compatibility (Hydrophobicity) : 0.75 QMean score : 0.520

(partial model without unconserved sides chains): PDB file : Tito_3HCN.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3HCN-query.scw PDB file : Tito_Scwrl_3HCN.pdb: