Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTITPKPDSVVYRVRVAVPVHLYDTFDYTLTKAQYERAQVGSRVAISFGRQNLIGIITEKVDPQESFTGNFQLKAISELLDDEPILDEQVLNLLTWSAQYYQFPIGEVMQTALPALLRQGKPMDVLFHLWKIIPCDNAEALLKRSIKQQDAYQILKLHPAGTTENILNLSGVETATLKALQKKGLVDCTLEPHDFSPAPVQLAQMPLTLNEDQKKATQHVLNAQHQYQAFLLDGLTGSGKTEVYLHIMHEVLKQ---GKQVLVLVPEIGLTPQTISRFKSRFN----CDIALLHSGLNDSKRLQAWQQAQTGKASIILGTRSAIY-------TPLPRLGLIILDEEHDLSYKQQEGFRYHARDVALYRGHLQGCPVLLGSATPSIDSYHLVET--GKLTALQLNQRAGHA-LLPKMHLIDLKIVKKQHGISQPLIEQIKNTLARKEQVLIFLNRRGYAPVLVCESCGWQANCPHCDAHFTLHTQPYSYLHCHHCGTVHRLPDHCPECQQKSLKTLGAGTAKVEEHLQELFPDHDVIRVDRDSTSRVGSWQKIYDRIQQNKPSILLGTQMLAKGHHFPHVTLVAILDIDAGLLSVDIRAPERTAQLIVQVAGRAGRGEHKGHVYLQTLRPDHPLLTTLIEKDYRAVAKQTLAERKVALLPPYRYAVLIRAESKDRDYTLHFLNEAAEQLRQIAGGIVDIWGPIPAPMERKAGRYRAHMVILSADRTRLHFYLRQWWAQLVHAPRQHQLRLSIDVDPQEFS 5SUP Chain:A ((27-357)) ---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------EHPSEVQQHTIPQSI---HGTDVLCQAKSGLGKTAVFVLSTLQQLDPVPGEVAVVVICNARELAYQIRNEYLRFSKYMPDVKTAVFYGGTPISKDAELLKN-KDTAPHIVVATPGRLKALVREKYIDLSHVKNFVIDECDKVLEE--LDMRRDVQEIFRATPR--DKQVMMFSATLSQEIRPICRRFLQNPLEIFVDDEAKLTLHGLQQYYIKLEE----REKNRKLAQLLDDL--EFNQVIIFVKSTTRA-------------------------------------------------------------NELTKLLNAS--NFPAITVHGHMKQE--ERIARYKAFKDFEKRICVSTDVFGRGIDIERINLAINYDLTNEA------------DQYLHRVGRAGRFGTKGLAISFVSSK----------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 5SUP.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 : 1628 17670 10.85 56.27 target 2D structure prediction score : 0.67 Monomeric hydrophicity matching model chain A : 0.58 3D Compatibility (PKB) : 10.85 2D Compatibility (Sec. Struct. Predict.) : 0.67 1D Compatibility (Hydrophobicity) : 0.58 QMean score : 0.430

(partial model without unconserved sides chains): PDB file : Tito_5SUP.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5SUP-query.scw PDB file : Tito_Scwrl_5SUP.pdb: