Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSKHVHIQLPDGQIQEYPKGITIKEAAGSISSSLQKKAAAGQVNGKLVDLSFKLEEDAELSIVTLDSQEGLQVLRHTTAHVLAQAVKRLYGEVSLGVGPVILDGFYYDMKLGKSLASGDLEAIEKEMKNIINENLEIKRIEVSYEEAEELFAQKDERLKLEILKDIPRGEDITLYQQGEFVDLCRGPHLPSTGMIKAFKLTRVSGAYWRGDSKNEVLQRVYGVAFQKKKDLDAHLHMLEEAAKRDHRKLGKQLGLFMFSE-EAPGMPFYLPKGQIVRNELERFSRELQTNAGYDEVRTPFMMNQRLWEQSGHWDHYRDNMYFS-EVDDTR-FAMKPMNCPGHMLIFKNSLYSYRDLPIRMAEFGQVHRHEYSGALNGMLRVRTFCQDDAHIFVREDQIESEIKEAIRLIDEVYRTFGFE-YSVELSTR-PEDS---LGDDSLWEASERALARVLEELGLSYEINEGDGAFYGPKIDFHIKDALKRSHQCATIQLDFQMPEKFDLTYINELNEKVRPVVIHRAVFGSIDRFFGILIEHYGGAFPVWLAPIQVQIIPVS-HVHLDYCRKVQAELKQAGIRAGIDERNEKLGYKIRESQVQKIPYVLVLGDHEEQENAVNVRRFGHQQNEHVPFQTFKDKLVKQVENRGM 1NYR Chain:A ((4-639)) ----INIQFPDGNKKAFDKGTTTEDIAQSISPGLRKKAVAGKFNGQLVDLTKPLETDGSIEIVTPGSEEALEVLRHSTAHLMAHAIKRLYGNVKFGVGPVIEGGFYYDFDIDQNISSDDFEQIEKTMKQIVNENMKIERKVVSRDEAKELFS--NDEYKLELIDAIPEDENVTLYSQGDFTDLCRGVHVPSTAKIKEFKLLSTAGAYWRGDSNNKMLQRIYGTAFFDKKELKAHLQMLEERKERDHRKIGKELELFTNSQLVGAGLPLWLPNGATIRREIERYIVDKEVSMGYDHVYTPVLANVDLYKTSGHWDHYQEDMFPPMQLDETESMVLRPMNCPHHMMIYANKPHSYRELPIRIAELGTMHRYEASGAVSGLQRVRGMTLNDSHIFVRPDQIKEEFKRVVNMIIDVYKDFGFEDYSFRLSYRDPEDKEKYFDDDDMWNKAENMLKEAADELGLSYEEAIGEAAFYGPKLDVQVKTAMGKEETLSTAQLDFLLPERFDLTYIGQDGEHHRPVVIHRGVVSTMERFVAFLTEETKGAFPTWLAPKQVQIIPVNVDLHYDYARQLQDELKSQGVRVSIDDRNEKMGYKIREAQMQKIPYQIVVGDKEVENNQVNVRQYGSQDQETVEKDEFIWNLVDEI-----

General information: TITO was launched using: RESULT: Template: 1NYR.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 : 3191 -48255 -15.12 -76.96 target 2D structure prediction score : 0.61 Monomeric hydrophicity matching model chain A : 0.87 3D Compatibility (PKB) : -15.12 2D Compatibility (Sec. Struct. Predict.) : 0.61 1D Compatibility (Hydrophobicity) : 0.87 QMean score : 0.513

(partial model without unconserved sides chains): PDB file : Tito_1NYR.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1NYR-query.scw PDB file : Tito_Scwrl_1NYR.pdb: