Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence -----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------MTSSYRQQLQAKIDRITTQFSEFTPPTLEVFESPEQHFRMRAEFRIWHTENDMFYAMFERNDDGKQKTVVRIDEFPIADKSINDLMPLLLAELKANSLLSQRLFEVDFLATLSGEMLVTLIYHRKLNQEWEQAAKALAEKLNI---KIMGRSRGQKIVIGDDFVVEEFELLNRSFKYKQIESSFTQPNAQVCKKMLQWACDAAEGSKKHLLELYCGNGNFTLPLSLK-FERVLATELAKSSVYAAQWNIEQNQIDNIQVARLSAEEFTQAYQGEREFRRLQEADIDIQSYDFGTVFVDPPRAG---IDDETLKLLQGFERIIY------ISCNPDTLYENLKTLT----QTHRVTKFALFDQFPYTHHVESGVLLEKI 3V97 Chain:A ((1-703)) AMNSLFASTARGLEELLKTELENLGAVECQVVQGGVHFKGDTRLVYQSLMWSRLASRIMLPLGECKVYSDLDLYLGVQAINWTEMFNPGATFAVHFSGLNDTIRNSQYGAMKVKDAIVDAFTRKNLPRPNVDRDAPDIRVNVWLHKETASIALDLSGDGLHLRGYRDRAGIAPIKETLAAAIVMRSGWQPGTPLLDPMCGSGTLLIEAAMLATDRAPGLHRGRWGFSGWAQHDEAIWQEVKAEAQTRARKGLAEYSSHFYGSDSDARVIQRARTNARLAGIGELITFEVKDVAQLTNPLPKGPYGTVLSNPPYGESEPALIALHSLLGRIMKNQFGGWNLSLFSASPDLLSCLQLRADKQYKAKNGP----LDCVQKNYHVAESMVAEDYTNRLRKNLKKFEKWARQEGI--------------ECYRLYDADLPEYNVAVDRY----------ADWVVVQEYAHKARQRLFDIIAATISVLGIAPNKLVLKTREEK---GEFLEVTEYNAHLWVNLTDYLDTGLFLDHRIARRMLGQMS------KGKDFLNLFSYTGSATVHAGLGGARSTTTVDMSRTYLEWAERNLRLNGLTG---------------RAHRLIQADCLAWLREANEQFDLIFIDPPTFSAFDVQRDHLALMKDLKRLLRAGGTIMFSNNKRGFRMDLDGLAKLGLKAQEITQKTLSQDFARNRQIHNCWLITAA

General information: TITO was launched using: RESULT: Template: 3V97.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 : 1664 38333 23.04 124.06 target 2D structure prediction score : 0.38 Monomeric hydrophicity matching model chain A : 0.59 3D Compatibility (PKB) : 23.04 2D Compatibility (Sec. Struct. Predict.) : 0.38 1D Compatibility (Hydrophobicity) : 0.59 QMean score : 0.156

(partial model without unconserved sides chains): PDB file : Tito_3V97.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3V97-query.scw PDB file : Tito_Scwrl_3V97.pdb: