Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence --------MDKTSLIGIILAFVALSVGMVLKGV-------------SFSALANPAAILI---IIAGTISAV------VIAFPTKEIKKVPTLFRVLFKENKQLT-----IEEL---IPMFSEWA-----QLARREGLLALEASI---------EDVDDAFLKNGLSMAVDGQSAEFIRDIMTEE---VEAMEDRHQAGAAIF-TQAGTYAPTLGVLGAVIGLIAALSHMDNTDELGHAISA-----AFVATLLGIFTG--YVLW--HPF-------------------ANKLKRKSKQEVKLR--EVMIEGVLS-------VLEGQAPKVIEQKLLMYLPAKDRLKFAEQGEAQNGEKKEEEA---------------------------- 4NZR Chain:M ((26-416)) NDGSYQSEIDLSGGANFREKFRNFANELSEAITNSPKGLDRPVPKTEISGLIKTGDNFITPSFKAGYYDHVASDGSLLSYYQSTEYFNNRVLMPILQTTNGTLMANNRGYDDVFRQVPSFSGWSNTKATTVSTSNNLTYDKWTYFAAKGSPLYDSYPNHFFEDVKTLAIDAKDISALKTTIDSEKPTYLIIRGLSGNGSQLNELQLPESVKKVSLYGDYTGVNVAKQIFANVVELEFYSTSKANSFGFNPLVLGSKTNVIYDLFASKPFTHIDLTQVTLQNSDNSAIDANKLKQAVGDIYNYRRFERQFQGYFAGGYIDKYLVKNVNTNKDSDDDLVYRSLKELNLHLEEAYREGDNTYYRVNENYYPGASIYENERASRDSEFQNEILKR

General information: TITO was launched using: RESULT: Template: 4NZR.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain M - contact count / total energy / energy per contact / energy per residue : 1143 -77103 -67.46 -285.56 target 2D structure prediction score : 0.35 Monomeric hydrophicity matching model chain M : 0.66 3D Compatibility (PKB) : -67.46 2D Compatibility (Sec. Struct. Predict.) : 0.35 1D Compatibility (Hydrophobicity) : 0.66 QMean score : 0.071

(partial model without unconserved sides chains): PDB file : Tito_4NZR.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4NZR-query.scw PDB file : Tito_Scwrl_4NZR.pdb: