Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence ------------------------------------------------------------------------MNHVMCVMSYSLKMVLNHEEDTQRLAQALAQHVQAGVIYLIGDLGAGKTTLTRYFLQALGHKGSVKSPTYTLVEPYKINNKE--IFHFD-------LYRLNDPYELELM---GIRDYLDIQDALFLFEWPSKGGDEIPEADIVIDIQKSDDELNRFVTLTLP---TEHLYQTLQEQLHD----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- 3M6A Chain:A ((7-531)) TGEVQTLTEKIEEAGMPDHVKETALKELNRYEKIPSSSAESSVIRNYIDWLVALPWTDETDDKLDLKEAGRLLDEEHHGLEKVKERILEYLAVQKLT-----KSLKGPILCLAGPPGVGKTSLAKSIAKSLGRKFVRISLGGRIIQGMKKAGKLNPVFLLDEIDKMSAMLEVLDPEQNSSFSDHYIEETFDLSKVLFIAT--ANNLATIP-----------GPLRDRMEIINIAGYTEIEKLEIVKDHLLPKQIKEHGLKKSNLQLRDQAILDIIRYYTREAGVRSLERQLAAICRKAAKAIVAEERKRITVTEKNLQDFIGKRIFRYGQAETEDQVGVVTGLAYTTVGGDTLSIEVSLSPGKGKLILTGKLGDVMRESAQAAFSYVRSKTEELGIEPDFHEKYDIHIHVPEGAVPKDGPAAGITMATALVSALTGRAVSREVGMTGEITLRGRVLPIGGLKEKALGAHRAGLTTIIAPKDNEKDIEDIPESVREGLTFILASHLDEVLEHALV

General information: TITO was launched using: RESULT: Template: 3M6A.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 : 339 7700 22.71 52.74 target 2D structure prediction score : 0.58 Monomeric hydrophicity matching model chain A : 0.58 3D Compatibility (PKB) : 22.71 2D Compatibility (Sec. Struct. Predict.) : 0.58 1D Compatibility (Hydrophobicity) : 0.58 QMean score : 0.459

(partial model without unconserved sides chains): PDB file : Tito_3M6A.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3M6A-query.scw PDB file : Tito_Scwrl_3M6A.pdb: