Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MLFYKNILTLSILAAISIPVFAAENENVEKLETIRIKAHPLEQT----SKDFAVADTVVDQKHLTEGAATIGDALNSEVGIYANQFGAGSSRPVIRGQDGPRVKVLQNSSENVDVSTLSPDHAVTVDPVLAKQVEVIRGPSTLLFGAGTVGGLVNVIDNKIPTQIPENGYEGQVGLRYNTGSDEKLASAGVTVGLGSQVALRIEGLTRDANNYIAPNYIHEGEKERRVDNTFAQGDSVNVGLSWVYDRGYTGISYSNRRDQYGLPGHSHEYETCHIHDLSLHCGD------HDH-------------EGHSDEEAHDHEHEHGGPWIDLKSERYDFKTELNDPFAGFQKLRAQASYTDYQHDEIEEGTIATRFQNKGYDGRIELVHNPIADWEGVIGTQLGQQKLNLTGE------EAFMAPTTTKKWSVFALEHKQWKDVHFELSARADQQEIDVDDN---------------SKQDFDGSAFSYAGAANWEFAPNYKLSFVASHQERLPLAQELYANGGHFATNTYELGNDQLSKEKSNNVELGLHFDNDKLDYHLHVYHNWFDDYIYAQTLDRYKD---------FRLVQYTQDKARFYGAEGEIGYQITPMYKISAFGDYVRGKIDA--------------------EGNAPRIPAGRLGTKVDADFGDGFSGSAEYYHVFNQDKIAAYETETEGYNMLNLGVAYSGQYGAKTDYRVYLKANNLLDDTVYQHASFLSNIPQVGRNFTVGVDFSF 4RDR Chain:A ((32-748)) ---------------------------------------SRPRATSGLLHTSTASDKIISGDTLRQKAVNLGDALDGVPGIHASQYGGGASAPVIRGQTGRRIKVLNHHGETGDMADFSPDHAIMVDTALSQQVEILRGPVTLLYSSGNVAGLVDVADGKIPEKMPENGVSGELGLRLSSGNLEKLTSGGINIGLGKNFVLHTEGLYRKSGDYAVPRYRN----LKRLPDSHADSQTGSIGLSWVGEKGFIGVAYSDRRDQYGLPAHSHEYDDCHA---DIIWQKSLINKRYLQLYPHLLTEEDIDYDNPGLSCG-----HSGRPWIDLRNKRYELRAEWKQPFPGFEALRVHLNRNDYRHDEKAGDAVENFFNNQTQNARIELRHQPIGRLKGSWGVQYLQQKSSALSAISEAVKQPMLLDNKVQHYSFFGVEQANWDNFTLEGGVRVEKQKASIQYDKALIDRENYYNHPLPDLGAHRQTARSFALSGNWYFTPQHKLSLTASHQERLPSTQELYAHGKHVATNTFEVGNKHLNKERSNNIELALGYEGDRWQYNLALYRNRFGNYIYAQTLNDGRGPKSIEDDSEMKLVRYNQSGADFYGAEGEIYFKPTPRYRIGVSGDYVRGRLKNLPSLPGREDAYGNRPFIAQDDQNAPRVPAARLGFHLKASLTDRIDANLDYYRVFAQNKLARYETRTPGHHMLNLGANYRRNTR-YGEWNWYVKADNLLNQSVYAHSSFLSDTPQMGRSFTGGVNVKF

General information: TITO was launched using: RESULT: Template: 4RDR.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 : 3864 180525 46.72 285.19 target 2D structure prediction score : 0.42 Monomeric hydrophicity matching model chain A : 0.80 3D Compatibility (PKB) : 46.72 2D Compatibility (Sec. Struct. Predict.) : 0.42 1D Compatibility (Hydrophobicity) : 0.80 QMean score : 0.200

(partial model without unconserved sides chains): PDB file : Tito_4RDR.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4RDR-query.scw PDB file : Tito_Scwrl_4RDR.pdb: