Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MLFYKNILTLSILAAISIPVFAAENENVEKLETIRIKAHPLEQTSKDFAVADTVVDQKHLTEGAAT-IGDALNSEVGIYANQFG-AGSSRPVIRG-QDGPRVKVLQNSSENVDVSTLSPDHA--VTVDPVLAKQVEVIRGPSTLLFGAGTVGGLVNVIDNKIPTQIPENGYEGQVGLRYNTGSDEKLASAGVTVGLGSQVALRIEGLTRDANNYIAPNYIHEGEKERRVDNTFAQGDSVNVGLSWVYDRGYTGISYSNRRDQYGLPGHSHEYETCHIHDLSLHCGDHDHEGHSDEEAHDHEHEHGGPWIDLKSERYDFKTELNDPFAGFQKLRAQASYTDYQHDEIE-----------EGTIATRFQNKGYDGRIELVHNPIADWEGVIGTQLGQQKLNLT----GEEAFMAPTTTKKWSVFALEHKQWKD-VHFELSARADQQEI----------------------------------DVDDNSKQDFDGSAFSYAGAANWEFAPNYKLSFVASHQE-RLPLAQELYANGGHFATNTYELGNDQLSKEKSNNVELGLHFDN-------DKLDYHLHVYHNWFDDYIYAQTL------DRYKDFRLVQY-TQDKARFYGAEGEIGYQITPMYKISAFGDYVRG----------------------------KIDAE------------GNAPRIPAGRLGTKVDADFGDGFSGSAEYYHVFNQDKIAAYET------ETEGYNMLNLGVAYSGQYGAKTDYRVYLKANNLLDDTVYQHAS-FLSNIPQVGRNFTVGVDFSF 3CSL Chain:A ((113-865)) -----------------------------------------NDWVYDEPRSVSVISREQMDNRPARHAADILEQTTGAYSSVSQQDPALSVNIRGIQDYGRVNMNIDGMRQNFQKSGHGQRNGTMYIDSELLSGVTIDKGTTGGMGSAGTLGGIATFNTVSASDFLAPGKELGGKLHASTGDNGTHFIGSGILALGNETGDILLAASERHLGDYWPGNKGDIGNIRINNDTGNYDRYAESIKNNKIPDTHYRMHSRLAKVGWNLPANQRLQLSYLQTQTASPIAGTLTNLGTRPPYELGWKRTG---YTDVMARNAAFDYSLAPEDVDWLDFQAKLYYVDTQDDSDTYSTSSLLDNGYATRTRLRTYGAQAQNTSRFSLAPGHDFRANYGLEFYYDKATSDSSRQGMEGVTPAGNRSVASLFANLTYDYDGWLTLEGGLRYDRYRLRGQTGLSYPDLAKDGQRYTIDNPCKALRLTGCSTTTREDWDVDRDQGKLSPTLAVAVRPGVEWLELYTTYGKSWRPPAITETLTNGSAHSSSTQYP-NPFLQPERSRAWEVGFNVQQPDLWFEGDRLVAKVAYFDTKVDNYINLAIDRNKPGLVQPSIGNAAYVNNLSKTRFRGLEYQLNYDAGVFYADLTYTHMIGKNEFCSNKAWLGGRLRYGDGSRRGNFYVEPDAASNDFVTCDGGTQFGSAAYLPGDRGSVTLGGRAFDRKLDAGVTVRFAPGYQDSSVPSNYPYLADWPKYTLFDLYASYKLTDSLTLRGSVE----NLTNRAYVVSYGETLANTLGRGRTVQGGVEYRF

General information: TITO was launched using: RESULT: Template: 3CSL.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 : 3739 130642 34.94 205.41 target 2D structure prediction score : 0.44 Monomeric hydrophicity matching model chain A : 0.64 3D Compatibility (PKB) : 34.94 2D Compatibility (Sec. Struct. Predict.) : 0.44 1D Compatibility (Hydrophobicity) : 0.64 QMean score : 0.122

(partial model without unconserved sides chains): PDB file : Tito_3CSL.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3CSL-query.scw PDB file : Tito_Scwrl_3CSL.pdb: