Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence ----------------------------------------------------------MGVVGKQSSSFSLLFWLFSLSSGKVTCFKSGSLGNSSNILPKLSHFVNFTAIGVPRF------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------ 4S3Q Chain:A ((2-691)) ESKRLDNAALAAGISPNYINAHGKPQSISAETKRRLLDAMHQTPVPNVMVYTSGKKMPMVVEGSGEYSWLLTTEEGTQYKGHVTGGKAFNLPTK---LPEGYHTLTLTQDDQRAHCRVIVAPKRCYEPQALLNKQKLWGACVQLYTLRSEKNWGIGDFGDLKAMLVDVAKRGGSFIGLNPIHALYPANPESASPYSPSSRRWLNVIYIDVNAVEDFHLSEEAQAWWQLPTTQQTLQQARDADWVDYSTVTALKMTALRMAWKGFAQRDDEQMAAFRQFVAEQGDSLFWQAAFDALHAQQVKEDEMRWGWPAWPEMYQNVDSPEVRQFCEEHRDDVDFYLWLQWLAYSQFAACWEISQGYEMPIGLYRDLAVGVAEGGAETWCDRELYCLKASVGAPPDILGPLGQNWGLPPMDPHIITARAYEPFIELLRANMQNCGALRIDHVMSMLRLWWIPYGETADQGAYVHYPVDDLLSILALESKRHRCMVIGEDLGTVPVEIVGKLRSSGVYSYKVLYFENDHEKTFRAPKAYPEQSMAVAATHDLPTLRGYWECGDLTLGKTLGLYPDEVVLRGLYQDRELAKQGLLDALHKYGCLPKRAGHKASLMSMTPTLNRGLQRYIADSNSALLGLQPEDWLDMAEPVNIPGTSYQYKNWRRKLSATLESMFADDGVNKLLKDLDRRRRSAH

General information: TITO was launched using: RESULT: Template: 4S3Q.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 : 76 -1061 -13.95 -19.64 target 2D structure prediction score : 0.39 Monomeric hydrophicity matching model chain A : 0.51 3D Compatibility (PKB) : -13.95 2D Compatibility (Sec. Struct. Predict.) : 0.39 1D Compatibility (Hydrophobicity) : 0.51 QMean score : 0.308

(partial model without unconserved sides chains): PDB file : Tito_4S3Q.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4S3Q-query.scw PDB file : Tito_Scwrl_4S3Q.pdb: