Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence ----------------------MSINFSNLSKNINFINFSKISRGNNKELKYIVK-DSEMNRYLFKINSIIHLDNKVNEFRFAKRIEHLPFEKSEIVDLCVFNQNRYICSIYKWIDGKILEDQIKNYPSNKQYSFGFKAGRSLKLIHDLPIRDEELKQVEELPVRKIIEYYHQNKRFENDNIIIDFILKNNSKIKDEKICFLHGHYSIKNFIIKNN-DEISLIDYNQCYFGDYVQDFSKNEIYNSYYSEQFAQGIIDG---YFYNRKIPDTFWLKYAYYAAYNCITLFLWASKQ--EVISTKIKIKEMIQNV-LNQFNNFESIIPNWYKKNVLSKERQKFINSPYT-LEKILGTPKKENKNDSKIKYFDEM--YDDNDDDLLDEKMMDSFKEFLKNVAKK 1LPU Chain:A ((2-328)) SKARVYADVNVLRPKEYWDYEALTVQWGE---QDDYEVVRKVGRG-KYSEVFEGINVNNNEKCIIKILKPVKKKKIKREIKILQNLCGGP-NIVKLLDIVRDQHSKTPSLIFEYVNNTDFKVLYPTLTDYDIRYYIYELLKALDYCHSQG--------------------------------------------------IMHRDVKPHNVMIDHELRKLRLIDWGLAEFYHP----------GKEYNVRVASRYFKGPELLVDLQDYDYS----LDMWSLGCMFAGMIFRKEPFFYGHDNHDQLVKIAKVLGTDGLNV----YLNKYRIELDPQLEALVGRHSRKPWLKFMNADNQHLVSPEAIDFLDKLLRYDHQERLTALEAMTHPYFQQVRAAENS

General information: TITO was launched using: RESULT: Template: 1LPU.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 : 1380 36165 26.21 123.01 target 2D structure prediction score : 0.53 Monomeric hydrophicity matching model chain A : 0.66 3D Compatibility (PKB) : 26.21 2D Compatibility (Sec. Struct. Predict.) : 0.53 1D Compatibility (Hydrophobicity) : 0.66 QMean score : 0.313

(partial model without unconserved sides chains): PDB file : Tito_1LPU.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1lpu-query.scw PDB file : Tito_Scwrl_1LPU.pdb: