Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSINFSNLSKNINFINFSKISRGNNKELKYIVKDSEMNRYLFKINSIIH-LDNKVNEFRFAKRIEHL-PFEKSEIVDLCVFNQNRYICSIYKWIDGKILEDQI-KNYPSNKQYSFGFKAGRSLKLIHDLPIRDEE-----LKQVEELPVRKIIEYYHQ---NKRFENDNIIIDFILKNNS--KIKDEKICFLHGHYSIKNFIIKN----NDEISLIDYNQCYFGDYVQDFSKNEIYNSYYSEQFAQGIIDGYFYNRKIPDTFWLKYAYYAAYNCITLFLWASKQEVISTKIKIKEMIQNVLNQFNNFESIIPNWYKKNVLSKERQKFINSPYTLEKILGTPKKENKNDSKIKYFDEMYDDNDDDLLDEKMMDSFKEFLKNVAKK 3TDW Chain:A ((20-303)) ------------SIQSVESLGEGF-RNYAILV---NG-DWVFRFPKSQQGADELNKEIQLLPLLVGCVKVNIPQYVYIGKR-SDGNPFVGYRKVQGQILGEDGMAVLPDDAKDRLALQLAEFMNELSAFPVETAISAGVPVTNLKNKILLLSEAVEDQVFPLLDESLRDYLTLRFQSYMTHPVYTRYTPRLIHGDLSPDHFLTNLNSRQTPLTGIIDFGDAAISDPDYDYVYLLEDCG---E-LFTRQVMAYRGEVD-LDTHIRKVSLFVTFDQVSYLLEGLRARDQDWISEGLELLEEDKANNFGA-----------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3TDW.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 : 1188 12755 10.74 47.77 target 2D structure prediction score : 0.55 Monomeric hydrophicity matching model chain A : 0.63 3D Compatibility (PKB) : 10.74 2D Compatibility (Sec. Struct. Predict.) : 0.55 1D Compatibility (Hydrophobicity) : 0.63 QMean score : 0.236

(partial model without unconserved sides chains): PDB file : Tito_3TDW.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3tdw-query.scw PDB file : Tito_Scwrl_3TDW.pdb: