Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSINFSNLSKNINFINFSKISRGNNKELKYIVKDSEMNRYLFKINSIIHLDNKVNEFRFAKRIEHLPFEKSEIVDLCVFNQNRYICSIYKWIDG-KILEDQIKNYPSNKQYSFGFKAGRSLKLIHDLPIRDEELKQVEELPVRKIIEYYHQNKRF----ENDNIIIDFILKNNSKIKDEKI----------CFLHGHYSIKNFIIKNNDEISLIDYNQCYFGDYVQDF-SKNEIYNSYYSEQFAQGIIDGYFYNRKIPDTFWLKYAYYAAYNCITLFLWASKQEVISTKIK-IKEMIQNVLNQFNNFESIIPNWYKKNVLSKERQKFINSPYTLEKILGTPKKENKNDSKIKYFDEMYDDNDDDLLDEKMMDSFKEFLKNVAKK 4DCA Chain:A ((97-318)) -----------------------------------------------------------------------------VYQSDRF--NIMKYIKGERITYEQYHKLSEKEKDALAYDEATFLKELHSIEI-DCSVSLFSDALVNKKDKFLQDKKLLISILEKEQLLTDEMLEHIETIYENILSNAVLFKYTPCLVHNDFSANNMIFRNNRLFGVIDFGDFNVGDPDNDFLCLLDCSTDDFGKEFGRKVLK--YYQHKAPEVAERKAELNDVYWSIDQIIYGYERKDREMLIKDVSELLQTQAEMF--------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4DCA.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 : 732 24849 33.95 121.21 target 2D structure prediction score : 0.44 Monomeric hydrophicity matching model chain A : 0.66 3D Compatibility (PKB) : 33.95 2D Compatibility (Sec. Struct. Predict.) : 0.44 1D Compatibility (Hydrophobicity) : 0.66 QMean score : 0.156

(partial model without unconserved sides chains): PDB file : Tito_4DCA.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4dca-query.scw PDB file : Tito_Scwrl_4DCA.pdb: