Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MEKLYDVIVVGAGTSGMMAAISAAEQGARVLLIEKNKKAGKKLLMTGGGRCNVTNNRPVDDLIAHIPGNGKFLYSTFAQWNNFDIMNFFESQGVHLKEEDHGRMFPVTNKSKTIIEALLNRLKELDVTLLFSTRVEKLIHKEHKIYGIRTEFEEFHAPAIILTTGGRTYPSTGSTGDGYKIVKRVGHTVTPLYATESPLISDEPYIQEKTLQGLSLQDITLRVLNKKGRVLTEHTMDLLFTHFGISGPAALRCSSFVNKELEKTGEPVTLSLDCFPTQTKQELIHILTEKSKATKKNLVNAWHGILPERLLVFFL----ERLEMDHLTGQQASQKQIQDFVQLCKEFKLSINKTFPIEKSFVTGGGVSLKEIYPKTLESKIIDGLYFAGELLDVNGYTGGFNITAAFATGHVAGMNAGQRA 4CNK Chain:B ((4-386)) ----FDTIIIGGGPAGMMATISSSFYGQKTLLLEKNKRLGKKLAGTGGGRCNVTNNGNLDDLMAGIPGNGRFLYSVFSQFDNHDIINFFTENGVKLKVEDHGRVFPVTDKSRTIIEALEKKIAELGGTVITNTEIVS-VKKTDELFTVRSSDQAWTCQKLIVTTGGKSYPSTGSTGFGHDIARHFKHTVTDLEAAESPLLTDFPH---KALQGISLDDVTLSY----GKHIITH--DLLFTHFGLSGPAALRLSSFV-----KGGE--TIYLDVLPQMSQQDLADFLEEHR---EKSLKNCLKILLPERIADFFTQPFPEKVKQLNLSEKEALIKQI-------KELPISVTGKMSLAKSFVTKGGVSLKEINPKTLESKLVPGLHFAGEVLDINAHTGGFNITSALCTGWVAG-------

General information: TITO was launched using: RESULT: Template: 4CNK.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 2260 -174405 -77.17 -460.17 target 2D structure prediction score : 0.55 Monomeric hydrophicity matching model chain B : 0.84 3D Compatibility (PKB) : -77.17 2D Compatibility (Sec. Struct. Predict.) : 0.55 1D Compatibility (Hydrophobicity) : 0.84 QMean score : 0.439

(partial model without unconserved sides chains): PDB file : Tito_4CNK.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4CNK-query.scw PDB file : Tito_Scwrl_4CNK.pdb: