Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MQQILEHIVGIANDLLWS---KLLIVLLLSFGIYFTFRLKFLQVRMLKEMVR------VLREGAASRSKNSISPFQAFCISMAARVGTGNITGIAIAIALGGPGAIFWMWII--------AIIGSASSFVESTLAQIYKVKDVNGFRGGP-------AYYMEKGLNKRWMGALFAVLITLSFGIVFNSVQSNTVSLAFEN----AFGTNRLTLGLILIAVFGTIIFGGVKRIAKLAESIVVVL--------------AVLYIGVAFFVIFSNITQLP----GVLALIVK------NAFGFDQAAGGALGAALMQGVRRGIFSNEAGMGSAPNAAATATTSHPVKQGLIQAFGVLTDT----LVICTSTAFIILFSDAYHTPGLSGIALTQASLSSHVGS---WASGFLAILILLFGFCALIGNYYYGETNIGF-LNKSKKLIFVYRIGVLAMIVFGCVAKVQL------------VWDLADLFMGLMVIVNLIAIFLLSKVVFTALKDYTRQKKAGKDPVFYKDVLKNHNGIECWPVSDTKTDTHNKQIS 2OCC Chain:A ((1-514)) ---------MFINRWLFSTNHKDIGTLYLLFGAWAGMVGTALSLLIRAELGQPGTLLG----------------DDQIYNVVVTAHAFVMIFFMVMPIMIGGFGNWLVPLMIGAPDMAFPRMNNMSFWLLPPSFLLLLASSMVE-----AGAGTGWTVYPPLAGNLAHAGASVDLTIFSLHLAGVSSILGAINFITTIINMKPPAMSQYQTPLFVWSVMITAVLLLLSLPVLAAGITMLLTDRNLNTTFFDPAGGGDPILYQHLFWFFGHPEVYILILPGFGMISHIVTYYSGKKEPFGYMGMVWAMMSIGFLGFIVWAHHMFTVGMDVDTRAYFTSATMIIAIPTGVKVFSWLATLHGGNIKWSPAMMWALGFIFLFTVGGLTGIVLANSSLDIVLHDTYYVVAHFHYVLSMGAVFAIMGGFVHWFPLFSGYTLNDTWAKIHFAIMFVGVNMTFFPQHFLGLSGMPRRYSDYPDAYTMWNTISSMGSFISLTAVMLMVFIIWEAFASKREVL---TVDLTTTNLEWLNG---CPPPYHTFEEPTYVNLK

General information: TITO was launched using: RESULT: Template: 2OCC.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 : 2069 -368001 -177.86 -832.58 target 2D structure prediction score : 0.55 Monomeric hydrophicity matching model chain A : 0.65 3D Compatibility (PKB) : -177.86 2D Compatibility (Sec. Struct. Predict.) : 0.55 1D Compatibility (Hydrophobicity) : 0.65 QMean score : 0.263

(partial model without unconserved sides chains): PDB file : Tito_2OCC.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2OCC-query.scw PDB file : Tito_Scwrl_2OCC.pdb: