Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSDAMTQGNFVYAFLKSCFTRLRGFAQFLLPFLRPKKRRGINYYNPVELNKYAMQTLQKALKDDPGADIRDCLPLVYNSAMRVISKTKARKEEELKRPPTPEFRTKINYVENAEIIFPLSDEVVSLLLQYSDKDGELVGKQLVISLKQLIWESPKIWESAVRGVVLKCSDNVALKVIRQH----PDYTEYTTLQYLAEKLPEIPVPSTYGVIR-FKPFTAYFMSYIPSMTLAE-AWPSLNHEGKTSVQEQLEEIFSKLRTLRKDDGYPLGGVGGEGVKEARVGNSAQEKTINTAASFVDLQFSLS-EFLSKSYIQFIRTLQP---PPPTGSVFTHGDVRKDNIMVDIGDNNTCTVTAIIDWEDAGFYPDYFECTTLTRTWLPHVEDDWYNYLPPCIDPARFPHHWLIDRLWGIHHPIF 3TDW Chain:A ((30-239)) ---------------------------------------------------------------------------------------------------------------------------------------------------------------GFRNYAILVNGDWVFRFPKSQQGADELNKEIQLLPLLVGCV-KVNIPQYVYIGKRSDGNPFVGYRKVQGQILGEDGMAVLPDDAKDRLALQLAEFMNELSAFPVETAISAGVPV----TNLKNKILLLS------EAVEDQVFPLLDESLRDYLTLRFQSYMTHPVYTRYTPRLIHGDLSPDHFLTNLNS-RQTPLTGIIDFGDAAISDPDYDYVYLLEDCG-------------------------------------

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 : 770 -2822 -3.66 -14.11 target 2D structure prediction score : 0.50 Monomeric hydrophicity matching model chain A : 0.61 3D Compatibility (PKB) : -3.66 2D Compatibility (Sec. Struct. Predict.) : 0.50 1D Compatibility (Hydrophobicity) : 0.61 QMean score : 0.157

(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: