Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MKIPPQRQLAIQYNVNRVTIIKSIELLEAEGFIYTKVGSGTYVNDYLNEAHITNKWSEMMLWSSQQRSQYTVQLINKIETDDSYIHISKGELGISLMPHIQLKKAMSNTASHIEDLSFGYNNGYGYIKLRDIIVERMSKQGINVGRENVMITSGALHAIQLLSIGFLGQDAIIISNTPSYIHSTNVFEQLNFRHIDVPYNQINEINTIIDRFINF----KNKAIYIEPRFNNPTGRSLTNEQKKNIITYSERHNIPIIEDDIFRDI-FFSDPTPAIKTYDK---LGKVIHISSFSKTIAPAIRIGWIVASEK-IIEQLADVRMQIDYGSSILSQMVVYEMLKNKSYDKHLVKLRYVLKDKRDFMLNILNNLFKDIAHWEVPSGGYFVWLVFKIDIDIKYLFYELLSKEKILINPG-YI-YG-SKEKSIRLSFAFESNENIKHALYKIYTYVKKV |
2ZYJ Chain:A ((31-392)) | --------------------------------------------------------------------------------RPGILSFAGGLPAPELFPKEEAAEAAARILREKGEVALQYSPTEGYAPLRAFVAEWIG-----VRPEEVLITTGSQQALDLVGKVFLDEGSPVLLEAPSYMGAIQAFRLQGPRFLTVPAGE---EGPDLDALEEVLKRERPRFLYLIPSFQNPTGGLTPLPARKRLLQMVMERGLVVVEDDAYRELYFGEARLPSLFELAREAGYPGVIYLGSFSKVLSPGLRVAFAVA-HPEALQKLVQAKQGADLHTPMLNQMLVHELLK-EGFSERLERVRRVYREKAQAMLHALDREVPKEVRYTRPKGGMFVWMELPKGLSAEGLFRRA-LEENVAFVPGGPFFANGGGENTLRLSYATLDREGIAEGVRRLGRALKG- |
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General information:
TITO was launched using:
| RESULT:
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Template: 2ZYJ.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -222606 for 3033 contacts (-73.4/contact) +
2D Compatibility (PS) -38317 + (NN) -21292 + (LL) 7356
1D Compatibility (HY) -19200 + (ID) 4350
Total energy: -298409.0 ( -98.39 by residue)
QMean score : 0.550
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