Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MPEITVRAKSKTYPVYINEFALEDIREKWTKSLAKFSHVFVLTDGHVAELHKAKLDAVLADLP-------VVTYYVAPNGEEAKTFRVYEDVMTKMIETG--LDRKAVLIAFGGGVIGDLGGFVAATYMRGIPFYQVPTTVLAH-DSAVGGKVAINHPLGKNMIGNFYQPEAVIYDTQFFATLPERELRSGFAEMIKHALISDLTLLRALMDTFTEPKDFY-------TKDLTPFLQRGIEIKANIVAQDETEQGVRAYLNFGHTFGHALEAYGNFGKWLHGEAITYGMIYALTMSETIYGL-DFDLAEFKTWLEQLGY----------DTTFDASVPFSKILENMRHDKKTTFNEISMVLLEEIGKPVIFKADDDLIFETYKRVMRKGGNVI |
1DQS Chain:A ((4-391)) | PTKISIL---GRESIIADFGLWRNYVAKDLISDCSSTTYVLVTDTNIGSIYTPSFEEAFRKRAAEITPSPRLLIYNRPPGEVSKSRQTKADIEDWMLSQNPPCGRDTVVIALGGGVIGDLTGFVASTYMRGVRYVQVPTTLLAMVDSSIGGKTAIDTPLGKNLIGAIWQPTKIYIDLEFLETLPVREFINGMAEVIKTAAISSEEEFTALEENAETILKAVRRRFEGTEEILKARILASARHKAYVVSADEREGGLRNLLNWGHSIGHAIEAILTP-QILHGECVAIGMVKEAELARHLGILKGVAVSRIVKCLAAYGLPTSLKDARIRKLTAGKHCSVDQLMFNMALDKKNDGPKKKIVLLSAIGTPYETRASV-VANEDIRVVL------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 1DQS.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -219515 for 3078 contacts (-71.3/contact) +
2D Compatibility (PS) -37807 + (NN) -10757 + (LL) 68
1D Compatibility (HY) -26000 + (ID) 5750
Total energy: -299761.0 ( -97.39 by residue)
QMean score : 0.576
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