Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MAKKKHKIPTLKYFLRSLKQIYRLITFKEKMIFFLLVLMAVFSSFVEVMSLTLLMPFITLASDPSRALDDKDWKMVYDFFHFSSPVRLMYFFSFCLVGIYLFRMFYGVFFTYLRGRFSNKKAYQIKQQLFLQHIKNNYLSHLNHNLDSLRDIINNKAEGMFMSFNAFLSLLTEITVIVFFYSTLILTNWKITLVFTTILALQIFFIVKKVTVLIKKKGEMAAKSKAQTLKVFSKFFSNFKITKLKDNHEEAHKLFGENSRKAHDTEIIYSTLQVVPRYSIETVGFSLLILAVAYILFKYGEARMVLPTISMYALALYRILPSVTGVISYYNEIAYNQLATNVVFKSLSKTIVEEDLVPLDFNEKITLQNISFAYKSKHPVLKNFNLTIQKGQKIALIGHSGCGKSTLADIIMGLTYPKSGEIFIDNTLLTSENRRSWRKKIGYIPQNIYLFDGTVGDNIAFG-SA-IDEKRLIKVCKMAHIYDFLCE-HEGLKTQVGEGGAKLSGGQKQRIGIARALYDNPEILVLDEATSALDNETESKIMDEIYQIAKNKTLIVIAHRLSTIERCEVIIDMSQHKDNLG |
3VX4 Chain:A ((29-247)) | ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------SFLDGDISFENLSYKYGFGRDTLSDINLSIKKGSKVSLVGASGSGKTTLAKLIVNFYEPNKGIVRINGNDLKVIDKTALRRHISYLPQQAYVFSGSIMDNLVLGAKEGTSQEDIIRACEIAEIRSDIEQMPQGYQTELSD-GAGISGGQKQRIALARALLTQAPVLILDAATSSLDILTEKKIISNLLQM-TEKTIIFVAHRLSISQRTDEVIVMDQGKIVEQ |
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General information:
TITO was launched using:
| RESULT:
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Template: 3VX4.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -138384 for 1704 contacts (-81.2/contact) +
2D Compatibility (PS) -23474 + (NN) -3776 + (LL) 33256
1D Compatibility (HY) -18800 + (ID) 4100
Total energy: -155278.0 ( -91.13 by residue)
QMean score : 0.444
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