Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MLQRNFLIWLLASLFYAYQYILRVIPNIIAPELITKFNISIADIGQFGGLYYIGYTFAHIPVGFALDR-FGPKFVLPICVVLTFVGTLPLIYF---DEWYYLTFSRIIVGVG-SSASAIGIFKIASTYFSQKKSAKMASLSIIVGLLGAIYGGLPLNFLFNKFGWDYVIYAFSTFGCLLALLLFFITPNN-------STEKNVSGNVFQDLKTVLFNKHIILISFFSGLMVGPLEGFADGWAKAFLCEVY---------------QMTGDLASLLSSLIF--IGMGAGSFFLAYFLERHPNRHYEAIIACSL--AMIASFLLLFAQAGGLYVVLPTLLIIGFAS-----------------GYQVIAIYKAISYVDNSLVGLTTAVSNMI-------IMVFGYFFHTGIAKIVDLCWDRTVIQGNPVYGSELLIKAISIIPICLLLAVFWFVWLKKRS--- |
2XUT Chain:A ((13-500)) | QIPYIIASEACERFSFYGMRNILTPFLMTALLLSIPEELRGAVAKDVFHSFVIGVYFFPLLGGWIADRFFGKYNTILWLSLIYCVGHAFLAIFEHSVQGFYTGLFLIALGSGGIKPLVSSFMGDQFDQSNKSLAQKAFDMFYFTINFGSFFASLSMPLLLKNFGAAVA-FGIPGVLMFVATVFFWLGRKRYIHMPVEGKGNIGLVLALIGGVSAAYALVNIPTLGIVAGLCCAMVLVMGFVGAGASLQLERARKSHPDAAVDGVRSVLRILVLFALVTPFWSLFDQKASTWILQANDMVKPQWFEPAMMQALNPLLVMLLIPFNNFVTALRKMGAGIAITGLSWIVVGTIQLMMDGGSALSIFWQILPYALLTFGEVLVSATGLEFAYSQAPKAMKGTIMSFWTLSVTVGNLWVLLANVS----VKSPTVTEQIVQTGMSVTAFQMFFFAGFAILAAIVFA |
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General information:
TITO was launched using:
| RESULT:
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Template: 2XUT.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -355299 for 3080 contacts (-115.4/contact) +
2D Compatibility (PS) -40198 + (NN) -6895 + (LL) 548
1D Compatibility (HY) -9200 + (ID) 2050
Total energy: -413094.0 ( -134.12 by residue)
QMean score : 0.183
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