Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | ----------MLIRIGTRGSSLAIAQ-------------------ALEAKQKLLDLFSSLS---VEIIKIKTSGDKYANAN-LAEIGGKG-LFI--KEIETELIKSNIDMAVHSLKDVP-AFFSKDL-----TIPCILERLS-PYD--------TF-ISNKYKSLKSL--------PQQAIIATSSIRRKVQLLNFRP--------DLN-----IVPLRGNVTTRLQNQSFDGIILAEAGLIRLKKDYLITEVLSPKTMLSAVGQGAICIQCRK----NDIKII---DLLEKINNNKSFIRVKSERSFMKTVNGSCFTP-LAALAKYVSEN--------VLHLYC-----MLADKKNIYFT-ERTSF------------------VEDAEKMGMDAGLELKSKCL----------------------------------- |
4OO3 Chain:A ((3-441)) | EGFTGAPGEVKLITLDPGHFHAALVQKVSYPQVSKDVYVYAPTGFDVDEHLKRIQGFNTRAENPTAWNEIVYTGDDYLE-KMLAEKKGNVMIQAGNNGKKTEYIKKTLEAGINVLSDKPMAINSQSFKLLEECFAIAKQKNIMLYDIMTERNEITTMLQRELSTIPAVYGEQLKGSPEEPAIVKESVHHLFKLVDNKPLTRPVWYLDVNQQGEGIVDVTTHLVDLVQWEAFPDQIIDYRKDIELIDANRWTTSISPEEFKQVTGTDAYPDFLKKDVENDTLKVYCNGDIVYKIKGVTAKVSVIWNYTFPKGGGDTHFSVMKGSKADLVIRQGKEQNYQPELFVEAVKGVDLAAYEKDLTASMEKVSAEYPGVALNKVGDGVWQVEIPAKYRVGHEAHFGQVTEHFLDYLKEGKLPDWEVPNMLAKYYTTTSALDMAKAKT |
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General information:
TITO was launched using:
| RESULT:
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Template: 4OO3.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -35819 for 1879 contacts (-19.1/contact) +
2D Compatibility (PS) -30044 + (NN) 5262 + (LL) 144
1D Compatibility (HY) -8800 + (ID) 3150
Total energy: -72407.0 ( -38.53 by residue)
QMean score : 0.259
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