Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MTRSDTLATKLPWSDWLSRQRWYAGRNRELATVKPGVVVALRHNLDLVLVDVTYTDGATERYQVLVGWDFEPASEYGTKAAIGVADDRTGFDALYDVAGPQFLLSLIVSSAVCGTSTGEVTFTREPDVELPFAAQPRVCDAEQSNTSVIFDRRAILKVFRRVSSGINPDIELNRVLTRAGNPHVARLLGAYQFGRPNRSPTDALAYALGMVTEYEANAAEGWAMATASVRDLFAEGDLYAHEVGGDFAGESYRLGEAVASVHATLADSLGTAQATFPVDRMLARLSSTVAVVPELREYAPTIEQQFQKLAAEAITVQRVHGDLHLGQVL-RTPESWLLIDFEGEPGQPLDERRAPDSPLRDVAGVL-----RSFEYAAYGPLVDQATDKQLAARAREWVERNRA-AFCDGYAVASGIDPRDSALLLGAYELDKAVYETGYETRHRPGWLPIPLRSIARLTAS- |
3I1A Chain:A ((3-330)) | ----------------------------KQPIQAQQLIELLKVHYGIDIHTAQFIQGGADTNAFAYQADSES-------------------------------------------KSYFIKLKYGYHDE------------------------INLSIIRLLHDSGIKEIIFPIHTLEAKLFQQLKHFKIIAYPFIH-----------APNGFTQNLTGKQWKQLGKVLRQIHETSVPISIQQQLRKEIYSPKWREIVRSFYNQIEFDNSDDKLTAAFKSFFNQN------SAAIHRLVDTSEKLSKKIQPDLDKYVLCHSDIHAGNVLVGNEESIYIIDWD-------EPMLAP--KERDLMFIGGGVGNVWNKPHEIQYFYEGYGEINVDKTILSYYRHERIVEDIAVYGQDLLSRNQNNQSRLESFKYFKEMFDPN--------------NVVEIAFATE |
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General information:
TITO was launched using:
| RESULT:
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Template: 3I1A.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -46342 for 2409 contacts (-19.2/contact) +
2D Compatibility (PS) -33677 + (NN) -7299 + (LL) 7552
1D Compatibility (HY) -6400 + (ID) 1900
Total energy: -88066.0 ( -36.56 by residue)
QMean score : 0.225
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