Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MGIAVLGGAGYIGSHAVDELITRGYEVVVIDNLRTGHRESIH-------KKAKFYEGDIRDKAFLSSVFEKEK-VDGVIHFAASSLVGESMEVPLDYLNNNVYGTQIVLEVMEEFDVKHIVFSSSAATYGE----PERVPITEDMPTNPESTYGETKLIMEKMM------------KWCDKAYGMKF--VALRYFNVAGAKADGSIGEDHKPES---HLVPIILQVALGQREKLAIYGDDYNTPDGTCIRDYVQVEDLIDAHIRALEYLK-NGGESNIFNLGSSNGFSVKEMLEAARTVTGKEIPAEVVPRRAGDPGTLIASSDKAREILGWEPTYTDVKDIIATAWKWHVSHPNGY |
4LIS Chain:B ((6-357)) | --VLVTGGTGYIGSFTTLALLEAGYKVVVADNLYNSSAEALNRIELISGKKAEFAQLDVTDEAAFDKVFEAHPDIDSVIHFAALKAVGESGEKPLDYYHVNVYGTICLLRSMVRHNVTNIVFSSSATVYGDATRFPDMIPIPEHCPLGPTNPYGNTKFAIELAITDVINAQRNNAKKAGNETEAAKWNGALLRYFNPAGAHPSGIMGED--PQGVPYNLLPLLAQVATGKREKLLVFGDDYASHDGTAIRDYIHILDLADGHLKALNYLRANNPGVRAWNLGTGRGSTVYEMIRAFSKAVGRDLPYEVAPRRAGDVLNLTSNPTRANTELGWKAQRT-LEQACEDLWLWTKNNPQGY |
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General information:
TITO was launched using:
| RESULT:
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Template: 4LIS.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -177650 for 2722 contacts (-65.3/contact) +
2D Compatibility (PS) -34644 + (NN) -13652 + (LL) 68
1D Compatibility (HY) -20000 + (ID) 7300
Total energy: -253178.0 ( -93.01 by residue)
QMean score : 0.603
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