Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MPGRTSIGVKIRDKVQDKVIAITGGARGIGLATAAALHNLGAKVAIGDIDEAMAKESGADL-----DLDMYGKLDVTDPDSFSGFLDAVERQLGPIDVLVNNAGIMPVGRIVDEPDPVTRRILDINVYGVILGSKLAAQRMVPRGRGHVINVASLAGEIYAVGVATYCASKHAVVAFTDSARLEYRSAGVKFSMVLPSFVNTELIAGTG----------------------GIKGFKNAEPADIADAIVGLIVHPKPRVRVTKAAGSMIVAQRFMPRQVSEGLNRLLGGEHVFTDDVDMEKRRTYEARARGEE |
3AI3 Chain:A ((3-246)) | ------------MGISGKVAVITGSSSGIGLAIAEGFAKEGAHIVLVARQVDRLHEAARSLKEKFGVRVLEVAVDVATPEGVDAVVESVRSSFGGADILVNNAGTGSNETIMEAADEKWQFYWELLVMAAVRLARGLVPGMRARGGGAIIHNASICAVQPLWYEPIYNVTKAALMMFSKTLATEVIKDNIRVNCINPGLILTPDWIKTAKELTKDNGGDWKGYLQSVADEHAPIK-RFASPEELANFFVFLCSERAT-------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3AI3.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -118723 for 1856 contacts (-64.0/contact) +
2D Compatibility (PS) -22650 + (NN) -2861 + (LL) 5056
1D Compatibility (HY) -10000 + (ID) 2500
Total energy: -151678.0 ( -81.72 by residue)
QMean score : 0.499
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