Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MEKHYDYIAIGGGSGGIASINRAAMHGAKCALIE-----PKF-----LGGTCVNVGCVPKKVMWYGAQIKEAMDLYADAYGYQVDASF--NFQKLVENREAYIERIRGSYKNGLDNNNVDWIKGYAEFVDEKTLRV---NGE-LVTADHILIATGGEPALPSIPGA-EFGITSDGFFALKELPKKVAVVGAGYIAVELAGVLQQLGSETHLFVRKHAPLRNFDPLLTDTLTEIIEQSDMTLHKHAIPQKVEKNPDGSLTLSLEDGRT-----ETVDTLIWAIGRKPVIKGLQIEKSGVELLESGHIAVDKFQNTNVAGIYAVGDVT-GHYELTPVAIAAGRRLSERLFNNKKDAHLNYENIPTVVFSHPAIGTVGLTEPEAIEKYGKENIKVYTSSF--TSMYTAITDHREPCRMKLICEGK-TERVIGLHGIGYGVDEMIQGFAVAINMGATKADFDNTVAIHPTGSEEFVTMK |
3DH9 Chain:A ((6-470)) | ----YDLIVIGGGSAGLACAKEAVLNGARVACLDFVKPTPTLGTKWGVGGTCVNVGCIPKKLMHQASLLGEAVH-EAAAYGWNVDDKIKPDWHKLVQSVQNHIKSVNWVTRVDLRDKKVEYINGLGSFVDSHTLLAKLKSGERTITAQTFVIAVGGRPRYPDIPGAVEYGITSDDLFSLDREPGKTLVVGAGYIGLECAGFLKGLGYEPTVMVRSIV-LRGFDQQMAELVAASMEERGIPFLRKTVPLSVEKQDDGKLLVKYKNVETGEESEDVYDTVLWAIGRKGLVDDLNLPNAGVT-VQKDKIPVDSQEATNVANIYAVGDIIYGKPELTPVAVLAGRLLARRLYGGSTQ-RMDYKDVATTVFTPLEYACVGLSEEDAVKQFGADEIEVFHGYYKPTEFFIPQKSVRY-CYLKAVAERHGDQRVYGLHYIGPVAGEVIQGFAAALKSGLTINTLINTVGIHPTTAEEFTRL- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3DH9.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -250885 for 3702 contacts (-67.8/contact) +
2D Compatibility (PS) -46809 + (NN) -5747 + (LL) 700
1D Compatibility (HY) -42000 + (ID) 9100
Total energy: -353841.0 ( -95.58 by residue)
QMean score : 0.475
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