Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MQLHAMWDEYPALSKDLQEVLQTIEKNIQIRDKHVEQNVKDLIHAGGKLLRPAFALLSAQAGPDYDKDRAVSIAAALEVLHMATLIHDDVVDDSPLRRGIPTIHSKYGRNYAVYTGDYLFCICFKILSAHASSVENIEFN---SKNIEKILMGELDQMRTSYKMNVTVREYLTRISGKTAQLFALSCYSGATGSKATRMTVAKCYNIGHYLGMAFQIIDDVLDYTSTDEGLGKPVLNDMKQGIYSLPLIYAMKGHLAE-----FEPLLSQKLDMTDEASEQVLALISKYKGVEQAFKLAKKYTNKALREIKKLPAGAYREDMYRLTKNILDRDI |
3AQC Chain:B ((16-323)) | ------------------EVEKRLYECIQSDSETINKAAHHILSSGGKRVRPMFVLLSGFLN-DTQKDDLIRTAVSLELVHMASLVHDDYIDNSDMRRGNTSVHIAFDKDTAIRTGHFLLARALQ----NIATINNSKFHQIFSKTILEVCFGEFDQMADRFNYPVSFTAYLRRINRKTAILIEASCHLGALSSQLDEQSTYHIKQFGHCIGMSYQIIDDILDYTSDEATLGKPVGSDIRNGHITYPLMAAI-ANLKEQDDDKLEAVVKHLTSTSDDEVYQYIVSQVKQYGIEPAELLSRKYGDKAKYHLSQLQDSNIKDYLEEIHEKMLKR-- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3AQC.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -142107 for 2449 contacts (-58.0/contact) +
2D Compatibility (PS) -32002 + (NN) -17920 + (LL) 2160
1D Compatibility (HY) -20400 + (ID) 5050
Total energy: -215319.0 ( -87.92 by residue)
QMean score : 0.483
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