Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MKLNFLYANMQKDIDSVEKELKKALSGAAADTTSAAALHLLEAGGKRIRPMFVCLSARLAANADFNAVKNASVAIELIHMASIVHDDVVDDADLRRGRETIKSKWGNHIAMYTGDFLFAKSLEYMTEIKDVAAHKMLSHVTVELSTGEIEQLKDKYNFDQSVRNYLRRIKRKTALLIAASCGLGGVVSGQSEADYQKLYRFGYYVGMAFQITDDVLDFVGTEKELGKPAGEDLRQGNVTLPVFFAME------DPFLKKRISQITEETPAEEIAVLVEEVKKTGAKQAEDVATTYLKKAVEILDSLPQVPELKPLKQIVRVLDKRNY |
3AQB Chain:B ((5-325)) | ----SYKAFLNPYIIEVEKRLYECIQSDS-ETINKAAHHILSSGGKRVRPMFVLLSGFLNDTQK-DDLIRTAVSLELVHMASLVHDDYIDNSDMRRGNTSVHIAFDKDTAIRTGHFLLARALQNIATINNSKFHQIFSKTILEVCFGEFDQMADRFNYPVSFTAYLRRINRKTAILIEASCHLGALSSQLDEQSTYHIKQFGHCIGMSYQIIDDILDYTSDEATLGKPVGSDIRNGHITYPLMAAIANLKEQDDDKLEAVVKHLTSTSDDEVYQYIVSQVKQYGIEPAELLSRKYGDKAKYHLSQLQDSNIKDYLEEIHEKMLKRVY |
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General information:
TITO was launched using:
| RESULT:
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Template: 3AQB.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -148615 for 2604 contacts (-57.1/contact) +
2D Compatibility (PS) -33692 + (NN) -16026 + (LL) 644
1D Compatibility (HY) -25600 + (ID) 5800
Total energy: -229089.0 ( -87.98 by residue)
QMean score : 0.537
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