Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MAKLNMNNEIKKVEQRLEKAIKSKDSVLEQASLHLLSSGGKRVRPAFVILSSQFGKDEQTSEQTYQVAVALELIHMATLVHDDVIDKSDKRRGKLTISKKWDQTTAILTGNFLLALGLEHLMAVKDNRVHQLISESIVDVCRGELFQFQDQFNSQQTIINYLRRINRKTALLIQISTEVGAITSQSDKETVRKLKMIGHYIGMSFQIIDDVLDFTSTEKKLGKPVGSDLLNGHITLPIL---LEMRKNPDFKLK--IEQLRRDSERKEFEECIQIIRKSDSIDEAKAVSSKYLSKALNLISELPDGHPKSLLLSLTKKMGSRNT |
3AQC Chain:B ((7-323)) | --KAFLNPYIIEVEKRLYECIQSDSETINKAAHHILSSGGKRVRPMFVLLSG-FLNDTQKDDLI-RTAVSLELVHMASLVHDDYIDNSDMRRGNTSVHIAFDKDTAIRTGHFLLARALQNIATINNSKFHQIFSKTILEVCFGEFDQMADRFNYPVSFTAYLRRINRKTAILIEASCHLGALSSQLDEQSTYHIKQFGHCIGMSYQIIDDILDYTSDEATLGKPVGSDIRNGHITYPLMAAIANLKEQDDDKLEAVVKHLTSTSDDEVYQYIVSQVKQY-GIEPAELLSRKYGDKAKYHLSQLQDSNIKDYLEEIHEKMLKR-- |
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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) -109836 for 2517 contacts (-43.6/contact) +
2D Compatibility (PS) -33798 + (NN) -21159 + (LL) 460
1D Compatibility (HY) -26000 + (ID) 7000
Total energy: -197333.0 ( -78.40 by residue)
QMean score : 0.500
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