Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MPDIRCIAVVGTGAMGTGIAQIAAQAGLTVWLFDSRAEAAAEARQRLRQTFESLCGKG---KLSAADAEAAQNRLRVAERLEQ---LGDCELVVEAIVERLEAKQELLRRLEAIVAPESILASNTSSLSITAIAAACERPQRVAGFHFFNPVPLMRVVEVVDGLASAPEVGDALLALAARLGHRGVRTKDSPGFIVNHAGRAYGTEALRILGEGVAECAEIDRVLRECAGFRMGPFELLDLTGLDVSHPVMESIYQQYYQEPRYRPHPLTRQLLAAGRLGRKSGQGFYRYVDGQPQDKPGPQPVPQAAARPPVWLGCENEDDRRTLAELLHRLGVEPETGERPSAAALCLLAAWGEDLSSAVQRFACPAERSVGIDLLCDLERRRCLMLSPLTAPAMRDAAHALLAGDGVGVTVLRDSPGFVVQRVLAMIVNLACDIAQQGIASVEDIDQAVHLGLGYPHGPLEWGDRLGPRRLLSILQRLQALTGDPRYRPSPWLRRRAQLGMSLRAGETAAVD |
3HDH Chain:B ((15-301)) | ---VKHVTVIGGGLMGAGIAQVAAATGHTVVLVDQTEDILAKSKKGIEESLRKVAKKKFAENPKAGDEFVEKTLSSISTSTDAASVVHSTDLVVEAIVENLKVKSELFKRLDKFAAEHTIFASNTSSLQITSLANATTRQDRFAGLHFFNPVPLMKLVEVVKTPMTSQKTLESLVDFSKTLGKHPVSCKDTPGFIVNRLLVPYLIEAVRLYERGDASKEDIDTAMKLGAGYPMGPFELLDYVGLDTTKFIIDGWHEMDSQNPLFQPSPAMNKLVAENKFGKKTGEGFYKYK-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3HDH.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -156508 for 2314 contacts (-67.6/contact) +
2D Compatibility (PS) -31193 + (NN) -16003 + (LL) 14052
1D Compatibility (HY) -21200 + (ID) 5500
Total energy: -216352.0 ( -93.50 by residue)
QMean score : 0.394
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