Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MPDIRCIAVVGTGAMGTGIAQIAAQAGLTVWLFDSRAEAAAEARQRLRQTFESLCGKG---KLSAADAEAAQNRLRVAERLEQ---LGDCELVVEAIVERLEAKQELLRRLEAIVAPESILASNTSSLSITAIAAACERPQRVAGFHFFNPVPLMRVVEVVDGLASAPEVGDALLALAARLGHRGVRTKDSPGFIVNHAGRAYGTEALRILGEGVAECAEIDRVLRECAGFRMGPFELLDLTGLDVSHPVMESIYQQYYQEPRYRPHPLTRQLLAAGRLGRKSGQGFYRYVDGQPQDKPGPQPVPQAAARPPVWLGCENEDDRRTLAELLHRLGVEPETGERPSAAALCLLAAWGEDLSSAVQRFACPAERSVGIDLLCDLERRRCLMLSPLTAPAMRDAAHALLAGDGVGVTVLRDSPGFVVQRVLAMIVNLACDIAQQGIASVEDIDQAVHLGLGYPHGPLEWGDRLGPRRLLSILQRLQALTGDPRYRPSPWLRRRAQLGMSLRAGETAAVD |
1IL0 Chain:B ((15-301)) | ---VKHVTVIGGGLMGAGIAQVAAATGHTVVLVDQTEDILAKSKKGIEESLRKVAKKKFAENPKAGDEFVEKTLSTIATSTDAASVVHSTDLVVEAIVENLKVKNELFKRLDKFAAEHTIFASNTSSLQITSIANATTRQDRFAGLHFFNPVPVMKLVQVIKTPMTSQKTFESLVDFSKALGKHPVSCKDTPGFIVNRLLVPYLMEAIRLYERGDASKEDIDTAMKLGAGYPMGPFELLDYVGLDTTKFIVDGWHEMDAENPLHQPSPSLNKLVAENKFGKKTGEGFYKYK-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 1IL0.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -150286 for 2353 contacts (-63.9/contact) +
2D Compatibility (PS) -31212 + (NN) -17780 + (LL) 14052
1D Compatibility (HY) -20400 + (ID) 5400
Total energy: -211026.0 ( -89.68 by residue)
QMean score : 0.460
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