Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MNETLLLHGIQLILIIAMIITFYQIVRHIRSQKINPFKRFFTGLWIGFVTDALDTLGIGSFATTTTFFKLTKLVEDDRKIPATMTAAHVLPVLLQSLCFIFVVKVEALTLITMAGAAFIGA-FVGAKMTKNWHAPTVQRILGTLLITAAIIMLYRMITNPGAGISDSVHGLHGIWLFVGIVFNFIIGVLMTMGLGNYAPELIFFSLMGLSPAVAMPVMMLDAAMIMTASSTQFIKSGRVNWNGFAGLVTGGILGVIVAVLFLTNLDLNSLKTLVVGIVLFTGAMLIRSSFKK-TMP-KSHH |
3DU1 Chain:X ((0-236)) | --------HMNVGEILRHYAAGKRNFQHINLQEIELTNASLTGADLSYAD--LRQTRLGKSNFSHTCLR-----------EADLSEAILWGI--------------DLSEADLYRAILREADLTGAKLVKT-------RLEEANLIKASLC---------GANLNSA--NLSRCLLFQA---DLRPSSNQRTDLGYVLLTGADLSYADLR-AASLHHANLDGAKLCRAN---FGRT--IQWGNLAADLSGASLQG--ADLSYANLESAILRKANLQGADLTGAILKDAELKGAIMPDGSIH |
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General information:
TITO was launched using:
| RESULT:
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Template: 3DU1.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -219782 for 2147 contacts (-102.4/contact) +
2D Compatibility (PS) -22382 + (NN) 17457 + (LL) 6272
1D Compatibility (HY) 21600 + (ID) 850
Total energy: -197685.0 ( -92.07 by residue)
QMean score : -0.018
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