Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MITACPRPCAWRSYALGLGLLPLAAQAEFLADSSAHLDLRNFYQLRDYRQHDAPQSQAGNWSQGFVLRLQSGFTGGPLGFGLDATGLLGV--KLDSGRGRSNDGTLPFGANSKEPVDDYSHLG-LTAKLRYSQTQLQVGILMPQLPVAFRDDVRLLPQTFDGALLTSSEIEGLTLTAGQLWKSRTRESAGSDDMYIMGRDKAHASDEFNLAGATYAFTPRLSASYYYGQLKDIYRQHYLGLLHTLPLGEGLSLRSDLRYFDSGEDGAAISGPVDNRNLNAMLTLRAGAHAFGIGVQKMIGNDAFPVLNGYTTPYVANLMAYQTFTRPQEKSWQLRYDYDFAGLGLPGLNLMTRYVQGRDIDRGAGRADDSEWERNTDLSYVIQSGPLKSVALKWRNITYRSRYGADLDENRFIVNYTLKLW |
3SZV Chain:A ((12-401)) | ---------------------YFQGLEDLVEDSHASLELRNFYFNRDFR---------DEWAQGFLLRLESGFSEGTVGFG--VDAIGLLGFKLDS-------------------QDDYAKLGLT-AKARVSNSLLKVGALHFKSPLVSANDTRLLPELFRGALLDVQEIDGLTLRGAHLDRNKLNSSSDYQVFSANR--IGGRSDAFDFAGGDYRLTPALTASLHQGRLKDIYRQTFAGLVHTLDLG--RSLKSDLRFARASEDGG--FRELDNRAFGALFSLRLGAHAVAAGYQRISGDDPYPYIAGSD-PYLVNFIQIGDFGNVDERSWQLRYDYDFGALGLPGLSFMSRYVSGDNVARGA-ANDGKEWERNTDLGYVVQSGPLKNLGVKWRNATVRSNFANDLDENRLILSYSLALW |
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General information:
TITO was launched using:
| RESULT:
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Template: 3SZV.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -29010 for 2792 contacts (-10.4/contact) +
2D Compatibility (PS) -36664 + (NN) -251 + (LL) 1904
1D Compatibility (HY) -31600 + (ID) 8800
Total energy: -104421.0 ( -37.40 by residue)
QMean score : 0.224
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