Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MITACPRPCAWRSYALGLGLLPLAAQAEFLADSSAHLDLRNFYQLRDYRQHDAPQSQAGNWSQGFVLRLQSGFTGGPLGFGLDATGLLGVKLDSGRGRSNDGTLPFGANSKEPVDDYSHLGLTAKLRYSQTQLQVGILMPQLPVAFRDDVRLLPQTFDGALLTSSEIEGLTLTAGQLWKSRTRESAGSDDMYIMGRDKAHASDEFNLAGATYAFTPRLSASYYYGQLKDIYRQHYLGLLHTLPLGEGLSLRSDLRYFDSGEDGAAISGPVDNRNLNAMLTLRAGAHAFGIGVQKMIGNDAFPVLNGYTTPYVANLMAYQTFTRPQEKSWQLRYDYDFAGLGLPGLNLMTRYVQGRDIDRGAGRADDSEWERNTDLSYVIQSGPLKSVALKWRNITYRSRYGADLDENRFIVNYTLKLW |
3SZV Chain:A ((18-401)) | ---------------------------DLVEDSHASLELRNFYFNRDFR---------DEWAQGFLLRLESGFSEGTVGFGVDAIGLLGFKLDS-------------------QDDYAKLGLTAKARVSNSLLKVGALHFKSPLVSANDTRLLPELFRGALLDVQEIDGLTLRGAHL--DRNKLNSSSDYQVFSANRIGGRSDAFDFAGGDYRLTPALTASLHQGRLKDIYRQTFAGLVHTLDLG--RSLKSDLRFARASEDGGFRE--LDNRAFGALFSLRLGAHAVAAGYQRISGDDPYPYIAG-SDPYLVNFIQIGDFGNVDERSWQLRYDYDFGALGLPGLSFMSRYVSGDNVARGAAN-DGKEWERNTDLGYVVQSGPLKNLGVKWRNATVRSNFANDLDENRLILSYSLALW |
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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) -19022 for 2801 contacts (-6.8/contact) +
2D Compatibility (PS) -36174 + (NN) -266 + (LL) 2232
1D Compatibility (HY) -34400 + (ID) 9300
Total energy: -96930.0 ( -34.61 by residue)
QMean score : 0.233
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