Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MKKYSAIPTPCYALESERLEKNAKILEIVRQQ------SGAKVLLALKGYAFWREFGILRQKLNGCCASGLYEAKLAFEEFGGRESHKEICVYSPAFKEAEMSAILPLAT-SIIFNSFHQYATYKDRILDKNKQLENLGLSPIKMGLRINPLYSEVTPAIYNPCSKMSRLGITPSGFEK--GVK---EHGLEGVSGLHFHTHCEQN-ADALCRTLEHVERHFKP---YLENMAWVNFGGGHHITRS----DYDVNLLIQTIKDFKERY----HNTEVILEPGEAIGWQCGFLIASVIDIVQ-NDQEIAILDASFSAHMPDCLEMPYRPSILKVSVENDEEIIEVEKGENQGAFSYFLGGPTCLAGDFMGS-FSFETPLKRGDKIVFQDMLHYTIVKNNSFNGVPLPSLAKIDSQGFKILKS-FSYEDYKNRN |
1TWI Chain:A ((25-426)) | ---AEKFGTPLYVMSEEQIKINYNRYIEAFKRWEEETGKEFIVAYAYKANANLAITRLLAKLGCGADVVSGGELYIAKLS--NV-PSKKIVFNGNCKTKEEIIMGIEANIRAFNVDSISELILINETAKE--------LGETANVAFRINPNVNPKTHPKISTGLKKNKFGLDVESGIAMKAIKMALEMEYVNVVGVHCHIGSQLTDISPFIEETRKVMDFVVELKEEGIEIEDVNLGGGLGIPYYKDKQIPTQKDLADAIINTMLKYKDKVEMPNLILEPGRSLVATAGYLLGKVHHIKETPVTKWVMIDAGMNDMMRPAMYEAYHHIINCK--------------VKNEKEVVSIAGGLCESSDVFGRDRELD-KVEVGDVLAIFDVGAYGISMANNYNARGRPRMVLTSKKGVFLIRERETYADLIAKD |
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General information:
TITO was launched using:
| RESULT:
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Template: 1TWI.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -179984 for 3224 contacts (-55.8/contact) +
2D Compatibility (PS) -39447 + (NN) -6479 + (LL) 2016
1D Compatibility (HY) -9600 + (ID) 3450
Total energy: -236944.0 ( -73.49 by residue)
QMean score : 0.417
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