Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MFSILMAIIQITGIFIAIQILTNKVFSIKEGLVTIAIAMLAFPLFTLVQYWSMIFVLIVFVSALYWKNKNVVVSASITLVVIILLTISDSIVGFILVPGLNFKYDEIFNELLPTLIYCAGMLANLLVFSFLLRKLIEKVNISRFVEHRKYAYIIFSIVALTVLAFYMNIYAGSIAGFDGSVLKINTLIFTGYTILLIVIVTVVINTATNELKVQNQKEQLEQLQDYVTTLESLHREMRVFRHDYVNILSTLVGYIDNN-------DMPGLKYYFENNIVPINKTIESNNYKISLLQNIH-------------VIELKGLLAVKLIRAQELKIDAILEVVEPI-DKISMDSIDLCKVVGILLDNAVEAALTCE-NPVIRIAFVKKGDSIIIVFANSLPV-NMPPIYKIFEEGFSTKGEGRGLGLASLREIMKKYSHVALDTKV---TDREVIQELEIM |
2C2A Chain:A ((18-247)) | --------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------RMKTEFIANISHELRTPLTAIKAYAETIYNSLGELDLSTLKEFLEVIID-QSNHLENLLNELLDFSRLERKSLQINREKVDLCDLVESAVNAIKEFASSHNVNVLFESNVPCPVEAYIDPTRIRQVLLNLLNNGVKYSKKDAPDKYVKVILDEKDGGVLIIVEDNGIGIPDHAKDRIFEQFYRVD---TGLGLAITKEIVELHGG-RIWVESEVGKGSRFFVWIPK- |
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General information:
TITO was launched using:
| RESULT:
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Template: 2C2A.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -97450 for 1340 contacts (-72.7/contact) +
2D Compatibility (PS) -20639 + (NN) -4836 + (LL) 24404
1D Compatibility (HY) -5600 + (ID) 1500
Total energy: -105621.0 ( -78.82 by residue)
QMean score : 0.412
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