Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MKKTILLSLSLSLASSLLHAEDNGFFVSAGYQIGEAVQMVKNTGELKNLNEKYEQLSQYLNQVASLKQSIQNANNIELVNSSLNYLKSFTNNNYNSTTQSPIFNAVQAVITSVLGFWSLYAGNYLTFFVVNKDTQKPASVQGNPPFSTIVQNCSGIENCAMNQTTYDKMKKLAEDLQAAQQNATTKANNLCALSGCATTQGQNPSSTVSNALNLAQQLMDLIANTKTAMMWKNIVIAGVSNVSGAIDSTGYPTQYAVFNNIKAMIPILQQAVTLSQSNHTLSASLQAQATGSQTNPKFAKDIYAFAQNQKQVISYAQDIFNLFSSIPKDQYRYLEKAYLKIPNAGKTPTNPYRQEVNLNQEIQTIQNNVSYYGNRVDAALSVAKDVYNLKSNQTEIVTTYNNAKNLSQEISKLPYNQVNTKDIITLPYDQNAPAAGQYNYQINPEQQSNLSQALAAMSNNPFKKVGMISSQNNNGALNGLGVQVGYKQFFGESKRWGLRYYGFFDYNHGYIKSSFFNSSSDIWTYGGGSDLLVNFINDSITRKNNKLSVGLFGGIQLAGTTWLNSQYMNLTAFNNPYSAKVNASNFQFLFNLGLRTNLATAKKKDSERSAQHGVELGIKIPTINTNYYSFLGTKLEYRRLYSVYLNYVFAY |
4NUR Chain:A ((341-389)) | ------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------SLQRDMYRYINDETLRLANKGYTMTE-IAEQVKLPKKIATKFSNRGYYGSLNHNVKATYVLYLGWFIGNPATLWELPPADKAKRYVEMMGGADAVLKKAKEYYDKGDFRWVAEVVNHVVFAEPNNQAAKNMQADALEQLGYQAESGPWRNFYLTGAQELRNGVQQLPTPDTASPDTVKAMDLDLFFDFLAMRLKGPDVADKHITLNLDFTDLKQKYTLEMVNGVLNHTEGMQAKNADATVTLTRETLNNVMLKQTTLKDAESSGDIKIEGDKGKLEELMSYMDNFDFWFNIVTP--------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 4NUR.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) 5758 for 256 contacts (22.5/contact) +
2D Compatibility (PS) -5092 + (NN) 368 + (LL) 24012
1D Compatibility (HY) -3600 + (ID) 900
Total energy: 20546.0 ( 80.26 by residue)
QMean score : 0.607
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