Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MTDNHIDVLINGCGIGGAMLAYLLGRQGHRVVVVEQARRERAINGAD--------LLKPAGIRVVEAAGLLAEVTRRGGRVRHELEVYHDGELLRYFNYSSVDARGYFILMPCESLRRLVLEKIDGEATVEMLFETRIEAVQRDERHAIDQVRLNDGRVLRPRVVVGADGIASYVRRRL-----------------LDIDVERRPYPSPMLVGTFALAPCVAERNRLYVDSQGGLAYFYPIGFDRARLVVSF-PREEARELMADTRGESLRRRLQRFVGD-----ESAEAIAAVTGTSRFKGIPIGYLNLDRYWADNVAMLGDAIHNVHPITGQGMNLAIEDASALADALDLALRDACALEDALAGYQAERFPVNQAIVSYGHALATSLEDRQRFAGVFDTALQGSSRTPEALGGERSYQPVRSPAPLG |
4J33 Chain:A ((22-411)) | MSE---SVAIIGAGLVGCLAALAFSKEGYNVTLYDFRQDPRLDTTKNKNLKSINLAISARGIDALKSIDPDACEHILQDMIPMKGRMIHDLKG----RQESQLYGEAINSINRSVLNNSLLDELE-KSTTELKFGHKLVKIEWTDDKQICHFAIGTPHTEKYDFVIGCDGAYSATRSQMQRKVEMDFSQEYMNLRYIELYIPPTEEFKPNYGGNFAIAP-----DHLHIWPRHKFMLIALANSDGSFTSTFFGSKDQISDLITS--KSRVREFLIENFPDIINIMDLDDAVKRFITYPKESLVCVNCKPY-DVPGGKAILLGDAAHAMVPFYGQGMNCGFEDVRILMALLKKHSGD---RSRAFTEYTQTRHKDLVSITELAKRNYKEMSHDVT---------------------SKRFLLRK------ |
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General information:
TITO was launched using:
| RESULT:
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Template: 4J33.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -164363 for 2839 contacts (-57.9/contact) +
2D Compatibility (PS) -38194 + (NN) -16972 + (LL) 2060
1D Compatibility (HY) -8400 + (ID) 3100
Total energy: -228969.0 ( -80.65 by residue)
QMean score : 0.477
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