Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | METGKSDVLDKIEKINKKDSALQEIIPKGYEIEHHQCGVALYQLIPSKKEGEPDKKVFITNTIPQITERFEDIESNEVSFNMLFYDNKTPVNIAVSAEEISDSRQLLKLVNKKLDVTSSTSTKLVDYINVSKRYNPPLNVKVATRLGHVKGYFIYPYQEVMKDSNVKLFSNDKGFQKLIDSFRSKGTLQGYSKKVFAQIKDLPMVMVMLYASLGSVLLREFGLQPFIVEISGSTSTGKTFTLNLVSSVWGTSDLITTWSSTQNSIESMASFLNSFPMFKDDTRNTHPKFVTSTTYNFSSGESKSRSNINLTLNAKKEWRNILISTGESSIANMADEKAGVSARVVTLQDPPYPDNFDFTTLDKSFRENYGTLGLAFIKQYESKKDVYKNAFESYQRYFNQKGSNEIMQRLGRAFALLQVTGEVLNDIDGFEHDHFKIIEQAYDSMVKNNKTIDKPKQLLEELLQYLDANRNNIVGDGYD---SVNYGDVKAVYK---HDFLCIKNETVKNKLGHEMQTITGQW-----DKKGYLIKDKKRIQKQVKHKSQRHLGYAIKKEIIEELGFDFSISHNPYTESY |
2A0S Chain:A ((59-153)) | -------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------RGNIQGDGYVIDFSILKEKVRKVCKQLDHHFILPMYSDVLN-----IQEVNDNFKITCEDNSEYSFPKRDCVQIPIKHSSTEEIGLYILNQLIEEIDLPF----------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 2A0S.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -3898 for 411 contacts (-9.5/contact) +
2D Compatibility (PS) -8786 + (NN) 478 + (LL) 29844
1D Compatibility (HY) -8400 + (ID) 1400
Total energy: 7838.0 ( 19.07 by residue)
QMean score : 0.229
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