Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
| Query sequence | MKIFGTDGVRGKAGVKLTPMFVMRLGIAAGLYFKKHSQTNKILIGKDTRKSGYMVENALVSALTSIGYNVIQIGPMPTPAIAFLTEDMRCDAGIMISASHNPFEDNGIKFFNSYGYKLKEEEERAIEEIFHDEELLHSSYKVGESVGSAKRIDDVIGRYIAHLKHSFPKHLNLQKLRIVLDTANGAAYKVAPVVFSELGADVLVINDEPNGCNINEQCGALHPNQLSQEVKKYRADLGFAFDGDADRLVVVDNLGNIVHGDKLLGVLGVYQKSKNALSSQAVVATSMSNLALKEYLKSQDLELKHCAIGDKFVSECMRLNKANFGGEQSGHIIFSDYAKTGDGLVCALQ-VSALVLESKLVSSIALNPFELYPQSLVNLNI-QKKPPLES--LKGYSALLKELDQLEIRHLIRYSGTENKLRILLEAKDEKLLESKMQELKEFFEGQLC |
| 3PDK Chain:B ((24-466)) | -KYFGTDGVRGVANKELTPELAFKIGRFGGYVLTKDTDRPKVIIGRDTRISGHMLEGALVAGLLSTGAEVMRLGVISTPGVAYLTKALDAQAGVMISASHNPVQDNGIKFFGSDGFKLTDEQEAEIEALL-DKEVDELPRPTGTNLGQVSDYFEGGQKYLQYIKQTVEE--DFSGLHIALDCAHGATSSLAPYLFADLEADISTMGTSPNGMNINDGVGSTHPEVLAELVKEKGADIGLAFDGDGDRLIAVDEKGNIVDGDQIMFICAKYMKETGQLKHNTVVSTVMSNLGFYKALEANGITSDKTAVGDRYVMEEMKRGGYNLGGEQSGHIILLDYITTGDGMLSALQLVNIMKMTKKPLSELA-GEMTKFPQLLVNVRVTDKKLALENEKIKEIIRVVEEEMNGDGRILVRPSGTEPLIRVMAEAPTQEVCDAYVHRIVEVVKAEVG |
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General information:
TITO was launched using:
| RESULT:
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Template: 3PDK.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -234258 for 4022 contacts (-58.2/contact) +
2D Compatibility (PS) -47347 + (NN) -22501 + (LL) 648
1D Compatibility (HY) -34000 + (ID) 8800
Total energy: -346258.0 ( -86.09 by residue)
QMean score : 0.485
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