Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MSRKYFGTDGIRGRVGEFPITPDFVLKLGWAVGMAFRRQ-GNCRVLIGKDTRSSGYMFESAFEAGLSASGADTLLLGPMPTPGIAYLTRTFHAEAGVVISASHNPHDDNGIKFFSGQGTKLPDDVELMIEELLDAP--M-TVVESARLGKVSRINDAAGRYIEFCKSSVPTSTDFNGLKVVLDCANGATYKIAPSVFRELGAEVTVLAASPNGLNINDKCGSTHLDGLQAAVVEHHADLGIAFDGDGDRVMMVDHTGAVVDGDELLFLIARDLQESGR-LQGGVVGTLMSNLGLELALQELHIPFVRAKVGDRYVMAELLARNWMLGGENSGHIVCCQNTTTGDAIIAALQVLMALKHRGQTLAEARQGIRKCPQVLINVRFKGENDPLEHPSVKEASVRVTEQMGGRGRVLLRKSGTEPLVRVMVEGDEEASVRAHAEQLAKIVSEVCA |
3PDK Chain:A ((23-466)) | --GKYFGTDGVRGVANK-ELTPELAFKIGRFGGYVLTKDTDRPKVIIGRDTRISGHMLEGALVAGLLSTGAEVMRLGVISTPGVAYLTKALDAQAGVMISASHNPVQDNGIKFFGSDGFKLTDEQEAEIEALLDKEVDELPRPTGTNLGQVSDYFEGGQKYLQYIKQTVEE--DFSGLHIALDCAHGATSSLAPYLFADLEADISTMGTSPNGMNINDGVGSTHPEVLAELVKEKGADIGLAFDGDGDRLIAVDEKGNIVDGDQIMFICAKYMKETGQLKHNTVVSTVMSNLGFYKALEANGITSDKTAVGDRYVMEEMKRGGYNLGGEQSGHIILLDYITTGDGMLSALQLVNIMKMTKKPLSELAGEMTKFPQLLVNVRVTDKKLALENEKIKEIIRVVEEEMNGDGRILVRPSGTEPLIRVMAEAPTQEVCDAYVHRIVEVVKAEV- |
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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) -287885 for 4032 contacts (-71.4/contact) +
2D Compatibility (PS) -48890 + (NN) -31060 + (LL) 480
1D Compatibility (HY) -36000 + (ID) 9750
Total energy: -413105.0 ( -102.46 by residue)
QMean score : 0.564
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