Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MRKTIFAFLTGLMMFGTITAASASPDSKNQTAKKPKVQTGIDTLLPDYKKQLKGKRIGLITNPAGVNTSLKSSVDILYENPDIKLTALFGPEHGVRGDAQAGDEVGSYIDEKTGVPVYSLYGKTKKPTPEMLKNVDILMFDIQDVGTRFYTYIYTMAYAMEAAKENGIPFMVLDRPNPQGGNHIEGPILEPEYASFVGLYPIPLKHGMTIGELASLFNKEFSIDADLTVVKMKHWKRKMDFDDTRLPFVLPSPNMPTVESTFVYPATGLIEGTNISEGRGTTKPFELIGAPFIKSTELEETLNSLHLPGVTFRAASFTPTFSKHQGTLCHGVQLYVTDRDKFEAVKTGLSVIKTIHDLYPEDFEFLSTGSFDKLAGNGWIRTKIENGTSVENIINSYEKTLQQFSKTRKKYLIY |
3PDW Chain:A ((2-50)) | ----------------------------------------------------------------------------------------------------------------------------------SLKTYKGYLIDLDGTMYNGTEKIEEACEFVRTLKDRGVPYLFV------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3PDW.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -24602 for 190 contacts (-129.5/contact) +
2D Compatibility (PS) -4886 + (NN) -1191 + (LL) 19272
1D Compatibility (HY) -1600 + (ID) 350
Total energy: -13357.0 ( -70.30 by residue)
QMean score : 0.233
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