Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MESPASSQPASMPQSKGKSKRKKDLRISCMSKPPAPNPTPPRNLDSRTFITIGDRNFEVEADDLVTISELGRGAYGVVEKVRHAQSGTIMAVKRIRATVNSQEQKRLLMDLDINMRTVDCFYTVTFYGALFREGDVWICMELMDTSLDKFYRKVLDKNMTIPEDILGEIAVSIVRALEHLHSKLSVIHRDVKPSNVLINKEGHVKMCDFGISGYLVDSVAKTMDAGCKPY-MAPERINPE-LNQKGYNVKSDVWSLGITMIEMAILRFPYESWGTPFQQLKQVVEEPSPQLPADRFSPEFVDFTAQCLRKNPAERMSYLELMEHPFFTLHKTKKTDIAAFVKEILGEDS |
4USE Chain:B ((24-280)) | ------------------------------------------------------------------VGELGDGAFGKVYKAKNKETGALAAAKVIE-----EELEDYIVEIEI-LATCDHPYIVKLLGAYY-----WIMIEFCPGGAVDAIMLELDRGLTEPQ--IQVVCRQMLEALNFLHSK-RIIHRDLKAGNVLMTLEGDIRLADFGVSAKNLKTLQK------TPYWMAPEVVMCETMKDTPYDYKADIWSLGITLIEMAQIEPPHHELNPMRVLLKIAKSDPPTLLTPSKWSVEFRDFLKIALDKNPETRPSAAQLLEHPFVSSITSNKALRELVAEAKAEVME |
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General information:
TITO was launched using:
| RESULT:
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Template: 4USE.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -117747 for 1728 contacts (-68.1/contact) +
2D Compatibility (PS) -25192 + (NN) -6675 + (LL) 3076
1D Compatibility (HY) -18400 + (ID) 4450
Total energy: -169388.0 ( -98.03 by residue)
QMean score : 0.406
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