Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MSGPRAGFYRQELNKTVWEVPQRLQGLRPVGSGAYGSVCSAYDARLRQKVAVKKLSRPFQSLIHARRTYRELRLLKHLKHENVIGLLDVFTPA-TSIEDFSEVYLVTTLMGADLNNIVKC-QALSDEHVQFLVYQLLRGLKYIHSAGIIHRDLKPSNVAVNEDCELRILDFGLARQAD---EEMTGYVATRWYRAPEIMLNWMHYNQTVDIWSVGCIMAELLQGKALFPGSDYIDQLKRIMEVVGTPSPEVLAKISSEHARTYIQSLPPMPQKDLSSIFRG--ANPLAIDLLGRMLVLDSDQRVSAAEALAHAYFSQYHDPEDEPEA-EPYDESVEAKERTLEEWKELTYQEVLSFKPPEPPKPPGSLEIEQ |
4O2Z Chain:A ((35-377)) | -----------NVSGSPFEVPSKYTLLKILGMGAYGIACSCLDGDTGEKVSIKKCRDVFRDVEDGKRVLREIDMMRFFHHENLLNVVNILPPLKREYHSFEDVYVVTPLMDVDMNVVLRSRQVLEESHMQYFVYQILRGLKYLHSANVAHRDLKPANLVTNISCELKIIDFGLSRS--VPYSELTDYVITRWYRPPELLLENTNYSTAVDIWSVGCIFAEMYNRKPVFPGRNTMDQLRMIAQHIGKPPASIVE---HREALEKLNELPD-GSLNIPKLVPGLAGNTEGIDFLSKMWTLDPSKRPTAADMLAHPYLAHLHDEEDEPTCPCPFLWAHESTPMGVSELRRAFWADIVDYNP-------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 4O2Z.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -183328 for 2580 contacts (-71.1/contact) +
2D Compatibility (PS) -34689 + (NN) -8669 + (LL) 876
1D Compatibility (HY) -34400 + (ID) 6400
Total energy: -266610.0 ( -103.34 by residue)
QMean score : 0.439
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