Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MQFHSSSALITPFKKDLSVDEAAYETLIKRQIFQGMDACVPVGTTGESATLTHKEHMRCIEIAIETCKSTKTPSNSRMKVLAGVGSNATSESLSLAKFAQKIGADAILCVSPYYNRPTQQGLFEHYKTIAQSVEIPVMLYDVPSRTGVSIEVPTALKLFREVPNIKAIKEASGSLKRVTE-LHYYEKDFKIFSGEDSLNHSIMFSGGCGVISVTGNLMPNLISQMVNCALKFEYQQALEIQNKLFDLHQALFVETNPIPIKMAMHLAGLIENPSYRLPLVAPSKETIKLLEKTLQQYEVIA |
3NOE Chain:A ((5-292)) | ----SMVALVTPFDAQGRLDWDSLAKLVDFHLQDGTNAIVAVGTTGESATLDVEEH-------IQVVRRVVDQVKGRIPVIAGTGANSTREAVALTEAAKSGGADACLLVTPYYNKPTQEGMYQHFRHIAEAVAIPQILYNVPGRTSCDM-LPETVERLSKVPNIIGIKEATGDLQRAKEVIERVGKDFLVYSGDDATAVELMLLGGKGNISVTANVAPRAMSDLCAAAMRGDAAAARAINDRLMPLHKALFIESNPIPVKWALHEMGLIPE-GIRLPLTWLSPHCHDPLRQAMRQTGVLA |
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General information:
TITO was launched using:
| RESULT:
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Template: 3NOE.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -165174 for 2548 contacts (-64.8/contact) +
2D Compatibility (PS) -30988 + (NN) -16674 + (LL) 1488
1D Compatibility (HY) -22000 + (ID) 5950
Total energy: -239298.0 ( -93.92 by residue)
QMean score : 0.476
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