Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
| Query sequence | MSKFDSQKIITPIMKFVNMRGIIALKDGMLAILPLTVVGSLFLILGQLPFKGLNQAIANVFGPEWTEPFMQVYSGTFAIMGLISCFAIAYAYAKNSSVEPLPAGVLSLSSFFILMKSSYIPVKGEAIADAISKVWFGGQGIIGAIIIGLVVGAIYTWFIQHHIVIKMPEQVPQAIAKQFEAMIPAF----VIF-LLSMIVYLIAKVTTGGTFIEMIYDIIQVPLQGLTG-SLYGAIGIAFFISFLWWFGVHGQSVVNGIVTALLLSNLDANKSLLAANRLTLDNGAHIVTQQFLDSFLILSGSGITFGLVIAMLFAAKSKQYKALGKVAAFPAIFNVNEPIVFGFPIVMNPVMFLPFILVPVLAALIVYGAIAVGFMQPFSGVTLPWSTPAIISGFMVG-GWQGALV-QIVILAISTAVYFPFFKIQDN-ITYKNECEMERG---- |
| 5AFR Chain:A ((8-410)) | ------------------------LANELIEFVAATVTGI------KNSPKENEQAFIDYLHCQYLERF-QFFLGLFVFLFIVTIDIAIYDANLANSTLLIIKQISAIYN-----AGNLASIITHGVSSVFGQLIKSD--------------------------IDKTRRKLDDISKQFQQLHTSIETPDLLAMVPSIIKLAVSKGATSHDYANYL------PSNDLESMR---FLNILQSIANKWFLVLKQT---------LFLDEVEFWSNFYEVLKSLIEQTQ---SQEFQVCLSVLTNAKRFHNLTNLLNEGSLSDKFKLADKYNQFLSSIPIDEDLQELFPVLASSLKKFRYSGYPV-------------------------------QRFVVLMDKISQEVMDAILSNLSYGSFLGLYEKSAGMIEEWDDIVQDVNLLIR |
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General information:
TITO was launched using:
| RESULT:
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Template: 5AFR.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -130388 for 1872 contacts (-69.7/contact) +
2D Compatibility (PS) -32999 + (NN) -1590 + (LL) 11240
1D Compatibility (HY) -16000 + (ID) 2400
Total energy: -172137.0 ( -91.95 by residue)
QMean score : 0.074
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