Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MSFRINTNIAALTSHAVGVQNNRDLSSSLEKLSSGLRINKAADDSSGMAIADSLRSQSANLGQAIRNANDAIGMVQTADKAMDEQIKILDTIKTKAVQAAQDGQTLESRRALQSDIQRLLEELDNIANTTSFNGQQMLSGSFSNKEFQIGAYSNTTVKASIGSTSSDKIGHVRMETSSFSGEGMLASAAAQNLTEVGLNFKQVNGVNDYKIETVRISTSAGTGIGALSEIINRFSNTLGVRASYNVMATGGTPVQSGTVRELTINGVEIGTVNDVHKNDADGRLTNAINSVKDRTGVEASLDIQGRINLHSIDGRAISVHAASASGQVFGGGNFAGISGTQHAVIGRLTLTRTDARDIIVSGVNFSHVGFHSAQGVAEYTVNLRAVRGIFDANVASAAGANANGAQAETNSQGIGAGVTSLKGAMIVMDMADSARTQLDKIRSDMGSVQMELVTTINNISVTQVNVKAAESQIRDVDFAEESANFSKYNILAQSGSFAMAQANAVQQNVLRLLQ |
3K8W Chain:A ((44-161)) | -------------------------------------------DAAGLAISDRMTAQIKGLTQAQRNANDGISLAQTAEGALGEISNNLQRIRELAVQASNGTNTQTDRDALQAEVTQLQSEIQRVAEQTSFNGQKLLDGSFNGVQFQIGANAGETIGVSKIMNAQTASLGGSLTRTTSTIDATDLTKYDTAMAAGDLTINGVDVGKIDAASTAQERAAQLTEAINRVSSQTNVGASYDKTTGQVTLTSNAAIAVAGAANDATVAGWANNATTGTATTTTGINSLTVSSFTNAQQTITQIDNALKDINTARADLGAVQNRFTSTVANLQSMTENLSSAL------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3K8W.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -2063 for 658 contacts (-3.1/contact) +
2D Compatibility (PS) -12874 + (NN) -3486 + (LL) 10752
1D Compatibility (HY) -5600 + (ID) 2550
Total energy: -15821.0 ( -24.04 by residue)
QMean score : 0.505
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