Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
| Query sequence | MSFRINTNIAALTSHAVGVQNNRDLSSSLEKLSSGLRINKAADDSSGMAIADSLRSQSANLGQAIRNANDAIGMVQTADKAMDEQIKILDTIKTKAVQAAQDGQTLESRRALQSDIQRLLEELDNIANTTSFNGQQMLSGSFSNKEFQIGAYSNTTVKASIGSTSSDKIGHVRMETSSFSGEGMLASAAAQNLTEVGLNFKQVNGVNDYKIETVRISTSAGTGIGALSEIINRFSNTLGVRASYNVMATGGTPVQSGTVRELTINGVEIGTVNDVHKNDADGRLTNAINSVKDRTGVEASLDIQGRINLHSIDGRAISVHAASASGQVFGGGNFAGISGTQHAVIGRLTLTRTDARDIIVSGVNFSHVGFHSAQGVAEYTVNLRAVRGIFDANVASAAGANANGAQAETNSQGIGAGVTSLKGAMIVMDMADSARTQLDKIRSDMGSVQMELVTTINNISVTQVNVKAAESQIRDVDFAEESANFSKYNILAQSGSFAMAQANAVQQNVLRLLQ |
| 3K1I Chain:C ((28-97)) | -------------------------------------------------------QQIAKFSRDMKNINESVGALQVLQIACKKLFNKSMGLEDKDA----------------LQASIIKQELREIVENCQFLASPLFDTQLNIAINDEIFSMIVVNPLDLLENVGEFQAYLEEKLNEIKELLGYLSESL------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------ |
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General information:
TITO was launched using:
| RESULT:
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Template: 3K1I.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -6024 for 340 contacts (-17.7/contact) +
2D Compatibility (PS) -7650 + (NN) -3255 + (LL) 22596
1D Compatibility (HY) -2800 + (ID) 600
Total energy: 2267.0 ( 6.67 by residue)
QMean score : 0.604
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