Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MSFRINTNIAALTSHAVGVQNNRDLSSSLEKLSSGLRINKAADDSSGMAIADSLRSQSANLGQAIRNANDAIGMVQTADKAMDEQIKILDTIKTKAVQAAQDGQTLESRRALQSDIQRLLEELDNIANTTSFNGQQMLSGSFS-NKEFQIGAYSNTTVKASIGSTSSDKIGHVRMETSSFSGEGMLASAAAQNLTEVGLNFKQVNGVNDYKIETVRISTSAGTGIGALSEIINRFSNTLGVRASYNVMATGGTPVQSGTVRELTINGVEIGTVNDVHKNDADGRLTNAINSVKDRTGVEASLDIQGRINLHSIDGRAISVHAASASGQVFGGGNFAGISGTQHAVIGRLTLTRTDARDIIVSGVNFSHVGFHSAQGVAEYTVNLRAVRGIFDANVASAAGANANGAQAETNSQGIGAGVTSLKGAMIVMDMADSARTQLDKIRSDMGSVQMELVTTINNISVTQVNVKAAESQIRDVDFAEESANFSKYNILAQSGSFAMAQANAVQQNVLRLLQ |
3PWX Chain:A ((2-113)) | ---------------------------------------SLSDDPMASIKLLNLERENSAIAQYQSNIANLKTTLSSQETHLDSVSESLKSMRDIVLWGANGSLTDQDRSGMITELKSYRDSIESSFNAQDEEGHFLFSGTKTDTAALNKSSGAYVVEGNSDVRVVTVAKGVTMDSNMTAQEILDIGGGKNVLNQIDALIAEFEKPSPNFQAEVDASLNAIDDTMANVLGAMTEIGGRHNNLDLMDGAHSENKLFVDKVSGDL------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------ |
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General information:
TITO was launched using:
| RESULT:
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Template: 3PWX.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) 13753 for 557 contacts (24.7/contact) +
2D Compatibility (PS) -12135 + (NN) -4697 + (LL) 15784
1D Compatibility (HY) -400 + (ID) 700
Total energy: 11605.0 ( 20.83 by residue)
QMean score : 0.475
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