Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
| Query sequence | MSQAQPRPAAPNPKRNVKAIRTVRFWMAPIATTLALMSALAALYLGGILNPMTNLRHFPIALVNEDAGPAGQQIVDGLVSGLDKNKFDIRVVSPDEARRLLDTAAVYGSALIPPTFSSQLRDFGASAVTPTRTDRPAITISTNPRAGTLAASIAGQTLTRALTVVNGKVGERLTAEVAAQTGGVALAGAAAAGLASPIDVKSTAYNPLPNGTGNGLSAFYYALLLLLAGFTGSIVVSTLVDSMLGYVPAEFGPVYRFAEQVNISRFRTLLVKWAVMVVLALLTSGVYLAIAHGLGMPIPLGWQVWLYGVFAIIAVGV-TSSSLIAVLGSMGLLVSMLIFVILGLPSAGATVPLEAVPAFFRWLAQFEPMHQVFLGVRSLLYLNGN-ADAGLSQALTMTSIGLIIGLLLGGFITHLYDRSSFHRIPGAVEMAIAVEHQAQYQARQSARESSSEQP |
| 4BVA Chain:A ((24-334)) | ----KRAPAFLSAEEVQDHLRSSSLLIPPLEAALANFSK----------------------------GPDG-----GVMQ-------PVRTVVPVAKHR--------GFLGVMPAYSAA-EDALTTKLVTFYESHQASVLLFDPSNGSLLAVMDG--------------------NVITAKRTAAVSAIATKLLKPP-------------GSD--------VLCILGAGVQAYSHYEIFTEQ------------FSFKEVRMWNRTRENAEKFASTV-----QGDVRVC----------SSVQEAVTGADVIITVTMATEPILFGEWVKPGAHINAV----------GASRP------DWREL-DDELMRQAVLYVDSREAALKESGDVLLSGADIFAELGEVIS---GAKPAHCEKTTVFKSLGMAVEDLVAAKLVYDSWSSG---------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 4BVA.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -208999 for 2698 contacts (-77.5/contact) +
2D Compatibility (PS) -31446 + (NN) -1258 + (LL) 10948
1D Compatibility (HY) -5200 + (ID) 3750
Total energy: -239705.0 ( -88.85 by residue)
QMean score : 0.250
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