Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MLALLVLVTVALASAHHGGEHFEGEKVFRVNVEDENHINIIRELASTTQIDFWKPDSVTQIKPHSTVDFRVKAEDTVTVENVLKQNELQYKVLISNLRNVVEAQFDSRVRATGHSYEKYNKWETIEAWTQQVATENPALISRSVIGTTFEGRAIYLLKVGKAGQNKPAIFMDCGFHAREWISPAFCQWFVREAVRTYGREIQVTELLDKLDFYVLPVLNIDGYIYTWTKSRFWRKTRSTHTGSSCIGTDPNRNFDAGWCEIGASRNPCDETYCGPAAESEKETKALADFIRNKLSSIKAYLTIHSYSQMMIYPYSYAYKLGENNAELNALAKATVKELASLHGTKYTYGPGATTIYPAAGGSDDWAYDQGIRYSFTFELRDTGRYGFLLPESQIRATCEETFLAIKYVASYVLEHLY |
1NSA Chain:A ((1-395)) | ---------------------FEGEKVFRVNVEDENDISELHELASTRQIDFWKPDSVTQIKPHSTVDFRVKAEDILAVEDFLEQNELQYEVLINNLRSVLEAQFDSVSRTTGHSYEKYNNWETIEAWTEQVTSKNPDLISRSAIGTTFDGDNIYLLKVGKPGSNKPAIFMDCGFHAREWISQAFCQWFVRDAVRTYGYEAHMTEFLDNLDFYVLPVLNIDGYIYTWTKNRMWRKTRSTNAGSSCTGTDPNRNFNAGWCTVGASVNPCNETYCGSAAESEKETKALADFIRNNLSSIKAYLTIHSYSQMILYPYSYDYKLPENDAELNSLAKGAVKELASLYGTSYSYGPGSTTIYPAAGGSDDWAYNQGIKYSFTFELRDKGRFGFVLPESQIQATCQETMLAVKYVTNYTLEHL- |
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General information:
TITO was launched using:
| RESULT:
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Template: 1NSA.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -191986 for 3466 contacts (-55.4/contact) +
2D Compatibility (PS) -42783 + (NN) -20113 + (LL) 2248
1D Compatibility (HY) -49600 + (ID) 16000
Total energy: -318234.0 ( -91.82 by residue)
QMean score : 0.804
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