Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
| Query sequence | MSVVAVTIFVAAYVLIASDRVNKTMVALTGAAAVVVLPVITSHDIFYSHDTGIDWDVIFLLVGMMIIVGVLRQTGVFEYTAIWAAKRARGSPLRIMILLVLVSALASALLDNVTTVLLIAPVTLLVCDRLNINTTSFLMAEVFASNIGGAAT-LVGDPPNIIV---ASR-AGL---TFNDFMLHLTPLVVIVLIALIAVLPRLFGSITV--EADR--IADVMA---LDEGEAIRDRGLL-VKCGAVLVLVFAAFVA--H--PV-LHIQP-----------SLVALLGAG-M--L----IVVS-GLTRSEYLSSVEWDT------LLFFAGLFIMVGALVKTGVVNDLARAATQLTGG-N--IVATAFLILGVSAPISGII-DNIPYVATMTPLVAELVAVMGGQPSTDTPWWALALGADFGGNLTAIGASANVVMLGIARRAGAPISFWEFTRKGAVVTAVSIALAAIYLWLRYFVLLH |
| 4R1I Chain:A ((96-507)) | ---------------------------------------------------------LGTVLVSLLGVGIAEKSGLISALMRLLLTKSPRK---LTTFMVVFTGILSNTA-SELGYVVLIPLSAVIFHSLGRHPLA-GLAAAFAGVSGGYSANLFLGTIDPLLAGITQQAAQIIHPDYVVGPEANWFFMAASTFVIALIGYFVTEKIVEPQLGPYQSDLSQEEKDIRHSNEITPLEYKGLIWAGVVFIALSALLAWSIVPADGILRHPETGLVAGSPFLKSIVVFIFLLFALPGIVYGRITRSLRGEREVVNAMAESMSTLGLYLVIIFFAAQFVAFFNWTNIGQYIAVKGAVFLKEVGLAGSVLFIGFILICAFINLMIGSASAQWAVTAPIFVPMLMLAG-Y-APEVIQAAYRIGDSVTNIITPMMSYFGLIMAT-VMKYKKDAGVGTLISMMLPYSAFFLIAWIALFCIWVFVL-- |
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General information:
TITO was launched using:
| RESULT:
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Template: 4R1I.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -287041 for 2835 contacts (-101.2/contact) +
2D Compatibility (PS) -37630 + (NN) -12294 + (LL) 5784
1D Compatibility (HY) -12400 + (ID) 2050
Total energy: -345631.0 ( -121.92 by residue)
QMean score : 0.254
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