Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | --MSVVAVTIFVAAYVLIASDRVNKT-------MVALTGAAAVVVLPVITSHDIFYSHDTGIDWDVIFLL-VGMMIIVGVLRQTGVFEYTAIWAAKRARGSPLRIMILLVLVSALASALLDNVTTVLLIAPVTLLVCDRLNINTTSFLMAEVFASNIGGAATLVGDPPNIIVASRAGLTFNDFMLHLTPLVVIVLIALIAVLPRLFGSITVEADRIADVMA--------LDEGEAIRDR--GLLVKCGAVLVLVFAAFVAHPVLHIQPSLVALLGAGMLIVVSGLTRSEYLSSVE---------WDTLLFFAGLFIMVGALV-----------------KTGVVNDLARAATQLTGG----NIVATAFLILGVSAPISGIIDNIPYVATMTPLV---------AELVAVMGGQPSTDTPWWALA-----LGADFGGNLTAIGASANVVMLGIARRAGAP------ISFW----EFTRKGAVVTAVSI----ALAAIYLWLRYFVLLH-- |
4GA6 Chain:A ((1-493)) | MKAKIRILDMFSGRYTVLINEEDAKEAKLHPDDLVKIEAGKKAVYGSVALSNLVG-KGEVGISRDVLDLHNFSEGETVSVIPAGT--PESVRYIKKKMHGEKLRKVEIEAIVRDIVD---RKLRDIEISSFVTALEINGLDMDEIAALTIAMAET---GDMLDIDRKPIMDVHSIGGVPGN----KTNILVVPIVAAAGLTIPKTSSRAITSAAGTADVVEVFADVSFSLDEIKRIVEKVGACLVWGGALNLAPADDITIKAERALSIDPTGLMLASIMSKKYAMGSQYVLIDIPTGKGVKVETVEEARSLARDFIELGKRLGQYVEVAITYGGQPIGHTVGPALEAREALSALMTGKGPGSLIEKATGLAGILLEMGGVAPAGTGKKMAKEILESGKAWEKMKEIIEAQGGDPNIKPEEIPIGDKTYTFTAATSGYVTAID---NRAITAIARAAGAPEDKGAGIELYVKVGEKVKEGDPLFTIHAEHEARLDQAIVLARRTEPIRIE |
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General information:
TITO was launched using:
| RESULT:
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Template: 4GA6.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -465719 for 3446 contacts (-135.1/contact) +
2D Compatibility (PS) -44079 + (NN) -19297 + (LL) 1564
1D Compatibility (HY) -5200 + (ID) 4150
Total energy: -536881.0 ( -155.80 by residue)
QMean score : 0.273
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