Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MGNWTAAVTEFVLLGFSLSREVELLLLVLLLPTFLLTLLGNLLIISTVLSCSRLHTPMYFFLCNLSILDILFTSVISPKVLANLGSRDKTISFAGCITQCYFYFFLGTVEFLLLTVMSYDRYATICCPLRYTTIMRPSVCIGTVVFSWVGGFLSVLFPTILISQLPFCGSNIINHFFCDSGPLLALACADTTAIELMDFMLSSMVILCCIVLVAYSYTYIILTIVRIPSA-----------------------------------------------------------------------------------------------------------------------------------------------------------------SGRKKAFNTCASHLTIVIIPSGITVFIYVTPSQKEY--LEINKIPLVLSSVVTPFLNPFIYTLRNDTVQGVLRDVWVRVRGVFEKRMRAVLRSRLSSNKDHQGRACSSPPCVYSVKLQC |
3RZE Chain:A ((9-443)) | -----------------------MPLVVVLSTICLVTVGLNLLVLYAVRSERKLHTVGNLYIVSLSVADLIVGAVVMPMNILYLLMSKWSLGRPLCLFWLSMDYVASTASIFSVFILCIDRYRSVQQPLRYLKYRTKTRASATILGAWFLSFLWVIPILG-WNH--------RREDKCETDFYD---------VTWFKVMTAIINFYLPTLLMLWFYAKIYKAVRQHCNIFEMLRIDEGLRLKIYKDTEGYYTIGIGHLLTKSPSLNAAKSELDKAIGRNTNGVITKDEAEKLFNQDVDAAVRGILRNAKLKPVYDSLDAVRRAALINMVFQMGETGVAGFTNSLRMLQQKRWDEAAVNLAKSRWYNQTPNRAKRVITTFRTGTWDAYLHMNRERKAAKQLGFIMAAFILCWIPYFIFFMVIAFCKNCCNEHLHMFTIWLGYINSTLNPLIYPLCNENFKKTFKRILHI----------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3RZE.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -225978 for 1941 contacts (-116.4/contact) +
2D Compatibility (PS) -25534 + (NN) 3403 + (LL) 5824
1D Compatibility (HY) -21200 + (ID) 2450
Total energy: -265935.0 ( -137.01 by residue)
QMean score : 0.264
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