Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MDTGPDQSYFSGNHWFVFSVYLLTFLVGLPLNLLALVVFVGKLRCRPVAVDVLLLNLTASDLLLLL-FLPFRMVEAANGMHWPLPFILCPLSGFIFFTTIYLTALFLAAVSIERFLSVAHPLWYKTR---PRLGQAGLVSVACWLLASAHCSVVYVIEFSGDISHSQGTNGTCYLEFWKDQLAILLPVRLEMAVVLFVVPLIITSYCYSRLVWILGRGGSH-------------------------------------------------------------------------------------------------------------------------------------------------------------------RRQRRVAGLVAATLLNFLVCFGPYNVSHVVGYICGE---SPVWRIYVTLLSTLNSCVDPFVYYFSSSGFQADFHELLRRLCGLWGQWQQESSMELKEQKGGEEQRADRPAERKTSEHSQGCGTGGQVACAEN |
3PBL Chain:A ((41-472)) | ----------------YALSYCALILAIVFGNGLVCMAVLKE-RALQTTTNYLVVSLAVADLLVATLVMPWVVYLEVTGGVWNFSRICCDVFVTLDVMMCTASIWNLCAISIDRYTAVVMPVHYQHGTGQSSCRRVALMITAVWVLAFAVSCPLLFGF--NTT----GDPTVCSISNPD------FVI--YSSVVSFYLPFGVTVLVYARIYVVLKQRRRKNIFEMLRIDEGLRLKIYKDTEGYYTIGIGHLLTKSPSLNAAKSELDKAIGRNTNGVITKDEAEKLFNQDVDAAVRGILRNAKLKPVYDSLDAVRRAALINMVFQMGETGVAGFTNSLRMLQQKRWDEAAVNLAKSRWYNQTPNRAKRVITTFRTGTWDAYGVPLREKKATQMVAIVLGAFIVCWLPFFLTHVLNTHCQTCHVSPELYSATTWLGYVNSALNPVIYTTFNIEFRKAFLKILSC----------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3PBL.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -249020 for 1987 contacts (-125.3/contact) +
2D Compatibility (PS) -26787 + (NN) -8460 + (LL) 4084
1D Compatibility (HY) -20800 + (ID) 3050
Total energy: -304033.0 ( -153.01 by residue)
QMean score : 0.309
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