Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MDPTISTLDTELTPINGTEETLCYKQTLSLTVLTCIVSLVGLTGNAVVLWLLGC-RMRRNAFSIYILNLAAADFLFLSGRLIYSLLSFI-S--I-PH-TISKILYPVMMFSYFAGLSFLSAVSTERCLSVLWPIWYRCH---RPTHLSAVVCVLLWALSLLRSILEWMLCGFLFSGADSAWCQT-----SDFITVAWLIFLCVVLCGSSLVLLIRILCGSRK-------------------------------------------------------------------------------------------------------------------------------------------------------------------IPLTRLYVTILLTVLVFLLCGLPFGIQFFLFLWIHVDREVLFCHVHLVSIFLSALNSSANPIIYFFVGSFRQRQNRQNLKLVLQRALQDASEVDEGGGQLPEEILELSGSRLEQ |
3PBL Chain:A ((41-472)) | -----------------------------YALSYCALILAIVFGNGLVCMAVLKERALQTTTNYLVVSLAVADLLVATLVMPWVVYLEVTGGVWNFSRICCDVFVTLDVMMCTASIWNLCAISIDRYTAVVMPVHYQHGTGQSSCRRVALMITAVWVLAFAVSCPLLFGFNTTG---DPTVCSISNPDFVIYSSVVSFYLPFGVTVLVYARIYVVLKQRRRKNIFEMLRIDEGLRLKIYKDTEGYYTIGIGHLLTKSPSLNAAKSELDKAIGRNTNGVITKDEAEKLFNQDVDAAVRGILRNAKLKPVYDSLDAVRRAALINMVFQMGETGVAGFTNSLRMLQQKRWDEAAVNLAKSRWYNQTPNRAKRVITTFRTGTWDAYGVPLREKKATQMVAIVLGAFIVCWLPFFLTHVLNTHCQTC--HVSPELYSATTWLGYVNSALNPVIYTTFNIEF--R--KAFLKILSC----------------------------- |
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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) -245408 for 1903 contacts (-129.0/contact) +
2D Compatibility (PS) -25623 + (NN) -5091 + (LL) 3560
1D Compatibility (HY) -14800 + (ID) 2150
Total energy: -289512.0 ( -152.13 by residue)
QMean score : 0.320
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