Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MQGARAPRDQGRSPGRMSALGRSSVILLTYVLAATELTCLFMQFSIVPYLSRKLGLDSIAFGYLQTTFGVLQLLGGPVFGRFADQRGARAALTLSFLAALALYLLLAAASSPALPGVYLLFASRLPGALM------HTLPAAQMVITDLSAPEERPAALGRLGLCFGVGVILGSLLGGTLVSAYGIQCPAILAALATLLGAVLSFTCIPASTKGAKTDAQAPLPGGPRASVFDLKAIASLLRLPDVPRIFLVKVASNCPTGLFMVMFSIISMDFF--QLEAAQAGYLMSFFGLLQMVTQGLVIGQLSSHFSEEVLLRASVLVFIVVGLAMAWMSSVFHFCLLVPGLVFSLCTLNVVTDSMLIKAVSTSDTGTMLGLCASV-QPLLRTLGPTVGGLLYRSFGV-PVFGHVQVAINTLVLLVLWRKPMPQRKDKVR------- |
1PV6 Chain:A ((1-417)) | ----------------MYYLKNTNFWMFGLFFFFYFFIMGAYFPFFPIWLHDINHISKSDTGIIFAAISLFSLLFQPLFGLLSDKLGLRKYLLWIITGMLVMFAPFFIFI-FGPLLQYNILVGSIVGGIYLGFCFNAGAPAVEAFIEKVSRRSNFE--FGRARMFGCVGWALGASIVGIMFTI-NNQFVFWLGSGCALILAVLLFFAKTDAPSSATVANAVG----ANHSAFSLKLALELFRQPKLWFLSLYVIGVSCTYDVFDQQFANFFTSFFATGEQGTRVFGYVTTMGELLNASIMFFAPLIINRIGGKNALLLAGTIMSVRIIGSSFATSALEVVILKTLHMFEVPFLLVGCFKYITSQFEVRFSATIYLVCFCFFKQLAMIFMSVLAGNMYESIGFQGAYLVLGLVALGFTLISVFTLSGPGPLSLLRRQVNEVA |
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General information:
TITO was launched using:
| RESULT:
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Template: 1PV6.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -337192 for 3296 contacts (-102.3/contact) +
2D Compatibility (PS) -40580 + (NN) -12793 + (LL) 280
1D Compatibility (HY) -25200 + (ID) 3350
Total energy: -418835.0 ( -127.07 by residue)
QMean score : 0.266
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