Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MALSYRVSELQSTIPEHILQSTFVHVISSNWSGLQTESIPEEMKQIVEEQGNKLHWAALLILMVIIPTIGGNTLVILAVSLEKKLQYATNYFLMSLAVADLLVGLFVMPIALLTIMFEAMWPLPLVLCPAWLFLDVLFSTASIMHLCAISVDRYIAIKKPIQANQYNSRATAFIKITVVWLISIGIAIPVPIKGIETDVDNPNNITCVLTKERFGDFM------LFGSLAAFFTPLAIMIVTYFLTIHALQKKAYLVKNKPPQRLTWLTVSTVFQRDETPCSSPEKVAMLDGSRKDKALPNSGDETLMRRTSTIGKKSVQTISNEQRASKVLGIVFFLFLLMWCPFFITNITLVLCDSCNQTTL-QMLLEIFVWIGYVSSGVNPLVYTLFNKTFRDAFGRYITCNYRATKSVKTLRKRSSKIYFRNPMAENSKFFKKHGIRNGINPAMYQSPMRLRSSTIQSSSIILLDTLLLTENEGDKTEEQVSYV |
3ZPQ Chain:A ((15-300)) | ---------------------------------------------------------SLLMALVVLLIVAGNVLVIAAIGSTQRLQTLTNLFITSLACADLVVGLLVVPFGA-TLVVRGTWLWGSFLCELWTSLDVLCVTASIETLCVIAIDRYLAITSPFRYQSLMTRARAKVIICTVWAISALVSF-LPIMMHWWRDEDPQALKC-YQDPGCCDFVTNRAYAIASSIISFYIPLLIMI---FVALRVYRE------------------------------AKEQ-------------------------SRV------MLMREHKALKTLGIIMGVFTLCWLPFFLVNIVNVF----NRDLVPDWLFVAFNWLGYANSAMNPIIYCR-SPDFRKAFKRLLA------------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3ZPQ.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -249497 for 1997 contacts (-124.9/contact) +
2D Compatibility (PS) -26822 + (NN) -4946 + (LL) 14376
1D Compatibility (HY) -33600 + (ID) 5050
Total energy: -305539.0 ( -153.00 by residue)
QMean score : 0.284
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