Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MLQRGAGQYFAGKRCFVTGAASGIGRATALRLAAQGAELYLTDRDRDGL--AQTVCDARALGAQVPEHRVLDVSDYQDVAAFAADIHARHPSMDVVLNIAGVSAWGTVDQLTHDQWSRMVAINLMGPIHVIETLVPPMVAAGRGGHLVNVSSAAGLVGLP-WHAAYSASKYGLRGLSEVLRFDLARHGIGVSVVVPGAVKTPLVNTVEIAGVDRDDPRVNRWVERF---SGHAVTPEKAADKILAGVTRNRYLVYTSADIRALYAFKRYAWWPYTLVMRRVNVFFTRALRPGP |
4YAG Chain:A ((3-225)) | ---------IAGTTAFITGGASGIGFGIAQRLLANGARLVLADIRQDHLDEARQFFEERQQGRNVHTIR-LDVSDRAQMAEAARECEAVMGGPDILINNAGIDPSGPFKDATYQDWDYGLAINLMGPINGIMAFTPGMRARGRGGHIVNTASLAGLTPMPSFMAIYATAKAAVITLTETIRDSMAEDNIGVTVLMPGPIKS----RIHESGQNRP--------ERFRAGSGLAETEQQLAKRVVA------------------------------------------------ |
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General information:
TITO was launched using:
| RESULT:
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Template: 4YAG.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -114898 for 1863 contacts (-61.7/contact) +
2D Compatibility (PS) -22917 + (NN) -2772 + (LL) 5408
1D Compatibility (HY) -11600 + (ID) 4500
Total energy: -151279.0 ( -81.20 by residue)
QMean score : 0.499
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