Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
| Query sequence | MPDTSPDLPAMSPLAVYRQAVEQRGFAPDEAQRRAAEALERCFQAL---HEAHRHGAIQGVYLWGPVGRGKTWLMDHFYQCLRVPARRQHFHHFMQWVHQRQFELTGTADPLRALARELARDVRVLCFDELFVSDIGDAILLGSLLRIMFEEGVVLVATSNQPPEQLYADGF---------------NRERFLPAIEAIQRHMAVVAVDGGQDHRLHPGRAEQR--YWVVEAGQASGFAELFARLSAGEAASTQPIELGHRPLAVHR----HSESVLWCSYAQLCEAPLSALDFIGLCDRYRAILMDDLPCLSASQREGRIARGTE-DGAQLVEAGDRELPQLSVHDDGVRRFIALVDECYD-------RKVPLYLEARVPLEALYTEGYLAFAFRRTLSRLREMQLARFGSDSAG---- |
| 1E94 Chain:E ((7-449)) | ---HSEMTPREIVSELDKHIIGQ-----DNAKRSVAIALRNRWRRMQLNEELRHEVTPKNILMIGPTGVGKTEIARRLAKLANAPFIKVEATKFTEVGYVGK-EVDSIIRDLTDAAVKMVRVQAIEKNRYRAEELAEERILDVLIPPAKNNWGQTEQQQEPSAARQAFRKKLREGQLDDKEIEKQKARKLKIKDAMKLLIEEEAAKLVNPEELKQDAIDAVEQHGIVFIDEIDKICKRGESSGPDVSREGVQRDLLPLVEGCTVSTKHGMVKTDHILFIASGAFQIAKPSDL-IPELQGRLP--IRVELQALTTSDFERILTEPNASITVQYKALMATEGVNIEFTDSGIKRIAEAAWQVNESTENIGARRLHTVLERLMEEISYDASDLSGQNITIDADYVSKHLDALVADEDLSRFIL |
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General information:
TITO was launched using:
| RESULT:
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Template: 1E94.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -105429 for 2796 contacts (-37.7/contact) +
2D Compatibility (PS) -38913 + (NN) -1207 + (LL) 460
1D Compatibility (HY) 2800 + (ID) 2700
Total energy: -144989.0 ( -51.86 by residue)
QMean score : 0.221
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