Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MARIPEEVIDQVRNQADIVDIIGNYVQLKKQGRNYSGLCPFHGEKTPSFSVSPEKQIFHCFGCGKGGNVFSFLMEHDGLTFVESVKKVADMSHLDVAIELPEERDTSNLPKETSETAKMVEMHQLTAKLYHYILMETEEGTAALTYLKERGMSEQMMTTFQIGFAPNHHATITSFLEKRGMDLQLAGAAGLLSERDDGQMVDRFRNRIMFPITNDRGQIIAFSGRLFDRDDGPKYLNSPETPVFNKRRILFHFSEARQAIRKQEEITLMEGFMDVISAEEAGVQNAVASMGTSLTEEHADLIKRLTNRAIICYDGDRAGIEAAYKA--GTLLVERNRLDVFVLQLPAGKDPDDFIRASGPEKFKEVYKQQRMTWTAFKIHYLRKERNLQNETEQIGYIDDCLREIAKLDQAVERELYLKQLADEFELTIETLKQQLQQSLKNSQKSRQMASYNEPPIDDSFMGMMPQEGAEMLFSFEQPAQKLSAHTISEQQLMKAMMESRDNFLLIKQLLGDTTFYHDNYEALYTYLIGYFAEGNDADPTKFMDSVPDAAMKGLISSLEMVISPDEQGKPQFEDYIRSLKRYKLEQKKKELEQELATYNRENDNENEIRVMLEIVQLNRQLNSGQLD |
1DDE Chain:A ((42-287)) | --------------------------------------------------------------------------------------------------------------------------------------------TSARQYLEKRGLSHEVIARFAIGFAPPGWDNVLKRFGGNPENRQSLIDAGMLVTN---RSYDRFRERVMFPIRDKRGRVIGFGGRVLG-NDTPKYLNSPETDIFHKGRQLYGLYEAQQDNAEPNRLLVVEGYMDVVALAQYGINYAVASLGTSTTADHIQLLFRATNNVICCYDGDRAGRDAAWRALETALPYMTDGRQLRFMFLPDGEDPDTLVRKEGKEAF-EARMEQAMPLSAFLFNSLMPQVDL------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------ |
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General information:
TITO was launched using:
| RESULT:
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Template: 1DDE.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -99335 for 1851 contacts (-53.7/contact) +
2D Compatibility (PS) -25431 + (NN) -6528 + (LL) 27136
1D Compatibility (HY) -18000 + (ID) 4900
Total energy: -127058.0 ( -68.64 by residue)
QMean score : 0.458
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