Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MLRWLRDFVLPTAACQDAEQPTRYETLFQALDRNGDGVVDIGELQEGLRNLGIPLGQDAEEKIFTTGDVNKDGKLDFEEFMKYLKDHEKKMKLAFKSLDKNNDGKIEASEIVQSLQTLGLTISEQQAELILQSIDVDGTMTVDWNEWRDYFLFNPVTDIEEIIRFWKHSTGIDIGDSLTIPDEFTEDEKKSGQWWRQLLAGGIAGAVSRTSTAPLDRLKIMMQ------VHGSKSDKMN-IFGGFRQMVKEGGIRSLWRGNGTNVIKIAPETAVKFWAYEQYKKLL----TEEGQKIGTFERFISGSMAGATAQTFIYPMEVMKTRLAV----GKTGQYSGIYDCAKKILKHEGLGAFYKGYVPNLLGIIPYAGIDLAVYELLKSYWLDNFAKDSVNPGVMVLLGCGALSSTCGQLASYPLALVRTRMQAQAMLEG-SPQLN-MVGLFRRIISKEGIPGLYRGITPNFMKVLPAVGISYVVYENMKQTLGVTQK |
4C9Q Chain:A ((30-316)) | ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------NFLMGGVSAAIAKTAASPIERVKILIQNQDEMIKQGTLDKKYSGIVDCFKRTAKQEGLISFWRGNTANVIRYFPTQALNF-AFKDKIKLMFGFKKE-GYGKWFAGNLASGGAAGALSLLFVYSLDFARTRLAADAKS--ARQFNGLTDVYKKTLKSDGIAGLYRGFMPSVVGIVVYRGLYFGMFDSLKPL-------------FLASFLLGWVVTTGASTCSYPLDTVRRRMM---MTSGQAVKYNGAIDCLKKIVASEGVGSLFKGCGANILRSVAGAGV-ISMYDQLQMILFGK-- |
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General information:
TITO was launched using:
| RESULT:
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Template: 4C9Q.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -64665 for 1835 contacts (-35.2/contact) +
2D Compatibility (PS) -26562 + (NN) 1122 + (LL) 13516
1D Compatibility (HY) -22800 + (ID) 4100
Total energy: -103489.0 ( -56.40 by residue)
QMean score : 0.253
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