Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MPVIRVLVMLATMMMKLVKTAKEKKVFKNVGISIMGIAFWEAIKDSIKKQIKKSDWICGNVKTADDYLKTHPNSWFNSAIGVTAITAMLMNVCFADDQSKKEVAQAQKEAENARDRANKSGIELEQEEQKTEQEKQKTEQEKQKTEQEKQKTEQEKQKTEQEKQKTSNIETNNQIKVEQEQQKTEQEKQKTNNTQKDLVNKAEQNCQENHNQFFIKKLGIKAGIAIEIEAECKTPKPTKTNQTPIQPKHLPNSKQPHSQRGSKAQELIAYLQKELESLPYSQKAIAKQVDFYRPSSIAYLELDPRDFNATEEWQKENLKIRSKAQAKMLEMRSLKPDPQAHLSTSQSLLLVQKIFADVSKEIKVVANTEKKVEKAGYGYSKRM |
1XGS Chain:A ((77-141)) | -----------------------------------------------------------------DYLKIDVGVHIDGFIADTAVT---VRVGMEED----ELMEAAKEALNAAISVARAGVEIKELGKAIENEIRKRGFKPIVNLSGHKIERYKLHAGISIPNIYRPHDNYVLKEGDVFAIEPFATIGAGQVIEVPPTLIYMYVRDVPVRVAQARFLLAKIKREYGTLPFAYRWLQNDMPEGQLKLALKTLEKAGAIYGYPVLKEIRNGIVAQFEHTIIVEKDSVIVTTE-------------------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 1XGS.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) 29281 for 326 contacts (89.8/contact) +
2D Compatibility (PS) -7376 + (NN) -2748 + (LL) 14352
1D Compatibility (HY) -3200 + (ID) 1100
Total energy: 29209.0 ( 89.60 by residue)
QMean score : 0.160
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