Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MLIVQKYGGTSMGSIERIHNVAQRVLESVKLGHQVVVVVSAMSGETDRLLEFGKNFSHNPNKREMDRIVSAGEWISSAALSMALERYGHRAISLSGKEAGILTSSHFQNAVIQSIDT-QRITELLEKNYIVVIAGFQGADIQGETTTLGRGGSDLSAVALAGALKAHLCEIYTDVDGVYTTDPRIEEKAQKIAQISYDEMLELASMGAKVLLNRSVELAKKLSVKLVTRNSFN-HSEGTLIVAEKDFKGERMETPIVSGIALDKNQARVSM--EGVEDRPGIAAEIFGALAEYRINVDMIVQTIGRDGKTDLDFTIVKTQIEETKQAL------KPFLAQ--MDSIDYDENIAKVSIVGVGMKSHSGVASIAFKALAKDNINIMMIS--TSEIKISVLIDIKYAELAVRTLHAVYQLDQ |
3C1M Chain:D ((74-467)) | ---------------EKHYKAIEEAIKSEEIKEEVKKIIDSRIEELEKVL-IGVAYLGELTPKSRDYILSFGERLSSPILSGAIRDLGEKSIALEGGEAGIITDNNFGSARVKRLEVKERLLPLLKEGIIPVVTGFIGTTEEGYITTLGRGGSDYSAALIGYGLDADIIEIWTDVSGVYTTDPRLVPTARRIPKLSYIEAMELAYFGAKVLHPRTIEPAMEKGIPILVKNTFEPESEGTLITNDME-----MSDSIVKAISTIKNVALINIFGAGMVGVSGTAARIFKALGEEEVNVILISQG---SSETNISLVVSEEDVDKALKALKREFGDKSFLNNNLIRDVSVDKDVCVISVVGAGMRGAKGIAGKIFTAVSESGANIKMIAQGSSEVNISFVIDEKDLLNCVRKLHEKFIEK- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3C1M.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -178518 for 3045 contacts (-58.6/contact) +
2D Compatibility (PS) -40646 + (NN) -12411 + (LL) 1532
1D Compatibility (HY) -27200 + (ID) 6850
Total energy: -264093.0 ( -86.73 by residue)
QMean score : 0.437
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