Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MLIVQKYGGTSMGSIERIHNVAQRVLESVKLGHQVVVVVSAMSGETDRLLEFGKNFS---------------------------------------------------------HNPNKREMDRIVSAGEWISSAALSMALERYGHRAISLSGKEAGILTSSHFQNAVIQSID-TQRITELLEKNYIVVIAGFQGADIQGETTTLGRGGSDLSAVALAGALKAHLCEIYTDVDGVYTTDPRIEEKAQKIAQISYDEMLELASMGAKVLLNRSVELAKKLSVKLVTRNSFNH-SEGTLIVAEKDFKGERMETPIVSGIALDKNQARVSMEG--VEDRPGIAAEIFGALAEYRINVDMIVQTIGRDGKTDLDFTIVKTQIEETKQALKPFLAQ-------MDSIDYDENIAKVSIVGVGMKSHSGVASIAFKALAKDNINIMMIS--TSEIKISVLIDIKYAELAVRTLHAVYQLDQ |
3C1M Chain:A ((2-470)) | -TTVMKFGGTSVGSGERIRHVAKIVTKRKKEDDDVVVVVSAMSEVTNALVEISQQALDVRDIAKVGDFIKFIREKHYKAIEEAIKSEEIKEEVKKIIDSRIEELEKVLIGVAYLGELTPKSRDYILSFGERLSSPILSGAIRDLGEKSIALEGGEAGIITDNNFGSARVKRLEVKERLLPLLKEGIIPVVTGFIGTTEEGYITTLGRGGSDYSAALIGYGLDADIIEIWTDVSGVYTTDPRLVPTARRIPKLSYIEAMELAYFGAKVLHPRTIEPAMEKGIPILVKNTFEPESEGTLITNDMEM-----SDSIVKAISTIKNVALINIFGAGMVGVSGTAARIFKALGEEEVNVILISQGSSE---TNISLVVSEEDVDKALKALKREFGDSFLNNNLIRDVSVDKDVCVISVVGAGMRGAKGIAGKIFTAVSESGANIKMIAQGSSEVNISFVIDEKDLLNCVRKLHEKFIEK- |
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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) -251095 for 3490 contacts (-71.9/contact) +
2D Compatibility (PS) -43106 + (NN) -15475 + (LL) 448
1D Compatibility (HY) -28000 + (ID) 7750
Total energy: -344978.0 ( -98.85 by residue)
QMean score : 0.554
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