Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MSTSAIFFSEGSYIVIMNNIIVKKFGGTSLTDLTRVANLIKKDVDKGYRIIVVVSAIAGLTDQMVFQARQTLNLSHKQALSEYDVMLSAGEQISCGLLAITLLSIGVNAKSWLAWQLPIITDNSYSESKIKTIKI-DHLKRSFAEGYTVAIIAGFQGIYDD-RITTFGRGGSDISAVALAVAFGVRVCEIFTDIDGIYTADPKIVPKARKLKSISYDEMLEMSSSGAKILHNRSVQLAMKHNIKVQVLSTFK-EVEGTAVLHENDVLERHTITGITYSTNEALITFTNF------ANTLRTLKDMAGANIKIDMI-HGS-----SIVISEFDIDLM----------KELLNKN--EDYVINNNAAKISIIGIGVMSVMYHTLKFF-----SEKKIEILAITASEIKISIIVQRECAEALVRDLHTELMCTEGG |
3C1M Chain:A ((123-468)) | -----------------------------------------------------------------------------------DYILSFGERLSSPILSGAIRDLGEKSIALEGGEAGIITDNNFGSARVKRLEVKERLLPLLKEGI-IPVVTGFIGTTEEGYITTLGRGGSDYSAALIGYGLDADIIEIWTDVSGVYTTDPRLVPTARRIPKLSYIEAMELAYFGAKVLHPRTIEPAMEKGIPILVKNTFEPESEGTLITNDME-MSDSIVKAISTIKNVALINIFGAGMVGVSGTAARIFKALGEEEVNVILISQGSSETNISLVVSEEDVDKALKALKREFGD-SFLNNNLIRDVSVDKDVCVISVVGAGMRGAKGIAGKIFTAVSESGANIKMIAQGSSEVNISFVIDEKDLLNCVRKLHEKFIEK--- |
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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) -215538 for 2498 contacts (-86.3/contact) +
2D Compatibility (PS) -33061 + (NN) -5220 + (LL) 7436
1D Compatibility (HY) -23600 + (ID) 5050
Total energy: -275033.0 ( -110.10 by residue)
QMean score : 0.452
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