Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MNLQENKTAIFDNVSKLALKAGRAPESVHIVAVTKYVNCQTTEALIRTGVNHIGENRVDKFLEK---YQALKDEKLTWHLIGSLQRRKVKDVINYVDYFHALDSVKLAAEI--QKRAQ-KPVKCFLQVNISREDSKHGFTIEQIDDALNLISRYDKIELIGIMTMAPLKATKEEISSIFEETESLRKRLQARNIERMPFTELSMGMSRDYDIAIQNGSTFVRIGTSFFK
3SY1 Chain:A ((4-227))
-DIAHNLAQVRDKISAAATRCGRSPEEITLVAVSKTKPASAIAEAIDAGQRQFSEHYVQEGVDKIRHFQELGVTGLEWNFAGPLQSNKSRLVAEHFDWCITIDRLRIATRLNDQRPAELPPLNVLIQINISDENSKSGIQLAELDELAAAVAELPRLRLRG---LSAIPAPESEYVRQFEVARQMAVAFAGLKTRYPHIDTLALGQSDDMEAAIAAGSTMVAIGTAIFG
General information:
TITO was launched using:
RESULT:
Template:
3SY1.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -121790 for 1759 contacts (-69.2/contact) +
2D Compatibility (PS) -23393 + (NN) -8104 + (LL) 672
1D Compatibility (HY) -13200 + (ID) 3050
Total energy: -168865.0 ( -96.00 by residue)
QMean score : 0.485
(partial model without unconserved sides chains):
PDB file :
Tito_3SY1.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3SY1-query.scw
PDB file :
Tito_Scwrl_3SY1.pdb
: