Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MTYPQLSKEVAPNEIEAEMITNRGTIRIKLFPEIAPKTVENF--VTHSKNGY-YDGLIFHRVIPEFMIQGGD-PDGRGTGGESIWGESFEDEFSTEAFNLRGALSMANAGPNTNGSQFFIVQKPDMPADMLGQMEQAGFPVEVIEAYKQGGTPWLDGRHTVFGHVIEGMDVVDEIANLPTGMQDKPVNDVVIEKINIK
4S1J Chain:A ((26-166))
-----------------------GRITIGLFGKDAPLTTENFRQLCTGEHGFGYKDSIFHRVIPNFMIQGGDFTNFDGTGGKSIYGEKFADE-NLKVKHFVGALSMANAGPNTNGSQFFITTAP---------------------------TPWLDGRHVVFGKVLDGMDVVLRIEKTKTNSHDRPVKPVKI------
General information:
TITO was launched using:
RESULT:
Template:
4S1J.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -45705 for 1012 contacts (-45.2/contact) +
2D Compatibility (PS) -14653 + (NN) -9178 + (LL) 4260
1D Compatibility (HY) -11600 + (ID) 4100
Total energy: -80976.0 ( -80.02 by residue)
QMean score : 0.610
(partial model without unconserved sides chains):
PDB file :
Tito_4S1J.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4S1J-query.scw
PDB file :
Tito_Scwrl_4S1J.pdb
: