Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MTYPQLSKEVAPNEIEAEMITNRGTIRIKLFPEIAPKTVENF---VTHSKNGYYDGLIFHRVIPEFMIQGGD-PDGRGTGGESIWGESFEDEFSTEAFNLRGALSMANAGPNTNGSQFFIVQKPDMPADMLGQMEQAGFPVEVIEAYKQGGTPWLDGRHTVFGHVIEGMDVVDEIANLPTGMQDKPVNDVVIEKINIK
4J5B Chain:A ((17-141))
-----------------------GRVVLELKADVVPKTAENFRALCTGEKGFGYKGSTFHRVIPSFMCQAGDFTNHNGTGGKSIYGSRFPDENFTLKHVGPGVLSMANAGPNTNGSQFFICTIK---------------------------TDWLDGKHVVFGHVIEGMDVVKKI-----------------------
General information:
TITO was launched using:
RESULT:
Template:
4J5B.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -38830 for 874 contacts (-44.4/contact) +
2D Compatibility (PS) -12834 + (NN) -7121 + (LL) 4908
1D Compatibility (HY) -9600 + (ID) 3550
Total energy: -67027.0 ( -76.69 by residue)
QMean score : 0.518
(partial model without unconserved sides chains):
PDB file :
Tito_4J5B.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4J5B-query.scw
PDB file :
Tito_Scwrl_4J5B.pdb
: