Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MTYPQLSKEVAPNEIEAEMITNRGTIRIKLFPEIAPKTVENF--VTHSKNGY-YDGLIFHRVIPEFMIQGGD-PDGRGTGGESIWGESFEDEFSTEAFNLRGALSMANAGPNTNGSQFFIVQKPDMPADMLGQMEQAGFPVEVIEAYKQGGTPWLDGRHTVFGHVIEGMDVVDEIANLPTGMQDKPVNDVVIEKINIK
4N1S Chain:A ((18-142))
-----------------------GRVSFELFADKVPKTAENFRALSTGEKGFGYKGSCFHRIIPGFMCQGGDFTRHNGTGGKSIYGEKFEDENFILKHTGPGILSMANAGPNTNGSQFFICTAK---------------------------TEWLDGKHVVFGKVKEGMNIVEAM-----------------------
General information:
TITO was launched using:
RESULT:
Template:
4N1S.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -42688 for 888 contacts (-48.1/contact) +
2D Compatibility (PS) -12874 + (NN) -7428 + (LL) 4908
1D Compatibility (HY) -10400 + (ID) 3350
Total energy: -71832.0 ( -80.89 by residue)
QMean score : 0.521
(partial model without unconserved sides chains):
PDB file :
Tito_4N1S.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4N1S-query.scw
PDB file :
Tito_Scwrl_4N1S.pdb
: