Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKKLYTSYGTYGFLHQIKINNPTHQLFQFSASDTSVIFEETDGETVLKSPSIYEVIKEIGEFSEHHFYCAIFIPSTEDHAYQLEKKLISVDDNFRNFGGFKSYRLLRPAKGTTYKIYFGFADRHAYEDFKQSDAFNDHFSKDALSHYFGSSGQHSSYFERYLYPIKE
4AE5 Chain:D ((2-166))
-KKLYTSYGTYGFLHQIKINNPTHQLFQFSASDTSVIFEETDGETVLKSPSIYEVIKEIGEFSEHHFYCAIFIPSTEDHAYQLEKKLISVDDNFRNFGGFKSYRLLRPAKGTTYKIYFGFADRHAYEDFKQSDAFNDHFSKDALSHYF------SSYFERYLYPIK-
General information:
TITO was launched using:
RESULT:
Template:
4AE5.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -79392 for 1180 contacts (-67.3/contact) +
2D Compatibility (PS) -17274 + (NN) -5783 + (LL) 76
1D Compatibility (HY) -22800 + (ID) 7950
Total energy: -133123.0 ( -112.82 by residue)
QMean score : 0.592
(partial model without unconserved sides chains):
PDB file :
Tito_4AE5.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4AE5-query.scw
PDB file :
Tito_Scwrl_4AE5.pdb
: