Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MRYQNMFETLKKHKKMAFIPFVTLGDPNYELSFEIVKTLIISGVSALELGLAFSDPVADGTTIQASHLRALKHA-SMAKNFQLLKKIRGYNHDIPIGLLAYANLIFSYGVDGFYAQAKECGVDSVLIADMPLIEKELVIKSAQKHQIKQIFIASPNASSKDLEQVATHSQGYIYTLARSGVTGASHTLENDASAIIKTLKTFSSTPALLGFGISKKEHITNAKGMGADGVICGSALVKIIEENLNNEDAMLEKIKGFVGGMIS
1WBJ Chain:A ((3-262))
-RYENLFAQLNDRREGAFVPFVTLGDPGIEQSLKIIDTLIDAGADALELGVPFSDPLADGPTIQNANLRAFAAGVTPAQCFEMLAIIREKHPTIPIGLLMYANLVFNNGIDAFYARCEQVGVDSVLVADVPVEESAPFRQAALRHNIAPIFICPPNADDDLLRQVASYGRGYTYLLSRSGVTGAENRGALPLHHLIEKLKEYHAAPALQGFGISSPEQVSAAVRAGAAGAISGSAIVKIIEKNLASPKQMLAELRSFVSAMKA
General information:
TITO was launched using:
RESULT:
Template:
1WBJ.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -207799 for 2295 contacts (-90.5/contact) +
2D Compatibility (PS) -28211 + (NN) -13728 + (LL) 208
1D Compatibility (HY) -24000 + (ID) 6350
Total energy: -279880.0 ( -121.95 by residue)
QMean score : 0.696
(partial model without unconserved sides chains):
PDB file :
Tito_1WBJ.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1WBJ-query.scw
PDB file :
Tito_Scwrl_1WBJ.pdb
: