Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MRYQNMFETLKKHKKMAFIPFVTLGDPNYELSFEIVKTLIISGVSALELGLAFSDPVADGTTIQASHLRALKHA-SMAKNFQLLKKIRGYNHDIPIGLLAYANLIFSYGVDGFYAQAKECGVDSVLIADMPLIEKELVIKSAQKHQIKQIFIASPNASSKDLEQVATHSQGYIYTLARSGVTGASHTLENDASAIIKTLKTFSSTPALLGFGISKKEHITNAKGMGADGVICGSALVKIIEENLNNEDAMLEKIKGFVGGMIS
3CEP Chain:A ((3-262))
-RYENLFAQLNDRREGAFVPFVTLGDPGIEQSLKIIDTLIDAGADALELGVPFSDPLADGPTIQNANLRAFAAGVTPAQCFEMLAIIREKHPTIPIGLLMYANLVFNNGIDAFYARCEQVGVDSVLVADVPVEESAPFRQAALRHNIAPIFICPPNADDDLLRQVASYGRGYTYLLSRSGVTGAENRGALPLHHLIEKLKEYHAAPALQGFGISSPEQVSAAVRAGAAGAISGSAIVKIIEKNLASPKQMLAELRSFVSAMKA
General information:
TITO was launched using:
RESULT:
Template:
3CEP.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -205103 for 2296 contacts (-89.3/contact) +
2D Compatibility (PS) -28604 + (NN) -17093 + (LL) 208
1D Compatibility (HY) -24000 + (ID) 6350
Total energy: -280942.0 ( -122.36 by residue)
QMean score : 0.674
(partial model without unconserved sides chains):
PDB file :
Tito_3CEP.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3CEP-query.scw
PDB file :
Tito_Scwrl_3CEP.pdb
: