Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MRYQNMFETLKKHKKMAFIPFVTLGDPNYELSFEIVKTLIISGVSALELGLAFSDPVADGTTIQASHLRALKHA-SMAKNFQLLKKIRGYNHDIPIGLLAYANLIFSYGVDGFYAQAKECGVDSVLIADMPLIEKELVIKSAQKHQIKQIFIASPNASSKDLEQVATHSQGYIYTLARSGVTGASHTLENDASAIIKTLKTFSSTPALLGFGISKKEHITNAKGMGADGVICGSALVKIIEENLNNEDAMLEKIKGFVGGMIS
1A50 Chain:A ((3-262))
-RYENLFAQLNDRREGAFVPFVTLGDPGIEQSLKIIDTLIDAGADALELGVPFSDPLADGPTIQNANLRAFAAGVTPAQCFEMLALIREKHPTIPIGLLMYANLVFNNGIDAFYARCEQVGVDSVLVADVPVEESAPFRQAALRHNIAPIFICPPNADDDLLRQVASYGRGYTYLLSRSGVTGAEN------HHLIEKLKEYHAAPALQGFGISSPEQVSAAVRAGAAGAISGSAIVKIIEKNLASPKQMLAELRSFVSAMKA
General information:
TITO was launched using:
RESULT:
Template:
1A50.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -199668 for 2194 contacts (-91.0/contact) +
2D Compatibility (PS) -27752 + (NN) -15621 + (LL) 528
1D Compatibility (HY) -24400 + (ID) 6350
Total energy: -273263.0 ( -124.55 by residue)
QMean score : 0.678
(partial model without unconserved sides chains):
PDB file :
Tito_1A50.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1A50-query.scw
PDB file :
Tito_Scwrl_1A50.pdb
: