Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MRYQNMFETLKKHKKMAFIPFVTLGDPNYELSFEIVKTLIISGVSALELGLAFSDPVADGTTIQASHLRALKHA-SMAKNFQLLKKIRGYNHDIPIGLLAYANLIFSYGVDGFYAQAKECGVDSVLIADMPLIEKELVIKSAQKHQIKQIFIASPNASSKDLEQVATHSQGYIYTLARSGVTGASHTLENDASAIIKTLKTFSSTPALLGFGISKKEHITNAKGMGADGVICGSALVKIIEENLNNEDAMLEKIKGFVGGMIS
3PR2 Chain:A ((2-261))
-RYENLFAQLNDRREGAFVPFVTLGDPGIEQSLKIIDTLIDAGADALELGVPFSDPLADGPTIQNANLRAFAAGVTPAQCFEMLALIREKHPTIPIGLLMYANLVFNNGIDAFYARCEQVGVDSVLVADVPVEESAPFRQAALRHNIAPIFICPPNADDDLLRQVASYGRGYTYLLSRSGVTGAENRGALPLHHLIEKLKEYHAAPALQGFGISSPEQVSAAVRAGAAGAISGSAIVKIIEKNLASPKQMLAELRSFVSAMKA
General information:
TITO was launched using:
RESULT:
Template:
3PR2.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -207927 for 2281 contacts (-91.2/contact) +
2D Compatibility (PS) -28493 + (NN) -16831 + (LL) 208
1D Compatibility (HY) -24000 + (ID) 6350
Total energy: -283393.0 ( -124.24 by residue)
QMean score : 0.679
(partial model without unconserved sides chains):
PDB file :
Tito_3PR2.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3PR2-query.scw
PDB file :
Tito_Scwrl_3PR2.pdb
: