Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MRYQNMFETLKKHKKMAFIPFVTLGDPNYELSFEIVKTLIISGVSALELGLAFSDPVADGTTIQASHLRALKHA-SMAKNFQLLKKIRGYNHDIPIGLLAYANLIFSYGVDGFYAQAKECGVDSVLIADMPLIEKELVIKSAQKHQIKQIFIASPNASSKDLEQVATHSQGYIYTLARSGVTGASHTLENDASAIIKTLKTFSSTPALLGFGISKKEHITNAKGMGADGVICGSALVKIIEENLNNEDAMLEKIKGFVGGMIS
4HT3 Chain:A ((3-262))
-RYENLFAQLNDRREGAFVPFVTLGDPGIEQSLKIIDTLIDAGADALELGVPFSDPLADGPTIQNANLRAFAAGVTPAQCFEMLALIREKHPTIPIGLLMYANLVFNNGIDAFYARCEQVGVDSVLVADVPVEESAPFRQAALRHNIAPIFICPPNADDDLLRQVASYGRGYTYLLSRSGVTGAENRGALPLHHLIEKLKEYHAAPALQGFGISSPEQVSAAVRAGAAGAISGSAIVKIIEKNLASPKQMLAELRSFVSAMKA
General information:
TITO was launched using:
RESULT:
Template:
4HT3.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -203192 for 2290 contacts (-88.7/contact) +
2D Compatibility (PS) -28416 + (NN) -16445 + (LL) 208
1D Compatibility (HY) -24000 + (ID) 6350
Total energy: -278195.0 ( -121.48 by residue)
QMean score : 0.682
(partial model without unconserved sides chains):
PDB file :
Tito_4HT3.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4HT3-query.scw
PDB file :
Tito_Scwrl_4HT3.pdb
: