Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MITLEKFIDHLNVEEVLFTFFTKLISILLLIIAFVIVRQVINYLFEKTVNRSLAFSRQKVARQKTLAKLSHNVLNYTLYFFLFYWILSILGVPISSLLAGAGIAGVAIGLGAQGFLSDVVNGFFILLENQFDVGDIINVGTVSGTVTNVGIRTTQIHDFDGTLHFIPNRNITI--VSNKSRSNMRA-QIDIPLFVHTNLDQISDIVTKI--NEEYVSKHPAIVGEPTVFGPTTNANGQFVYRINIFTQNGAQFDIYAEFYKLYQKAILEEGIDLPTYNFSNNHSR
4HWA Chain:A ((25-279))
-----------------LSYAVNIVAALAIIIVGLIIARMIS----NAVNR-LMISRKIDA---TVADFLSALVRYGIIAFTLIAALGRVGVQTASVIAVLGAAGLAVGLALQGSLSNLAAGVLLVMFRPFRAGEYVDLGGVAGTVLSVQIFSTTMRTADGKIIVIPNGKIIAGNIINFSREPVRRNEFIIGVAYDSDIDQVKQILTNIIQSEDRILKDREMTVRLNELGASSI---NFVVR--VWSNSGDLQNVYWDVLERIKREFDAAGISFPYPQMDVNFKR
General information:
TITO was launched using:
RESULT:
Template:
4HWA.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -127971 for 1640 contacts (-78.0/contact) +
2D Compatibility (PS) -26670 + (NN) -10752 + (LL) 2752
1D Compatibility (HY) -22800 + (ID) 3550
Total energy: -188991.0 ( -115.24 by residue)
QMean score : 0.228
(partial model without unconserved sides chains):
PDB file :
Tito_4HWA.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4HWA-query.scw
PDB file :
Tito_Scwrl_4HWA.pdb
: