Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSLFQEKIAYNCAKKEALYKESLGRYALRS----MLAGAYLTMSTAAGIVAADTIGKISPALSGFVFAFIFSFGLIYVLIFNGELATSNMLYLTAGAYNKNISWKKAITILIYCTFFNLVGA---CILAWLFNQSYSFQHLTNDSFLGHVVAKKLGKPSSGAFLE----GIIANMFVNLAILAYMLLKEESAKMTVILSAIFMFVFLSNEHLIAN------------FAS--FMLAAFSHIEHIKGFTLLNVIRQWTL-VFFGNWIGGGVFIGLAYAWLNKTKTSHHE
3KCU Chain:A ((29-280))
------------------------KHPLKTFYLAITAGVFISIAFVFYITATTGTGTMPFGMAKLVGGICFSLGLILCVVCGADLFTSTVLIVVAKASGR-ITWGQLAKNWLNVYFGNLVGALLFVLLMWL-----SGEYMTANGQWGLNVLQTADHKVHHTFIEAVCLGILANLMVCLAVWMSYSGRSLMDKAFIMVLPVAMFVASGFEHSIANMFMIPMGIVIRDFASPEFWTAVGSAPENFSHLTVMNFITDNLIPVTIGNIIGGGLLVGLTYWVIYLR------
General information:
TITO was launched using:
RESULT:
Template:
3KCU.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -195287 for 1733 contacts (-112.7/contact) +
2D Compatibility (PS) -23127 + (NN) -5481 + (LL) 2560
1D Compatibility (HY) -22000 + (ID) 3550
Total energy: -246885.0 ( -142.46 by residue)
QMean score : 0.162
(partial model without unconserved sides chains):
PDB file :
Tito_3KCU.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3KCU-query.scw
PDB file :
Tito_Scwrl_3KCU.pdb
: