Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSLFQEKIAYNCAKKEALYKESLGRYALRSMLAGAYLTMSTAAGIVAADTIGKISPALSGFVFAFIFSFGLIYVLIFNGELATSNMLYLTAGAYNKNISWKKAITILIYCTFFNLVGACILAWLFNQS--YSFQHLTNDSFLGHVVAKKLGKPSSGAFLEGIIANMFVNLAILAYMLLKEESAKMTVILSAIFMFVFLSNEHLIANFASFMLAAFSHI--------------EHIKGFTLLNVIRQ-WTLVFFGNWIGGGVFIGLAYAWLNKTKTSHHE
3KCU Chain:A ((29-280))
--------------------KHPLKTFYLAITAGVFISIAFVFYITATTGTGTMPFGMAKLVGGICFSLGLILCVVCGADLFTSTVLIVVAKA-SGRITWGQLAKNWLNVYFGNLVGALLFVLLMWLSGEYMTANGQWGLNVLQTADHKVHHTFIEAVCLGILANLMVCLAVWMSYSGRSLMDKAFIMVLPVAMFVASGFEHSIANMFMIPMGIVIRDFASPEFWTAVGSAPENFSHLTVMNFITDNLIPVTIGNIIGGGLLVGLTYWVIYLR------
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) -235685 for 1978 contacts (-119.2/contact) +
2D Compatibility (PS) -24192 + (NN) -5509 + (LL) 2416
1D Compatibility (HY) -22800 + (ID) 3000
Total energy: -288770.0 ( -145.99 by residue)
QMean score : 0.302
(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
: