Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSLFQEKIAYNCAKKEALYKESLGRYALRSMLAGAYLTMSTAAGIVAADTIGKISPALSGFVFAFIFSFGLIYVLIFNGELATSNMLYLTAGAYNKNISWKKAITILIYCTFFNLVGACILAWLFNQSYSFQ-H-LTNDSFLGHVVAKKLGKPSSGAFLEGIIANMFVNLAILAYMLLKEESAKMTVILSAIFMFVFLSNEHLIANFASFMLAAFSHIEH--------------IKGFTLLN-VIRQWTLVFFGNWIGGGVFIGLAYAWLNKTKTSHHE
3KCU Chain:A ((29-280))
--------------------KHPLKTFYLAITAGVFISIAFVFYITATTGTGTMPFGMAKLVGGICFSLGLILCVVCGADLFTSTVLI-VVAKASGRITWGQLAKNWLNVYFGNLVGALLFVLLMWLSGEYMTANGQWGLNVLQTADHKVHHTFIEAVCLGILANLMVCLAVWMSYSGRSLMDKAFIMVLPVAMFVASGFEHSIANMFMIPMGIVIRDFASPEFWTAVGSAPENFSHLTVMNFITDNLIPVTIGNIIGGGLLVGLTYWVIYLR------
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) -232136 for 1996 contacts (-116.3/contact) +
2D Compatibility (PS) -24176 + (NN) -6024 + (LL) 2500
1D Compatibility (HY) -21200 + (ID) 2750
Total energy: -283786.0 ( -142.18 by residue)
QMean score : 0.328
(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
: