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
3KCV Chain:A ((30-279))
-------------------------HPLKTFYLAITAGVFISIAFVFYITATTGTGTMPFGMAKLVGGICFSLGLILCVVCGADLFTSTVLIVVAKASGR-ITWGQLAKNWLNVYFGNLVGALLFVLLMWL-----SGEYMTANGQWGLNVLQTADHKVHHTFIEAVCLGILANLMVCLAVWMSYSGRSLMDKAFIMVLPVAMFVASGFEHSIANMFMIPMGIVIRDFASPEFWTAVGSAPENFSHLTVMNFITDNLIPVTIGNIIGGGLLVGLTYWVIYL-------
General information:
TITO was launched using:
RESULT:
Template:
3KCV.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -198097 for 1716 contacts (-115.4/contact) +
2D Compatibility (PS) -22819 + (NN) -3312 + (LL) 2712
1D Compatibility (HY) -22000 + (ID) 3550
Total energy: -247066.0 ( -143.98 by residue)
QMean score : 0.172
(partial model without unconserved sides chains):
PDB file :
Tito_3KCV.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3KCV-query.scw
PDB file :
Tito_Scwrl_3KCV.pdb
: