Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MDKMNKVVLHKEYSGFVRFFHWVRALSIFTLIATGFYIAYPFLQPNSSFYKGVYLLQAYVRSFHVMFGFLLISALIFRTYLFFTKESLMERRSFSQLLSPKAWIDQMKAYFLISDKPHTK-GLYNPIQLVAYFTLVVLIVLMSLSGIVLYYNVYHEGLGAFLANAFKWFEALCGGLANVRFIHHLATWGFILFVPVHVYMVFFHSIRYDSSGADSMINGYGYTKE-------------------------
1KQF Chain:C ((2-217))
----SKSKMIVRTKFIDRACHWTVVICFFLVALSGISFFFPTLQWLTQTFGT----PQMGRILHPFFGIAIFVALMFMFVRFVHH--------NIPDKKDIPWLLNIVEVLKGNEHKVADVGKYNAGQKMMFWSIMSMIFVLLVTGVIIWRPYFAQYFP-------------MQVVRYSLLIHAAAGIILIHAILIHMYMAFW-----VKGSIKGMIEGKVSRRWAKKHHPRWYREIEKAEAKKESEEGI
General information:
TITO was launched using:
RESULT:
Template:
1KQF.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -147097 for 1307 contacts (-112.5/contact) +
2D Compatibility (PS) -19565 + (NN) -6652 + (LL) 3756
1D Compatibility (HY) -14000 + (ID) 1750
Total energy: -185308.0 ( -141.78 by residue)
QMean score : 0.186
(partial model without unconserved sides chains):
PDB file :
Tito_1KQF.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1KQF-query.scw
PDB file :
Tito_Scwrl_1KQF.pdb
: