Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
LLYSLLANR--AFLRLL--FFGNLLGAIYGYIWYLPQLQMTEPRFWLFVPDSPTAILFFTLALVAFLGKKHWPLMEALGFVCLVKYGLWAVGMNIFYMVDQGVLVWGSVVLILTHGFMAVEGILYAPFYRFRIGHFMIAAVWVFHNDVIDYVFGQMPIYMGLEKYLPEIGYATFWLTVLVLWFVYDKTIKNKHLTLEFPHDE
1K45 Chain:A ((1-168))
---MLVANINGGFESTPAGVVTDLAEGVEGWDLNVGSSVTNPPVFEVLETSDAPEGNKVLAVTVNGVGNNPWD-IEATAFPVNVRPGV-TYTYTIWARAEQD-----GAVVSFTVGNQSFQE--YGRLHEQQITTEWQPFTFEFTVSDQETVI-RAPIHFGYAANVG----NTIYIDGLAI-----------------ASQP
General information:
TITO was launched using:
RESULT:
Template:
1K45.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -246556 for 1355 contacts (-182.0/contact) +
2D Compatibility (PS) -17933 + (NN) 1773 + (LL) 3304
1D Compatibility (HY) -2000 + (ID) 1500
Total energy: -262912.0 ( -194.03 by residue)
QMean score : 0.154
(partial model without unconserved sides chains):
PDB file :
Tito_1K45.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1K45-query.scw
PDB file :
Tito_Scwrl_1K45.pdb
: