Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSRVAPRDSAAQAASAVAESVRYQGRKASRQGSEQRRQAILDAAMRLIVRDGVRAVRHRAVAAEAQVPLSATTYYFKDIDDLITDTFALFVERNAEALSAFWSSVEGDLQEMAAVLADDPGARGSLVERIVELAVQYVQVQLTERREHLLAEQAFRQEALLNPRLRELADAHQRILSLGAVHFFQVLGSGQPEQDAKVLTSIILQMEYQGLVDGVEQLAVDEMRAILRRYLNLVMGL
3KKD Chain:A ((35-237))
----------------------------------QRRQAILDAAMRLIVRDGVRAVRHRAVAAEAQVPLSAT-----DIDDLITDTFALFVERNAEALSAFWSSVEGDLQEMAAVLADDPGARGSLVERIVELAVQYVQVQLTERREHLLAEQAFRQEALLNPRLRELADAHQRILSLGAVHFFQVLGSGQPEQDAKVLTSIILQMEYQGLVDGVEQLAVDEMRAILRRYLNLVMGL
General information:
TITO was launched using:
RESULT:
Template:
3KKD.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -122024 for 1432 contacts (-85.2/contact) +
2D Compatibility (PS) -22399 + (NN) -18220 + (LL) 2864
1D Compatibility (HY) -28800 + (ID) 9900
Total energy: -198479.0 ( -138.60 by residue)
QMean score : 0.701
(partial model without unconserved sides chains):
PDB file :
Tito_3KKD.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3KKD-query.scw
PDB file :
Tito_Scwrl_3KKD.pdb
: