Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MTKRLPNLQVALDHSDLQGAIKAAVSVGHEVDVIEAGTVCLLQVGSELVEVLRSLFPDKIIVADTKCADAGGTVAKNNAVRGADWMTCICCATIPTMEAALKAIKEERGDRGEIQIELYGDWTYEQAQQWLDAGISQAIYHQSRDALLAGETWGEKDLNKVKKLIDMGFRVSVTGGLSTDTLQLFEGVDVFTFIAGRGITEADDPAAAARAFKDEIKRIWG
1KW1 Chain:A ((3-215))
----LPMLQVALDNQTMDSAYETTRLIAEEVDIIEVGTILCVGEGVRAVRDLKALYPHKIVLADAKIADAGKILSRMCFEANADWVTVICCADINTAKGALDVAKEFNGD---VQIELTGYWTWEQAQQWRDAGIGQVVYHRSRDAQAAGVAWGEADITAIKRLSDMGFKVTVTGGLALEDLPLFKGIPIHVFIAGRSIRDAASPVEAARQFKRSIAELW-
General information:
TITO was launched using:
RESULT:
Template:
1KW1.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -142494 for 1814 contacts (-78.6/contact) +
2D Compatibility (PS) -23173 + (NN) -9659 + (LL) 284
1D Compatibility (HY) -19200 + (ID) 5350
Total energy: -199592.0 ( -110.03 by residue)
QMean score : 0.625
(partial model without unconserved sides chains):
PDB file :
Tito_1KW1.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1KW1-query.scw
PDB file :
Tito_Scwrl_1KW1.pdb
: