Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MTKRLPNLQVALDHSDLQGAIKAAVSVGHEVDVIEAGTVCLLQVGSELVEVLRSLFPDKIIVADTKCADAGGTVAKNNAVRGADWMTCICCATIPTMEAALKAIKEERGDRGEIQIELYGDWTYEQAQQWLDAGISQAIYHQSRDALLAGETWGEKDLNKVKKLIDMGFRVSVTGGLSTDTLQLFEGVDVFTFIAGRGITEADDPAAAARAFKDEIKRIWG
1XBY Chain:B ((3-216))
----LPMLQVALDNQTMDSAYETTRLIAEEVDIIEVGTILCVGEGVRAVRDLKALYPHKIVLADAKIADAGKILSRMCFEANADWVTVICCADINTAKGALDVAKEFNGD---VQIDLTGYWTWEQAQQWRDAGIGQVVYHRSRDAQAAGVAWGEADITAIKRLSDMGFKVTVAGGLALEDLPLFKGIPIHVFIAGRSIRDAASPVEAARQFKRSIAELWG
General information:
TITO was launched using:
RESULT:
Template:
1XBY.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -146800 for 1839 contacts (-79.8/contact) +
2D Compatibility (PS) -23397 + (NN) -10271 + (LL) 456
1D Compatibility (HY) -19200 + (ID) 5300
Total energy: -204512.0 ( -111.21 by residue)
QMean score : 0.610
(partial model without unconserved sides chains):
PDB file :
Tito_1XBY.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1XBY-query.scw
PDB file :
Tito_Scwrl_1XBY.pdb
: