Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MTKRLPNLQVALDHSDLQGAIKAAVSVGHEVDVIEAGTVCLLQVGSELVEVLRSLFPDKIIVADTKCADAGGTVAKNNAVRGADWMTCICCATIPTMEAALKAIKEERGDRGEIQIELYGDWTYEQAQQWLDAGISQAIYHQSRDALLAGETWGEKDLNKVKKLIDMGFRVSVTGGLSTDTLQLFEGVDVFTFIAGRGITEADDPAAAARAFKDEIKRIWG
1SO6 Chain:A ((3-216))
----LPMLQVALDNQTMDSAYETTRLIAEEVDIIEVGTILCVGEGVRAVRDLKALYPHKIVLADAKIADAGKILSRMCFEANADWVTVICCADINTAKGALDVAKEFNGD---VQIQLTGYWTWEQAQQWRDAGIGQVVYARSRDAQAAGVAWGEADITAIKRLSDMGFKVTVTGGLALEDLPLFKGIPIHVFIAGRSIRDAASPVEAARQFKRSIAELWG
General information:
TITO was launched using:
RESULT:
Template:
1SO6.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -146208 for 1857 contacts (-78.7/contact) +
2D Compatibility (PS) -23030 + (NN) -8552 + (LL) 456
1D Compatibility (HY) -19200 + (ID) 5300
Total energy: -201834.0 ( -108.69 by residue)
QMean score : 0.603
(partial model without unconserved sides chains):
PDB file :
Tito_1SO6.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1SO6-query.scw
PDB file :
Tito_Scwrl_1SO6.pdb
: