Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MTKRLPNLQVALDHSDLQGAIKAAVSVGHEVDVIEAGTVCLLQVGSELVEVLRSLFPDKIIVADTKCADAGGTVAKNNAVRGADWMTCICCATIPTMEAALKAIKEERGDRGEIQIELYGDWTYEQAQQWLDAGISQAIYHQSRDALLAGETWGEKDLNKVKKLIDMGFRVSVTGGLSTDTLQLFEGVDVFTFIAGRGITEADDPAAAARAFKDEIKRIWG
1SO3 Chain:A ((3-215))
----LPMLQVALDNQTMDSAYETTRLIAEEVDIIEVGTILCVGEGVRAVRDLKALYPHKIVLADAKIADAGKILSRMCFEANADWVTVICCADINTAKGALDVAKEFNGD---VQIELTGYWTWEQAQQWRDAGIGQVVYARSRDAQAAGVAWGEADITAIKRLSDMGFKVTVTGGLALEDLPLFKGIPIHVFIAGRSIRDAASPVEAARQFKRSIAELW-
General information:
TITO was launched using:
RESULT:
Template:
1SO3.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -142118 for 1840 contacts (-77.2/contact) +
2D Compatibility (PS) -23110 + (NN) -9316 + (LL) 284
1D Compatibility (HY) -19200 + (ID) 5300
Total energy: -198760.0 ( -108.02 by residue)
QMean score : 0.620
(partial model without unconserved sides chains):
PDB file :
Tito_1SO3.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1SO3-query.scw
PDB file :
Tito_Scwrl_1SO3.pdb
: