Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MLECENLSCIHNDKVLFKNLSFKAKPKSKVLITGPNGSGKTSLIRSLSGLLPPASGNIRYCKKDIYDDLKSYIP------SMVYIGHKNACKDSLTVAQNIEFWAGIR-----NTKELIIAAICCLQLQPVFNIKYGELSAGWKRRVALARLLVSDASVWLVDEPFCNLDSATCELVLNLISVRSE----QNGIVIITGHSSTEQLCSFTTIDVCNFNSYS
1VCI Chain:A ((13-211))
-VKLENLTKRFGNFTAVNKLNLTIKDGEFLVLLGPSGCGKTTTLRMIAGLEEPTEGRIYFGDRDV-----TYLPPKDRNISMVFQ--------HMTVYENIAFPL--KKFPKDEIDKRVRWAAELLQIEELLNRYPAQLSGGQRQRVAVARAIVVEPDVLLMDEPLSNLDAKLR------VAMRAEIKKLQQKLKVTTIYVTHDQVEAMTMGDRIAVMNRG
General information:
TITO was launched using:
RESULT:
Template:
1VCI.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -127715 for 1302 contacts (-98.1/contact) +
2D Compatibility (PS) -18528 + (NN) -6499 + (LL) 1208
1D Compatibility (HY) -9600 + (ID) 2800
Total energy: -163934.0 ( -125.91 by residue)
QMean score : 0.409
(partial model without unconserved sides chains):
PDB file :
Tito_1VCI.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1VCI-query.scw
PDB file :
Tito_Scwrl_1VCI.pdb
: