Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MLKI-NVKYQLK--NTLIRINIDDTEPKIYAVRGPSGIGKTTVLNMIAGLRKADEAIIEVNGQLLTDTTKNVNVKIQQRRIGYLFQDYQLFPNMTVYKNITFMAEP--------SKHIDQLIQTLNINHLMKQYPMTLSGGEAQRVALARALSTKPDLILLDEPFSSLDDTTKDESITLVKRIFNEWQIPIIFVTHSNYEAEQMAHEIITIG
1V43 Chain:A ((13-223))
-VKLENLTKRFGNFTAVNKLNLTIKDGEFLVLLGPSGCGKTTTLRMIAGLEEPTEGRIYFGDRDVTYL------PPKDRNISMVFQ------HMTVYENIAFPL--KKFPKDEIDKRVRWAAELLQIEELLNRYPAQLSGGQRQRVAVARAIVVEPDVLLMDEPLSNLDAKLRVAMRAEIKKLQQKLKVTTIYVTHDQVEAMTMGDRIAVMN
General information:
TITO was launched using:
RESULT:
Template:
1V43.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -130123 for 1467 contacts (-88.7/contact) +
2D Compatibility (PS) -19804 + (NN) -6005 + (LL) 816
1D Compatibility (HY) -15600 + (ID) 3300
Total energy: -174016.0 ( -118.62 by residue)
QMean score : 0.561
(partial model without unconserved sides chains):
PDB file :
Tito_1V43.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1V43-query.scw
PDB file :
Tito_Scwrl_1V43.pdb
: