Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MLKI-NVKYQL----KNTLIRINIDDTEPKIYAVRGPSGIGKTTVLNMIAGLRKADEAIIEVNGQLLTDTTKNVNVKIQQRRIGYLFQDYQLFPNMTVYKNITFMAEP--------SKHIDQLIQTLNINHLMKQYPMTLSGGEAQRVALARALSTKPDLILLDEPFSSLDDTTKDESITLVKRIFNEWQIPIIFVTHSNYEAEQMAHEIITIG
1OXX Chain:K ((4-215))
-IIVKNVSKVFKKGKVVALDNVNINIENGERFGILGPSGAGKTTFMRIIAGLDVPSTGELYFDDRLVASNGK-LIVPPEDRKIGMVFQTWALYPNLTAFENIAFPLTNMKMSKEEIRKRVEEVAKILDIHHVLNHFPRELSGAQQQRVALARALVKDPSLLLLDEPFSNLDARMRDSARALVKEVQSRLGVTLLVVSHDPADIFAIADRVGVLV
General information:
TITO was launched using:
RESULT:
Template:
1OXX.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -138054 for 1609 contacts (-85.8/contact) +
2D Compatibility (PS) -20866 + (NN) -3847 + (LL) 128
1D Compatibility (HY) -18400 + (ID) 3350
Total energy: -184389.0 ( -114.60 by residue)
QMean score : 0.491
(partial model without unconserved sides chains):
PDB file :
Tito_1OXX.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1OXX-query.scw
PDB file :
Tito_Scwrl_1OXX.pdb
: