Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MLKINVKYQLKNTLIRINIDDTEPKIYAVRGPSGIGKTTVLNMIAGLRKADEAIIEVNGQLLTDTTKNVNVKIQQRRIGYLFQDYQLFPNMTVYKNITF--------MAEPSKHIDQLIQTLNINHLMKQY----PMTLSGGEAQRVALARALSTKPDLILLDEPFSSLDDTTKDESITLVKRIFNEWQIPIIFVTHSNYEAEQMAHEIITIG
3TIF Chain:B ((19-204))
-------YALKN----VNLNIKEGEFVSIMGPSGSGKSTMLNIIGCLDKPTEGEVYIDNIKTNDLDDDELTKIRRDKIGFVFQQFNLIPLLTALENVELPLIFKYRGAMSGEERRKRALECLKMAELEERFANHKPNQLSGGQQQRVAIARALANNPPIILADQPTWALDSKTGEKIMQLLKKLNEEDGKTVVVVTH----------------
General information:
TITO was launched using:
RESULT:
Template:
3TIF.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -95848 for 1276 contacts (-75.1/contact) +
2D Compatibility (PS) -18440 + (NN) -5432 + (LL) 2808
1D Compatibility (HY) -12000 + (ID) 2950
Total energy: -131862.0 ( -103.34 by residue)
QMean score : 0.499
(partial model without unconserved sides chains):
PDB file :
Tito_3TIF.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3TIF-query.scw
PDB file :
Tito_Scwrl_3TIF.pdb
: