Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MLKI-NVKYQLK---NTLIRINIDDTEPKIYAVRGPSGIGKTTVLNMIAGLRKADEAIIEVNGQLLTDTTKNVNVKIQQRRIGYLFQDYQLFPNMTVYKNITFMAEP--------SKHIDQLIQTLNINHLMKQYPMTLSGGEAQRVALARALSTKPDLILLDEPFSSLDDTTKDESITLVKRIFNEWQIPIIFVTHSNYEAEQMAHEIITIG
1Z47 Chain:A ((15-220))
-IEFVGVEKIYPGGARSVRGVSFQIREGEMVGLLGPSGSGKTTILRLIAGLERPTKGDVWIGGKRVTDL------PPQKRNVGLVFQNYALFQHMTVYDNVSFGLREKRVPKDEMDARVRELLRFMRLESYANRFPHELSGGQQQRVALARALAPRPQVLLFDEPFAAIDTQIRRELRTFVRQVHDEMGVTSVFVTHDQEEALEVADRVLVLH
General information:
TITO was launched using:
RESULT:
Template:
1Z47.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -143660 for 1540 contacts (-93.3/contact) +
2D Compatibility (PS) -20811 + (NN) -4486 + (LL) 548
1D Compatibility (HY) -18400 + (ID) 3250
Total energy: -190059.0 ( -123.41 by residue)
QMean score : 0.535
(partial model without unconserved sides chains):
PDB file :
Tito_1Z47.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1Z47-query.scw
PDB file :
Tito_Scwrl_1Z47.pdb
: