Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MLECENLSCIHN-DKVLFKNLSFKAKPKSKVLITGPNGSGKTSLIRSLSGLLPPASGNIRYCKKDIYDDLKSYIPSMVYIGHKNACKDSLTVAQNIEFWAGIRN-----TKELIIAAICCLQLQPVFNIKYGELSAGWKRRVALARLLVSDASVWLVDEPFCNLDSATCELVLNLISVRSE-QNGIVIITGHSSTEQLCSFTTIDVCNFNSYS
1Z47 Chain:A ((15-218))
-IEFVGVEKIYPGGARSVRGVSFQIREGEMVGLLGPSGSGKTTILRLIAGLERPTKGDVWIGGKRVTD-LPPQKRNVGLVFQNYALFQHMTVYDNVSFGLREKRVPKDEMDARVRELLRFMRLESYANRFPHELSGGQQQRVALARALAPRPQVLLFDEPFAAIDTQIRRELRTFVRQVHDEMGVTSVFVTHDQEEALEVADRVLVLHEGNVE
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) -138127 for 1558 contacts (-88.7/contact) +
2D Compatibility (PS) -21356 + (NN) -11746 + (LL) 132
1D Compatibility (HY) -7600 + (ID) 2450
Total energy: -181147.0 ( -116.27 by residue)
QMean score : 0.449
(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
: