Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MNVSVNIKNVTKEYRIYRTNKERMKDALIPKHKNKTFFALDDISLKAYEGDVIGLVGINGSGKSTLSNIIGGSLSPTVGKV-----------DRNGEVSVIAISAGLSGQLTGIENIEFKMLCMGFKRKEIKAMTPKIIEFSELGEFIYQPVKKYSSGMRAKLGFSINITVNPDILVIDEALSVGDQTFAQKCLDKIYEF-KEQNKTIFFVSHNLGQVRQFCTKIAWIEGGKLKDYGELDDVLPKYEAFLNDFKKKSKAEQKEFRNKLDEARFVIK
1Q1B Chain:A ((21-216))
-----------------------------------------DINLDIHEGEFVVFVGPSGCGKSTLLRMIAGLETITSGDLFIGEKRMNDTPPAERGVGMVFQSYALYPHLSVAENMSFGLKLAGAKKEVINQRVNQVAEVLQLAHLLDRKPKALSGGQRQRVAIGRTLVAEPSVFLLDEPLSNLDAALRVQMRIEISRLHKRLGRTMIYVTHDQVEAMTLADKIVVLDAGRVAQVG---------------------------------------
General information:
TITO was launched using:
RESULT:
Template:
1Q1B.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -110265 for 1392 contacts (-79.2/contact) +
2D Compatibility (PS) -20342 + (NN) -6585 + (LL) 6192
1D Compatibility (HY) -10400 + (ID) 2400
Total energy: -143800.0 ( -103.30 by residue)
QMean score : 0.478
(partial model without unconserved sides chains):
PDB file :
Tito_1Q1B.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1Q1B-query.scw
PDB file :
Tito_Scwrl_1Q1B.pdb
: