Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MLELKNISKCYGQKEIFKDFNLTVEEGKILSLVGPSGGGKTTLLRMLAGLEKIDSGTIVHDGKEVSVDHLETLNLLGFVFQDFQLFPHLTVLDNLILSPVKTMGLSKELAKAKALVLLERLGLKDHALVYPFSLSGGQKQRVALARAMMIDPQIIGYDEPTSALDPELRQEVEKLILQ-NRETGMTQIVVTHDLQFAESISDTILKINPK
3PUX Chain:A ((4-208))
-VQLQNVTKAWGEVVVSKDINLDIHEGEFVVFVGPSGCGKSTLLRMIAGLETITSGDLFIGEKRMN-DTPPAERGVGMVFQSYALYPHLSVAENMSFG-LKLAGAKKEVINQRVNQVAEVLQLAHLLDRKPKALSGGQRQRVAIGRTLVAEPSVFLLDEPLSNLDAALRVQMRIEISRLHKRLGRTMIYVTHDQVEAMTLADKIVVLDAG
General information:
TITO was launched using:
RESULT:
Template:
3PUX.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -120287 for 1571 contacts (-76.6/contact) +
2D Compatibility (PS) -22856 + (NN) -14246 + (LL) 260
1D Compatibility (HY) -13600 + (ID) 3950
Total energy: -174679.0 ( -111.19 by residue)
QMean score : 0.663
(partial model without unconserved sides chains):
PDB file :
Tito_3PUX.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3PUX-query.scw
PDB file :
Tito_Scwrl_3PUX.pdb
: