Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSKLLSGQVALVTGGAAGIGRATALAFAAAGVKVVVADLDSAGGEGTVEAIRQAGGEALFIRCDVTRDAEVKALVEGCAAAYGRLDYAFNNAGIEIEQGKLADGNEAEFDAIMAVNVKGVWLCMKHQIPLMLAQGGGAIVNTASVAGLGAAPKMSIYAASKHAVIGLTKSAAIEYAKKGIRVNAVCPAVIDTDMFRRAYEADPRKAEFAAAMHPLGRVGRVEEIAAAVLYLCCDNAGFTTGIALPVDGGATAI
4NBU Chain:C ((9-247))
-SRL-QDKVAIITGAANGIGLEAARVFMKEGAKVVIADFNEAAGKEAVEA----NPGVVFIRVDVSDRESVHRLVENVAERFGKIDILINNAGI-TRDSMLSKMTVDQFQQVINVNLTGVFHCTQAVLPYMAEQGKGKIINTSSVTGTYGNVGQTNYAAAKAGVIGMTKTWAKELARKGINVNAVAPGFTETAM---VAEVPEKVIEKMKAQVPMGRLGKPEDIANAYLFLASHESDYVNGHVLHVDGGIMM-
General information:
TITO was launched using:
RESULT:
Template:
4NBU.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -167262 for 2102 contacts (-79.6/contact) +
2D Compatibility (PS) -26558 + (NN) -14391 + (LL) 1532
1D Compatibility (HY) -16400 + (ID) 4950
Total energy: -228029.0 ( -108.48 by residue)
QMean score : 0.500
(partial model without unconserved sides chains):
PDB file :
Tito_4NBU.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4NBU-query.scw
PDB file :
Tito_Scwrl_4NBU.pdb
: