Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSKLLSGQVALVTGGAAGIGRATALAFAAAGVKVVVADLDSAGGEGTVEAIRQAGGEALFIRCDVTRDAEVKALVEGCAAAYGRLDYAFNNAGIEIEQGKLADGNEAEFDAIMAVNVKGVWLCMKHQIPLMLAQGGGAIVNTASVAGLGAAPKMSIYAASKHAVIGLTKSAAIEYAKKGIRVNAVCPAVIDTDMFRRAYEADPRKAEFAAAMHPLGRVGRVEEIAAAVLYLCCDNAGFTTGIALPVDGGATAI
4NBU Chain:D ((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) -168949 for 2105 contacts (-80.3/contact) +
2D Compatibility (PS) -26619 + (NN) -14299 + (LL) 1532
1D Compatibility (HY) -16400 + (ID) 4950
Total energy: -229685.0 ( -109.11 by residue)
QMean score : 0.479
(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
: