Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MMKLHLKYLWI---VLVACTLTACMNGGGDLAGKWQLRQYQYAD----GTSEKVDSVFYNFQK-GSFSAICLLKDGGL--TTFFGNYSLKGAEISIILLPESVNDKNYDTYFGWPEGKCTFKVEDLSYSSLRLEYEGTKSIFRKF
2SCU Chain:B ((245-385))
AAQWELNYVALDGNIGCMVNGAGLAMGTMDIVKLHGGEPANFLDVGGGATKERVTEAFKIILSDDKVKAVLVNIFGGIVRCDLIADGIIGAVAEVGVNVPVVVRLEGN----NAELGAKKLADSGLNIIAAKGLTDAAQQVVAAV
General information:
TITO was launched using:
RESULT:
Template:
2SCU.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -51838 for 1114 contacts (-46.5/contact) +
2D Compatibility (PS) -12755 + (NN) 8186 + (LL) 200
1D Compatibility (HY) -3200 + (ID) 800
Total energy: -60207.0 ( -54.05 by residue)
QMean score : 0.180
(partial model without unconserved sides chains):
PDB file :
Tito_2SCU.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2SCU-query.scw
PDB file :
Tito_Scwrl_2SCU.pdb
: