Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSEPLILDAPNADACIIWLHGLGADRTDFKPVAEALQ-MVL--PSTRFILPQAPSQAVTVNGGWVMPSWYDILAFSPARAIDEDQLNASADQVIALIDEQRAKGIAAERIILAGFSQGGAVVLHTAFRRYAQPLGGVLALSTYAPTFDDLAL--DERHKR-IPVLHLHGSQDDVVDPALGRAAHDALQAQGVEVGWHDYPM-GHEVSLEEIHDIGAWLRKRL
3U0V Chain:A ((18-229))
---------GRHSASLIFLHGSGDSGQGLRMWIKQVLNQDLTFQHIKIIYPTAPPRSYTPMKGGISNVWFDRFKITNDCPEHLESIDVMCQVLTDLIDEEVKSGIKKNRILIGGFSMGGCMAMHLAYR-NHQDVAGVFALSSFLNKASAVYQALQKSNGVLPELFQCHGTADELVLHSWAEETNSMLKSLGVTTKFHSFPNVYHELSKTELDILKLWILTKL
General information:
TITO was launched using:
RESULT:
Template:
3U0V.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -144535 for 1675 contacts (-86.3/contact) +
2D Compatibility (PS) -22212 + (NN) -8764 + (LL) 868
1D Compatibility (HY) -13200 + (ID) 2600
Total energy: -190443.0 ( -113.70 by residue)
QMean score : 0.599
(partial model without unconserved sides chains):
PDB file :
Tito_3U0V.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3U0V-query.scw
PDB file :
Tito_Scwrl_3U0V.pdb
: