Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MIITIFGPPGSGKGTQSSLLIERYNLKLISVGDLLRNIISSGSELGKKIKDTVESGNLIQDGVICELLYDQL-ALMDDNFLFDGFPRNLNQAHFLTQILRERYNRDVDIVIELQLNDKVAIDRLKNRLVCLDCKSVYSTSSFKD---DNNLVCTRCKSARLEKRIDDSDLSAIDRRIGEYHVQVK---SLREYYRDK-------LLMIDANLNVDQVKQEIESKISCSLV
2XB4 Chain:A ((1-223))
MNILIFGPNGSGKGTQGNLVKDKYSLAHIESGGIFREHIGGGTELGKKAKEFIDRGDLVPDDITIPMVLETLESKGKDGWLLDGFPRNTVQAQKLFEALQEK-GMKINFVIEILLPREVAKNRIMGRRICKNNPN-HPNNIFIDAIKPNGDVCRVCGGA-LSARADDQDEGAINKRHDIYYNTVDGTLAAAYYYKNMAAKEGFVYIELDGEGSIDSIKDTLLAQLA----
General information:
TITO was launched using:
RESULT:
Template:
2XB4.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -102094 for 1522 contacts (-67.1/contact) +
2D Compatibility (PS) -22528 + (NN) -7141 + (LL) 780
1D Compatibility (HY) -12000 + (ID) 3750
Total energy: -146733.0 ( -96.41 by residue)
QMean score : 0.554
(partial model without unconserved sides chains):
PDB file :
Tito_2XB4.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2XB4-query.scw
PDB file :
Tito_Scwrl_2XB4.pdb
: