Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MRVILLGAPGAGKGTQARFITEKFGIPQISTGDMLRAAVKAGSPLGQQVKGVMDSGGLVSDDIIIALIKERITEADCAKGFLFDGFPRTIPQAEALKD----AGVTIDHVVEIAVDDEEIVSRIAGRRVHPASGRVYHTEHNPPKVA--GKDDVTGEELIQREDDK-EETVRHRLSVYHSQTKP---LVDFYQKLSAAEGTPKYHSIAGVGSVEQITAKVLSALS
2XB4 Chain:A ((1-222))
MNILIFGPNGSGKGTQGNLVKDKYSLAHIESGGIFREHIGGGTELGKKAKEFIDRGDLVPDDITIPMVLETLESK-GKDGWLLDGFPRNTVQAQKLFEALQEKGMKINFVIEILLPREVAKNRIMGRRICKNNPNHPNNIFIDAIKPNGDVCRVCGGALSARADDQDEGAINKRHDIYYNTVDGTLAAAYYYKNMAA-KEGFVYIELDGEGSIDSIKDTLLAQL-
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) -88524 for 1545 contacts (-57.3/contact) +
2D Compatibility (PS) -23226 + (NN) -12070 + (LL) 40
1D Compatibility (HY) -14800 + (ID) 3200
Total energy: -141780.0 ( -91.77 by residue)
QMean score : 0.595
(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
: