Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MNLVLMGLPGAGKGTQGERIVEDYGIPHISTGDMFRAAMKEETPLGLEAKSYIDKGELVPDEVTIGIVKERLGKDDCERGFLLDGFPRTVAQAEALEEILEEYGKPIDYVINIEVDKDVLMERLTGRRICSVCGTTYHLVFNPPKT--PGICDKDGGELYQRADD-NEETVSKRLEVNMKQTQP---LLDFYSEK----G-YLANVNGQQDIQDVYADVKDLLGGLKK
2XB4 Chain:A ((1-222))
MNILIFGPNGSGKGTQGNLVKDKYSLAHIESGGIFREHIGGGTELGKKAKEFIDRGDLVPDDITIPMVLETLESK-GKDGWLLDGFPRNTVQAQKLFEALQEKGMKINFVIEILLPREVAKNRIMGRRICKNNPNHPNNIFIDAIKPNGDVCRVCGGALSARADDQDEGAINKRHDIYYNTVDGTLAAAYYYKNMAAKEGFVYIELDGEGSIDSIKDTLLAQL-----
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) -86711 for 1541 contacts (-56.3/contact) +
2D Compatibility (PS) -23118 + (NN) -16487 + (LL) -116
1D Compatibility (HY) -14400 + (ID) 3800
Total energy: -144632.0 ( -93.86 by residue)
QMean score : 0.569
(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
: