Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
LKLVLMGLPGAGKGTQAEQIVEKYNIPHISTGDMFRAAMKNNTELGRKAKSFMDNGDLVPDEVTNGIVRERLSEDDAKDGFLLDGFPRTVEQAQELENILSDLGTELDAVINIDVEKDVLMKRLTGRWICRTCGKTYHEIYNPPKVP--GKCDLDGGELYQRDDD-KKETVEKRLNVNMKQTKP---LLDFYSEK----G-KLHNINGEQEIKDVFVDVEKILASF
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) -66011 for 1549 contacts (-42.6/contact) +
2D Compatibility (PS) -22931 + (NN) -14227 + (LL) 172
1D Compatibility (HY) -13600 + (ID) 3750
Total energy: -120347.0 ( -77.69 by residue)
QMean score : 0.564
(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
: