Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MNLLIMGLPGAGKGTQAAKIVEEFGVAHISTGDMFRAAMANQTEMGRLAKSYIDKGELVPDEVTNGIVKERLAEDDIAEKGFLLDGYPRTIEQAHALDATLEELGLRLDGVINIKVDPSCLIERLSGRIINRKTGETFHKVFNPPVD-------YKEEDYYQREDD-KPETVKRRLDVNIAQGEP---ILEHYRKLG-----LVTDIEGNQEITEVFADVEKALLELK
2XB4 Chain:A ((1-222))
MNILIFGPNGSGKGTQGNLVKDKYSLAHIESGGIFREHIGGGTELGKKAKEFIDRGDLVPDDITIPMVLETLESK-G-KDGWLLDGFPRNTVQAQKLFEALQEKGMKINFVIEILLPREVAKNRIMGRRICKNNPNHPNNIFIDAIKPNGDVCRVCGGALSARADDQDEGAINKRHDIYYNTVDGTLAAAYYYKNMAAKEGFVYIELDGEGSIDSIKDTLLAQLA---
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) -74144 for 1498 contacts (-49.5/contact) +
2D Compatibility (PS) -22127 + (NN) -8458 + (LL) 524
1D Compatibility (HY) -15200 + (ID) 3150
Total energy: -122555.0 ( -81.81 by residue)
QMean score : 0.563
(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
: