Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MNLLIMGLPGAGKGTQAAKIVEEFGVAHISTGDMFRAAMANQTEMGRLAKSYIDKGELVPDEVTNGIVKERLAEDDIAEKGFLLDGYPRTIEQAHALDATLEELGLRLDGVINIKVDPSCLIERLSGRIINRKTGETFHKVFNPPV-----DYKEEDYYQREDDKPETVKRRLDVNIAQGEPILEHYRKLGLVTDIEGNQEITEVFADVEKALLELK
3BE4 Chain:A ((7-217))
-NLILIGAPGSGKGTQCEFIKKEYGLAHLSTGDMLREAIKNG--IGLEAKSIIESGNFVGDEIVLGLVKEKF-DLGVCVNGFVLDGFPRTIPQAEGLAKILSEIGDSLTSVIYFEIDDSEIIERISGRCTHPASGRIYHVKYNPPKQPGIDDVTGEPLVWRDDDNAEAVKVRLDVFHKQTAPLVKFYEDLGILKRVNAKLPPKEVTEQIKKIL----
General information:
TITO was launched using:
RESULT:
Template:
3BE4.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -60047 for 1565 contacts (-38.4/contact) +
2D Compatibility (PS) -22177 + (NN) -8863 + (LL) 1028
1D Compatibility (HY) -18000 + (ID) 4400
Total energy: -112459.0 ( -71.86 by residue)
QMean score : 0.494
(partial model without unconserved sides chains):
PDB file :
Tito_3BE4.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3BE4-query.scw
PDB file :
Tito_Scwrl_3BE4.pdb
: