Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKQLFLIIGAPGSGKTTDAELIAKNNSETIAHFSTGDLLRAESAKKTERGLLIEKFTSQGELVPLEIVVETILSAIKSS-SKGIILIDGYPRSVEQMQALDKELNAQNEVILKSVIEVEVSENTAKERVLGRSRG------------------------------ADDNERVFHNRMRVFLDPLVEIQNFYKAKHLHKIINGERSIEEIVNEMQKYILSFAN
3BE4 Chain:A ((4-217))
KKHNLILIGAPGSGKGTQCEFIKKEY--GLAHLSTGDMLREAIKNG--IGLEAKSIIESGNFVGDEIVLGLVKEKFDLGVCVNGFVLDGFPRTIPQAEGLAKILSE-IGDSLTSVIYFEIDDSEIIERISGRCTHPASGRIYHVKYNPPKQPGIDDVTGEPLVWRDDDNAEAVKVRLDVFHKQTAPLVKFYEDLGILKRVNAKLPPKEVTEQIKKIL-----
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) -69848 for 1378 contacts (-50.7/contact) +
2D Compatibility (PS) -20660 + (NN) -15974 + (LL) 696
1D Compatibility (HY) -10800 + (ID) 2850
Total energy: -119436.0 ( -86.67 by residue)
QMean score : 0.508
(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
: