Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MLKRLLIAACTLLFAGSLLAATPAAKPHVLIATSLGEIEVELDPAKAPISVKNFLEYVDSGYYDGTLFHRVIPGFMVQTG---GFSAGMQEKKTRAPIKNEADNGLLNERGTLAMARTGVVDSATSQFFINLTDNDFLNHGARDFGYAVFGKVVRGMGVVDQIAKVPTTRRN--GFADVPSDDVVILSAKRL
2OK3 Chain:A ((3-154))
----------------------------VTLHTDVGDIKIEVFCERTPKTCENFLALCASNYYNGCIFHRNIKGFMVQTGDPTGTGRGGNSIWGKKFEDEYSEYLKHNVRGVVSMANNG-PNTNGSQFFITYGKQPHL-----DMKYTVFGKVIDGLETLDELEKLPVNEKTYRPLNDVHIKDITI------
General information:
TITO was launched using:
RESULT:
Template:
2OK3.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -70710 for 1115 contacts (-63.4/contact) +
2D Compatibility (PS) -15392 + (NN) -942 + (LL) 3596
1D Compatibility (HY) -11200 + (ID) 2650
Total energy: -97298.0 ( -87.26 by residue)
QMean score : 0.601
(partial model without unconserved sides chains):
PDB file :
Tito_2OK3.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2OK3-query.scw
PDB file :
Tito_Scwrl_2OK3.pdb
: