Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MAQTGTERVKRGMAEMQKGGVIMDVINAEQAKIAEEAGAVAVMALERVPADIRAAGGVARMADPTIVEEVMNAVSIPVMAKARIGHIVEARVLEAMGVDYIDESEVLTPADEEFHLNKNEYTVPFVCGCRDLGEATRRIAEGASMLRTKGEPGTGNIVEAVRHMRKVNAQVRKVVAMSEDELMTEAKNLGAPYELLLQIKKDGKLPVVNFAAGGVATPADAALMMQLGADGVFVGSGIFKSDNPAKFAKAIVEATTHFTDYKLIAELSKELGTAMKGIEISNLLPEQRMQERGW
2NV1 Chain:A ((9-274))
-----TERVKRGMAEMQKGGVIMDVINAEQAKIAEEAGAVAVMALER-------AGGVARMADPTIVEEVMNAVSIPVMAKARIGHIVEARVLEAMGVDYIDESEVLTPADEEFHLNKNEYTVPFVCGCRDLGEATRRIAEGASMLRTKGEPGTGNIVEAVRHMRKVNAQVRKVVAMSEDELMTEAKNLGAPYELLLQIKKDGKLPVVNFAAGGVATPADAALMMQLGADGVFVGSGIFKSDNPAKFAKAIVEATTHFTDYKLIAELSKEL-----------------------
General information:
TITO was launched using:
RESULT:
Template:
2NV1.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -153108 for 2242 contacts (-68.3/contact) +
2D Compatibility (PS) -28956 + (NN) -19678 + (LL) 2500
1D Compatibility (HY) -34400 + (ID) 12900
Total energy: -246542.0 ( -109.97 by residue)
QMean score : 0.719
(partial model without unconserved sides chains):
PDB file :
Tito_2NV1.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2NV1-query.scw
PDB file :
Tito_Scwrl_2NV1.pdb
: