Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSQFFQIHPENPQPRLVKQAVEIVRQGGVIVYPTDSSYALGCRIGEKTAVDRIRRIRQLDDKHNFTLVCRDLSELGVYAKVDTGLFRLLKAHTPGPYTFILSATREVPRMLLHPKRR-----------TIGLRVPNCPIARALLEELGEPLMSVSLIMPGSGEPLNDPYEMRQVLEHQVDLIVDGGYGGGEASTVISLTDTDPEVIRVGCGDPAPFMQPA
3VTI Chain:A ((205-329))
----------------IKCVAKALKEGKIVAIKGIGGFHLAVNALDDEAVATLRRRKKRYGK-PFAVMMRDVEEVKKYCIV-----------SPEEERLLLSQRR--PIVLLKKKGEKLAKGIADDLDTLGVMLPYAPIHYLLMEEIDFPIVMTS-----------------------------------------------------------------
General information:
TITO was launched using:
RESULT:
Template:
3VTI.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -91302 for 793 contacts (-115.1/contact) +
2D Compatibility (PS) -12284 + (NN) -1314 + (LL) 4496
1D Compatibility (HY) -9200 + (ID) 1600
Total energy: -111204.0 ( -140.23 by residue)
QMean score : 0.425
(partial model without unconserved sides chains):
PDB file :
Tito_3VTI.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3VTI-query.scw
PDB file :
Tito_Scwrl_3VTI.pdb
: