Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
LLTKRIIPCLDVTAGRVVKGVNFVSLTDVGDPVEIAKAYNEAGADELVFLDITATVELRQTMIDVVERTAEQVFIPLTVGGGISSVSDMKELLQAGADKISLNSAAIKRPELIQEGAAKFGNQCIVVAIDAKWNGTNWSVFTRGGRNDTGLDAIEWAKKAVQLGAGEILLTSMDGDGTKNGYDIPLTKAISEAVSVPVIASGGCGNAAHMVEVFEKTKATAALAASIFHYGELSIKNVKTTLLEKGVNIRP
1THF Chain:D ((1-249))
MLAKRIIACLDVKDGRVVKGSNFENLRDSGDPVELGKFYSEIGIDELVFLDITASVEKRKTMLELVEKVAEQIDIPFTVGGGIHDFETASELILRGADKVSINTAAVENPSLITQIAQTFGSQAVVVAIDAKRVDGEFMVFTYSGKKNTGILLRDWVVEVEKRGAGEILLTSIDRDGTKSGYDTEMIRFVRPLTTLPIIASGGAGKMEHFLEAFL-AGADAALAASVFHFREIDVRELKEYLKKHGVNVR-
General information:
TITO was launched using:
RESULT:
Template:
1THF.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -155013 for 2169 contacts (-71.5/contact) +
2D Compatibility (PS) -27464 + (NN) -11384 + (LL) -76
1D Compatibility (HY) -21600 + (ID) 6500
Total energy: -222037.0 ( -102.37 by residue)
QMean score : 0.679
(partial model without unconserved sides chains):
PDB file :
Tito_1THF.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1THF-query.scw
PDB file :
Tito_Scwrl_1THF.pdb
: