Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
LLTKRIIPCLDVTAGRVVKGVNFVSLTDV--GDPVEIAKAYNEAGADELVFLDITATVELRQTMIDVVERTAEQVFIPLTVGGGISSVSDMKELLQAGADKISLNSAAIKRPELIQEGAAKFGNQ-CIVVAIDAKWNGTNWSVFTRGGRNDTGLDAIEWAKKAVQLGAGEILLTSMDGDGTKNGYDIPLTKAISEAVSVPVIASGGCGNAAHMVEVFEKTKA--TAALAASIFHYGELSIKNVKTTLLEKGVNIRP---
1THF Chain:D ((1-253))
MLAKRIIACLDVKDGRVVKGSNFENLR--DSGDPVELGKFYSEIGIDELVFLDITASVEKRKTMLELVEKVAEQIDIPFTVGGGIHDFETASELILRGADKVSINTAAVENPSLITQIAQTFGSQA-VVVAIDAKRVDGEFMVFTYSGKKNTGILLRDWVVEVEKRGAGEILLTSIDRDGTKSGYDTEMIRFVRPLTTLPIIASGGAGKMEHFLEAFLA---GADAALAASVFHFREIDVRELKEYLKKHGVNVRLEGL
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) -146183 for 2091 contacts (-69.9/contact) +
2D Compatibility (PS) -27131 + (NN) -11640 + (LL) 432
1D Compatibility (HY) -22400 + (ID) 6400
Total energy: -213322.0 ( -102.02 by residue)
QMean score : 0.680
(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
: