Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MDLGKVITAMVTPIHPEKDKVCKKRIHHLVNHLIKNGSDGLVIAGTTGESPTLSHDEKIKLFRQVIETNDGRAKLIAGTGSNNTAETIAFTKEVATLGGMDAVLIVAPYYNKPNQDGLYAHFAAVAEASDLPVVIYNIPGRSVVNIEPETIIRLAKLPNIVGVKESSGNLDNISKIIAETSDDFQVYSGDDSLTLPILAVGGNGVISVASHIVGNEMQEMIQAFERGEVQKAAQIHRELLPLMNGLFSVPNPAPTKYLLNQQGISVGPVRLPLVDLNAEQGTKLQAILEGLSK
3VFL Chain:A ((10-279))
----KIITAFITPFH-EDGSINFDAIPALIEHLLAHHTDGILLAGTTAESPTLTHDEELELFAAVQKVVNGRVPLIAGVGTNDTRDSIEFVKEVAEFGGFAAGLAIVPYYNKPSQEGMYQHFKAIADASDLPIIIYNIPGRVVVELTPETMLRLADHPNIIGVKECT-SLANMAYLIEHKPEEFLIYTGEDGDAFHAMNLGADGVISVASHTNGDEMHEMFTAIAESDMKKAAAIQRKFIPKVNALFSYPSPAPVKAILNYMGFEAGPTRLPLV-------------------
General information:
TITO was launched using:
RESULT:
Template:
3VFL.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -152252 for 2333 contacts (-65.3/contact) +
2D Compatibility (PS) -30052 + (NN) -20495 + (LL) 1120
1D Compatibility (HY) -26800 + (ID) 6750
Total energy: -235229.0 ( -100.83 by residue)
QMean score : 0.601
(partial model without unconserved sides chains):
PDB file :
Tito_3VFL.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3VFL-query.scw
PDB file :
Tito_Scwrl_3VFL.pdb
: