Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
LLTKRIIPCLDVTAGRVVKGVNFVSLTDVGDPVEIAKAYNEAGADELVFLDITATVELRQTMIDVVERTAEQVFIPLTVGGGISSVSDMKELLQAGADKISLNSAAIKRPELIQEGAAKFGNQCIVVAIDAKWNGTNWSVFTRGGRNDTGLDAIEWAKKAVQLGAGEILLTSMDGDGTKNGYDIPLTKAISEAVSVPVIASGGCGNAAHMVEVFEKTKATAALAASIFHYGELSIKNVKTTLLEKGVNIRP
3IIV Chain:A ((3-249))
--AKRIDAALILKDGRVVKGSNFENLRDSGDPVELGKFYSEIGIDELSFWDITASVEKRKTMLELVEKVAEQIDIPITVGGGIYDFETASELILRGADKVEINTAAVENPSLITQIAQTFGSQAVVVYIAAKRVDGEFMVFTYSGTKNTGILLRDWVVEVEKRGAGEIVLGSIDRLGTKSGYDTEMIRFVRPLTTLPIIAHRGAGKTEHFLEAF-LAGADAAKADSVFHSREIDVRELKEYLKKHGVNVR-
General information:
TITO was launched using:
RESULT:
Template:
3IIV.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -155405 for 2141 contacts (-72.6/contact) +
2D Compatibility (PS) -27194 + (NN) -11650 + (LL) 316
1D Compatibility (HY) -16800 + (ID) 5650
Total energy: -216383.0 ( -101.07 by residue)
QMean score : 0.653
(partial model without unconserved sides chains):
PDB file :
Tito_3IIV.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3IIV-query.scw
PDB file :
Tito_Scwrl_3IIV.pdb
: