Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MALAKRIIPCLDVDNGRVVKGVKFENIRDAGDPVEIARRYDEQGADEITFLDITASVDGRDTTLHTVERMASQVFIPLTVGGGVRSVQDIRNLLNAGADKVSINTAAVFNPEFVGEAADRFGSQCIVVAIDAKKVSAPGEAPRWEIFTHGGRKPTGLDAVLWAKKMEDLGAGEILLTSMDQDGVKSGYDLGVTRAISEAVNVPVIASGGVGNLEHLAAGILEGKADAVLAASIFHFGEYTVPEAKAYLASRGIVVR
3IIP Chain:E ((2-250))
-ALAKRIDAALIVKDGRVVEGSNFENLRDSGDPVELGKFYSEIGIDELSFWDITA---KRKTMLELVEKVAEQIDIPFTVGGGIHDFETASELILRGADKVEINTAAVENPSLITQIAQTFGSQAVVVYIAAKRVDG-----EFMVFTYSGTKNTGILLRDWVVEVEKRGAGEIVLGSIDRLGTKSGYDTEMIRFVRPLTTLPIIAHRGAGKMEHFLEAFLAG-ADAAKADSVFHFREIDVRELKEYLKKHGVNVR
General information:
TITO was launched using:
RESULT:
Template:
3IIP.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -153315 for 2120 contacts (-72.3/contact) +
2D Compatibility (PS) -26801 + (NN) -9878 + (LL) 156
1D Compatibility (HY) -19600 + (ID) 6050
Total energy: -215488.0 ( -101.65 by residue)
QMean score : 0.643
(partial model without unconserved sides chains):
PDB file :
Tito_3IIP.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3IIP-query.scw
PDB file :
Tito_Scwrl_3IIP.pdb
: