Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MLSPCPRAKVCFSPGEDCAVLIISEIDQSKESVLVQEYTFT-LETIARALINAKERSVDVEVILDKSQLHSK----------Y----SVIN-----------KLFSNG-IPVWID-DKPKIAHNKVIIVDNQKVITGSFNLTKTAKKGNAENLLIIKNYPE--LVQQYVKNWEIRKSQSYKYAS
3HSI Chain:A ((254-419))
---------------NELNQVIEDLFLQVQKKLVICTPYFNFPRTLQHKIATLLENGKRVEIIVGDKVANDFYIPPEQPFKMAGALPYLYESNLRRFCEKFETQIESGQLVVRLWRDGDNTYHLKGVWVDDRYILLTGNNLNPRAWRLDAENGLLIYD-PQQQLLAQVEKEQNQIRQHTKVLKH
General information:
TITO was launched using:
RESULT:
Template:
3HSI.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -12955 for 908 contacts (-14.3/contact) +
2D Compatibility (PS) -14673 + (NN) -3290 + (LL) 572
1D Compatibility (HY) -5600 + (ID) 1000
Total energy: -36946.0 ( -40.69 by residue)
QMean score : 0.286
(partial model without unconserved sides chains):
PDB file :
Tito_3HSI.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3HSI-query.scw
PDB file :
Tito_Scwrl_3HSI.pdb
: