Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MRIVNGPIIMTREERMKIVHEIKERILDKYGDDVKAIGVYGSLGRQTDGPYSDIEMMCVMSTEEAEFSHEWTTGEWKVEVNFDSEEILLDYASQVESDWPLTHGQFFSILPIYDSGGYLEKVYQTAKSVEAQTFHDAICALIVEELFEYAGKWRNIRVQGPTTFLPSLTVQVAMAGAMLIGLHHRICYTTSASVLTEAVKQSDLPSGYDHLCQFVMSGQLSDSEKLLESLENFWNGIQEWTERHGYIVDVSKRIPF
1KNY Chain:B ((1-253))
---MNGPIIMTREERMKIVHEIKERILDKYGDDVKAIGVYGSLGRQTDGPYSDIEMMCVMSTEEAEFSHEWTTGEWKVEVNFYSEEILLDYASQVESDWPLTHGQFFSILPIYDSGGYLEKVYQTAKSVEAQTFHDAICALIVEELFEYAGKWRNIRVQGPTTFLPSLTVQVAMAGAMLIGLHHRICYTTSASVLTEAVKQSDLPSGYDHLCQFVMSGQLSDSEKLLESLENFWNGIQEWTERHGYIVDVSKRIPF
General information:
TITO was launched using:
RESULT:
Template:
1KNY.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -167103 for 1931 contacts (-86.5/contact) +
2D Compatibility (PS) -27626 + (NN) -18002 + (LL) 512
1D Compatibility (HY) -38400 + (ID) 12550
Total energy: -263169.0 ( -136.29 by residue)
QMean score : 0.712
(partial model without unconserved sides chains):
PDB file :
Tito_1KNY.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1KNY-query.scw
PDB file :
Tito_Scwrl_1KNY.pdb
: