Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)



Input alignment information:
Query sequence-----MTLIILEGPDCCFKSTVAAKLSKELKYPIIKGSSFELAKSGNEKLFEHFNKLADEDNVIIDRFVYSNLVYAKKFKDYSILT----ERQLRFIEDKIKAKAKVVYLHADPSVIKKRLRVRGDEYIEGKDIDSILELYREVMSN-AGLHTYSWDTGQWSSDEIAKDIIFLVE-
1KNQ Chain:A ((3-173))TTNHDHHIYVLMGVSGSGKSAVASEVAHQLHAAFLDGDFLH--PRRNIEKMASGEPLNDDDRKPWLQALNDAAFAMQRTNKVSLIVCSALKKHYRDLLREGNPNLSFIYLKGDFDVIESRLKARKGHFFKTQMLVTQFETLQEPGADETDVLVVDIDQ---PLEGVVASTIEVIKK


General information:
TITO was launched using:
RESULT:

Template: 1KNQ.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
Monomeric PKB - chain A - contact count / total energy / energy per contact / energy per residue : 714 37149 52.03 232.18
target 2D structure prediction score : 0.64
Monomeric hydrophicity matching model chain A : 0.75

3D Compatibility (PKB) : 52.03
2D Compatibility (Sec. Struct. Predict.) : 0.64
1D Compatibility (Hydrophobicity) : 0.75
QMean score : 0.487

(partial model without unconserved sides chains):
PDB file : Tito_1KNQ.pdb:





(Unconserved sides chains are recalculated) :
Sequence: align-1KNQ-query.scw
PDB file : Tito_Scwrl_1KNQ.pdb: