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



Input alignment information:
Query sequenceMSEQMVKEKPERAVIVPKQNHVLEVKDLSIYYGNKQAV---HHVNMDIEKNAVTALIGPSGCGKSTFLRNINRMNDLIPSARAEGEILYEGLNILGGNINVVSLRREIGMVFQKPNPFPKSIYANITHALKYAGERNKAVLDEI--VEESLTKAALWDEVKDRLHS----SALSLSGGQQQRLCIARTLAMKPAVLLLDEPASALDPISNAKIEELITGLKREYSIIIVTHNMQQALRVSDRTAFFLNGELVEYGQTEQIFTSPKKQKTEDYINGKFG
4AYT Chain:A ((342-567))----------------------LEFKNVHFAYPARPEVPIFQDFSLSIPSGSVTALVGPSGSGKSTVLSLLLRLYD-----PASGTISLDGHDIR--QLNPVWLRSKIGTVSQEPILFSCSIAENIAYG---ADDPSSVTAEEIQRVAEVANAVAFIRNFPQGFNTVVGEKGVLLSGGQKQRIAIARALLKNPKILLLDEATSALDAENEYLVQEALDRLMDGRTVLVIAHRL-STIKNANMVAVLDQGKITEYGKHEE-------------------


General information:
TITO was launched using:
RESULT:

Template: 4AYT.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 : 1084 23638 21.81 108.93
target 2D structure prediction score : 0.47
Monomeric hydrophicity matching model chain A : 0.75

3D Compatibility (PKB) : 21.81
2D Compatibility (Sec. Struct. Predict.) : 0.47
1D Compatibility (Hydrophobicity) : 0.75
QMean score : 0.450

(partial model without unconserved sides chains):
PDB file : Tito_4AYT.pdb:





(Unconserved sides chains are recalculated) :
Sequence: align-4AYT-query.scw
PDB file : Tito_Scwrl_4AYT.pdb: