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



Input alignment information:
Query sequenceMEKVFIKALPVLRILIEAGHQAYFVGGAVRDSYMKRTIGDVDIATDAAPDQVERLFQRTVDVGKEHGTIIVLWEDETYEVTTFRTESDYVDFRRPSEVQFISSLEEDLKRRDLTINAMAMTAD-GKVLDYFGGKKDIDQKVIRTVGKPEDRFQEDALRMLRAVRFMSQLGFTLSPETEEAIAKEKSLLSHVSVERKTIEFEKLLQGRASRQALQTLIQTRLYEELPGFYHKRENLISTSE-F-P--------------FFSLTSREELWAALL------INLGIVL---------------KDAPLFLKAWKLPGKVIKEAIHIADTFGQSLDAMTMYRAGKKALLSAAKISQLRQNEKLDEKKLKDIQYAYQNLPIKSLKDLDITGKDLLALRNRPAGKWVSEELQWIEQAVVTGKLSNQKKHIEEWLKTCGQH
3AQL Chain:A ((15-349))-KDISENALKVMYRLNKAGYEAWLVGGGVRDLLLGKKPKDFDVTTNATPEQVRKLFRNCRLVGRRFRLAHVMFGPEIIEVATFRG-------------NIFGSIEEDAQRRDFTINSLYYSVADFTVRDYVGGMKDLKDGVIRLIGNPETRYREDPVRMLRAVRFAAKLGMRISPETAEPIPRLATLLNDIPPAHLFEESLKLLQAGYGYETYKLLCEYHLFQPLFPTITRYFTENGDSPMERIIEQVLKNTDTRIHNDMRVNPAF-LFAAMFWYPLLETAQKIAQESGLTYHDAFALAMNDVLDEACRSLAIPKRLTTLTRDIWQL------------------------------------------------------------------------------------------------------------


General information:
TITO was launched using:
RESULT:

Template: 3AQL.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 : 1202 -72742 -60.52 -265.48
target 2D structure prediction score : 0.59
Monomeric hydrophicity matching model chain A : 0.70

3D Compatibility (PKB) : -60.52
2D Compatibility (Sec. Struct. Predict.) : 0.59
1D Compatibility (Hydrophobicity) : 0.70
QMean score : 0.466

(partial model without unconserved sides chains):
PDB file : Tito_3AQL.pdb:





(Unconserved sides chains are recalculated) :
Sequence: align-3AQL-query.scw
PDB file : Tito_Scwrl_3AQL.pdb: