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



Input alignment information:
Query sequenceMAGYTPMIQQYLKIKAEHQDAFLFFRLGDFYEMFFEDAKKASQELEITLT---SRDGGAAEKIPMCGVPYHSASAYIEQLIKKGYKVAICEQTEDPKAAKGVVKREVVQLITPGTVMDGKGIHESENNFIASVSACSNGYGLALSDLTTGENLAVLIERLEDVISEIYSVGAREIVVSGSL--DADTVAQLRERCGATISIEDGETDEHVTIIEHLNNEDITKTFLRLYTYLKRTQKRSLDHLQPVQVYELEEAMKIDLYSKRNLELTETIRSKNKKGSLLWLLDETKTAMGGRLLKQWIDRPLIRVNQIEERQEMVETLMSHFFEREDLRERLKEVYDLERLAGRVAFGNVNARDLIQLKESLKQVPGIKQLVASLAHDKAKERAKRIDPCGDVLELLEEALYENPPLSVKEGNLIKDGYNQKLDEYRDASRNGKDWIARLEQQEREYTGIRSLKVGFNKVFGYYIEVTKANLHLLEEGRYERKQTLTNAERYITPELKEKEALILEAENNICELEYELFTELREKVKQYIPRLQQLAKQMSELDALQCFATISENRHYTKPEFSKDEVEVIEGRHPVVEKVMDSQEYVPNNCMMGDNRQMLLITGPNMSGKSTYMRQIALISIMAQIGCFVPAKKAVLPIFDQIFTRIGAADDLISGQSTFMVEMLEAKNAIVNATKNSLILFDEIGRGTSTYDGMALAQAIIEYVHDHIGAKTLFSTHYHELTVLEDKLPQLKNVHVRAEEYNGTVVFLHQIKEGAADKSYGIHVAQLAELPGDLIARAQDILKELEHSGNKPEVPVQKPQVKEEPAQLSFFDEAEKPAETPKLSKKEKQVIDAFKSLNILDMTPLEAMNEMYKLQKKLH
1NNE Chain:A ((15-762))-----PLLQQYVELRDQYPDYLLLFQVGDFYECFGEDAERLARALGLVLTHKTSKDF----TTPMAGIPLRAFEAYAERLLKMGFRLAVADQVEPAEEAEGLVRREVTQLLTPGTLLQ-ESLLPREANYLAAI-ATGDGWGLAFLDVSTGEFKGTVLKSKSALYDELFRHRPAEVLLAPELLENGAFLDEFRKRFPVMLSEAPFEPEGEGPLA-------LRRARGALLAYAQRTQGGALS-LQPFRFYDPGAFMRLPEATLRALEVFEPLRGQD---TLFSVLDETRTAPGRRLLQSWLRHPLLDRGPLEARLDRVEGFVREGALREGVRRLLYRLADLERLATRLELGRASPKDLGALRRSLQILPELRALLGEEVG---------LPDLSPLKEELEAALVEDPPLKVSEGGLIREGYDPDLDALRAAHREGVAYFLELEERERERTGIPTLKVGYNAVFGYYLEVTRPYYERVPK-EYRPVQTLKDRQRYTLPEMKEKEREVYRLEALIRRREEEVFLEVRERAKRQAEALREAARILAELDVYAALAEVAVRYGYVRPRFG-DRLQIRAGRHPVVER---RTEFVPNDLEMAH--ELVLITGPNMAGKSTFLRQTALIALLAQVGSFVPAEEAHLPLFDGIYTRIGA------GKSTFMVEMEEVALILKEATENSLVLLDEVGRGTSSLDGVAIATAVAEALHER-RAYTLFATHYFELTAL--GLPRLKNLHVAAREEAGGLVFYHQVLPGPASKSYGVEVAAMAGLPKEVVARARALLQAM--------------------------------------------------------------------------


General information:
TITO was launched using:
RESULT:

Template: 1NNE.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 : 3801 -380478 -100.10 -516.25
target 2D structure prediction score : 0.65
Monomeric hydrophicity matching model chain A : 0.81

3D Compatibility (PKB) : -100.10
2D Compatibility (Sec. Struct. Predict.) : 0.65
1D Compatibility (Hydrophobicity) : 0.81
QMean score : 0.509

(partial model without unconserved sides chains):
PDB file : Tito_1NNE.pdb:





(Unconserved sides chains are recalculated) :
Sequence: align-1NNE-query.scw
PDB file : Tito_Scwrl_1NNE.pdb: