Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MKKYSAIPTPCYALESERLEKNAKILEIVRQQSGAKVLLALKGYAFWREFGILRQKLNGCCASGLYEAKLAFEEFGGRESHKEICVYSPAFKEAEMSAILPLAT-SIIFNSFHQYATYKDRILDKNKQLENLGLSPIKMGLRINPLYSEVTPAIYNPCSKMSRLGITPSGFEKGVKE---HGLEGVSGLHFHTHCEQN-ADALCRTLEHVERHFKPY---LENMAWVNFGGGHHITRSDYDVNLLIQTIKDFKERYHNTEVILEPGEAIGWQCGFLIASVIDIVQ-NDQEIAILDASFSAHMPDCLEMPYRP-SILKVSVENDEEIIEVEKGENQGAFSYFLGGPTCLAGDFMGS-FSFETPLKRGDKIVFQDMLHYTIVKNNSFNGVPLPSLAKIDSQGFKILKS-FSYEDYKNRN |
3N2B Chain:A ((47-434)) | ---ANQYGTPLYVYSRATLERHWHAFDKSVGDYPHLICYAVKANSNLGVLNTLARLGSGFDIVSVGELERVLAA--GG-DPSKVVFSGVGKTEAEMKRALQLKIKCFNVESEPELQRLNKVAGE--------LGVKAPISLRINPDVDAKTHPYISTGLRDNKFGITFDRAAQVYRLAHSLPNLDVHGIDCHIGSQLTALAPFIDATDRLLALIDSLKAEGIHIRHLDVGGGLGVVY--PQPSEYAKALLDRLERHRDLELIFEPGRAIAANAGVLVTKVEFLKHT--KNFAIIDAAMNDLIR-------QDIIPLRP--------------RQGEAQTYDLVGPVCETSDFLGKDRDL--VLQEGDLLAVRSSGAYGFTMSSNYNTRPRVAEVMVDGNKTYLVRQREELSSLWALE |
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General information:
TITO was launched using:
| RESULT:
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Template: 3N2B.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -192411 for 3020 contacts (-63.7/contact) +
2D Compatibility (PS) -38297 + (NN) -5373 + (LL) 2280
1D Compatibility (HY) -10400 + (ID) 3350
Total energy: -247551.0 ( -81.97 by residue)
QMean score : 0.389
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