Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MPDNTIQWDKDADGIVTLTMDDPSGSTNVMNEAYIESMGKAVDRLVAEKDSITGVVVASAKK-TFFAGGDVKTMIQARPEDAGDVFNTVETIKRQLRTLETLGKPVVAAINGAALGGGLEIALACHHRIAADVKGSQLGLPEVTLGLLPGGGGVTRTVRMFGIQNAFVSVLAQGTRFKPAKAKEIGLVDELVATVEELVPAAKAWIKEELKANPDGAGVQPWDKK---GYKMPGGTPSSPGLAAILPSFPSNLRKQLKGAPMPAPRAILAAAVEGAQVDFDTASRIESRYFASLVTGQVAKNMMQAFFFDLQAINAGGSRPE-GIGKTPIKRIGVLGAGMMGAGIAYVSAKAGYEVVLKDVSLEAAAKGKGYSEKLEAKALERGRTTQERSDALLARITPTADAADFKGVDFVIEAVFENQELKHKVFGEIEDIVEPNAILGSNTSTLPITGLATGVKRQEDFIGIHFFSPVDKMPLVEIIKGEKTSDEALARVFDYTLAIGKTPIVVNDSRGFFTSRVIGTFVNEALAMLGEGVEPASIEQAGSQAGYPAPPLQLSDELNLELMHKIAVATRKGVEDAGGTYQPHPAEAVVEKMIELGRSGRLKGAGFYEYADGKRSGLWPGL--RETF--------KS-GSSQPPLQDMIDRMLFAEALETQKCLDEGVLTSTADANIGSIMGIGFPPWTGGSAQFIVGYSGPAGTGKAAFVARARELAAAYGDRFLPPESLLS |
2WTB Chain:A ((8-705)) | ----KTVMEVGGDGVAVITLINPP--VNSLSFDVLYNLKSNYEEALS-RNDVKAIVITGA-KGRFSGGFDI------------EPKAGYISIDIITDLLEAARKPSVAAIDGLALGGGLELAMACHARISA--PAAQLGLPELQLGVIPGFGGTQRLPRLVGLTKAL-EMILTSKPVKAEEGHSLGLIDAVVPPA-ELVTTARRWALD--IV----GRRKPWVSSVSKTDKLPPLGEAR-E---ILTFAKAQTLKR-AP-NMKHPLMCLDAIEVGIVSGPRAGLEKEAEVASQVVKLDTTKGLIHVF-FSQRGTAKVPGVTDRGLVPRKIKKVAIIGGGLMGSGIATALILSNYPVILKEVNEKFLEAGIGRVKANLQSRVR----SQEKFEKTMSLLKGSLDYESFRDVDMVIEAVIENISLKQQIFADLEKYCPQHCILASNTSTIDLNKIGERTKSQDRIVGAHFFSPAHIMPLLEIVRTNHTSAQVIVDLLDVGKKIKKTPVVVGNCTGFAVNRMFFPYTQAAMFLVECGADPYLIDRAISKFGMPMGPFRLCDLVGFGVAIATATQFIENF------SERTYKSMIIPLMQEDK---------------------DPELKKYIEKARSISGVKLDPKLANLSEKDIIEMTFFPVVNEACRVFAEGIAVKAADLDIAGIMGMGFPPYRGGIMFWADSI------GSKYIYSRLDEWSKAYGEFFKPCAFLA- |
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General information:
TITO was launched using:
| RESULT:
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Template: 2WTB.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -250871 for 5646 contacts (-44.4/contact) +
2D Compatibility (PS) -70219 + (NN) -32149 + (LL) 1744
1D Compatibility (HY) -39200 + (ID) 9250
Total energy: -399945.0 ( -70.84 by residue)
QMean score : 0.550
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