Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MKISKFVFLFLFCLGFNLQASGTLNIEEVITRKGFKFLFVENCDLPKVSLNISFKDAGYAYENVEKQGLTWFTSLAIQEGAGKND-AKDFAKKLEDKGISLNFIAGLEAFRASLNTLSENLEEAVSLLSDAIMHPKVDLEGLNRAFEKAKVNFNNLEKDPYFIAGKELNTLLFKKHPYSKSEYGILDTIMSI----TRDDVLAYVKRNFTKDNIVISVVGCTTKEEVSALLDKYLSKLPLKRSKVRKIPVK-NN-FGPAESKNIFMDIPQSVIFFAQKGIAY-EDPDYYSASVLINALGGMGLNSILMKELRQNLGITYGVFAHIIPN--KHGNAIVGNMSTDS---STAGKAILAVKDTLSRIKREGIDEQLFKDAKTILVNNLTFFL-----SNNTNTAMLLDDMQINDRDVNRINNYADIINDVKLEKVNELASSLLDPENLFFVKVGRNT |
1Q2L Chain:A ((16-438)) | --------------------KDNRQYQAIRLDNGMVVLLVSDPQAVKSLSALVVP-VGSLEDPEAYQGLAHYLEHMSLMGSKKYPQADSLAEYLKMHGGSHNASTAPYRTAFYLEVENDALPGAVDRLADAIAEPLLDKKYAERERNAVNAELTMARTRDGMRMAQVSAETINPAHPGSKFSGGNLETLSDKPGNPVQQALKDFHEKYYSANLMKAVIYSNKPLPELAKMAADTFGRVPNKESKKPEITVPVVTDAQKGIIIHYVPALPRKVLRVEFRIDNNSAKFRSKTDELITYLIGN-RSPGTLSDWLQK-QGLVEGISANSDPIVNGNSGVLAISASLTDKGLANRDQVVAAIFSYLNLLREKGIDKQYFDELANVLDIDFRYPSITRDMDYVEWLADTMIRV----PVEHTLD-AVNIADRYDAKAVKERLAMM-TPQNARIWYISPKE |
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General information:
TITO was launched using:
| RESULT:
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Template: 1Q2L.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -122301 for 3303 contacts (-37.0/contact) +
2D Compatibility (PS) -43536 + (NN) -20180 + (LL) 2452
1D Compatibility (HY) 2000 + (ID) 3250
Total energy: -184815.0 ( -55.95 by residue)
QMean score : 0.403
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