Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MQRDHTMDYKESCPSVSIPSSDEHREKKKRFTVYKVLVSVGRSEWFVFRRYAEFDKLYNTLKKQFPAMALKIPAKRIFGDNFDPDFIKQRRAGLNEFIQNLVRYPELYNHPDVRAFLQMDSPKHQSDPSEDEDERSSQKLHSTSQNINLGPSGNPHAKPTDFDFLKVIGKG-SFGKVLLAKRKLD-GKFYAVKVLQKKIVL-NRKEQKHIMAERNVLLK-NVKHPFLVGLHYSFQTTE-KLYFVLDFVNGGELFFHLQR-ERSFPEHRARFYAAEIASALGYLHSIKIVYRDLKPENILLDSV-GHVVLTDFGLCKEGIAISDTTT--TFCGTPEYLAPEVIRKQ---PYDNTVDWWCLGAVLYEMLYGL-PPFYCRDVAEMYDNILHKPLSL--RPGVSLTAWSILEELLEKDRQNRLGA-KEDFLEIQNHPFFESLS---WADLVQKKIPPPFNPNVAGPDDIRNFDTAFTEETVPYSVCVSSDYSIVNASVLEADDAFVGFSYAPPSEDLFL |
1CDK Chain:A ((8-350)) | -----------------------------------------------------------------------------------------------------------------------KGSEQESVKEFLAKAKEDFLKKWENPAQNTA------H-LDQFERIKTLGT-GSFGRVMLVKHKETG-NHFAMKILDKQKVVK-LKQIEHTLNEKRILQAV--NFPFLVKLEYSFKDN-SNLYMVMEYVPGGEMFSHLRRI-GRFSEPHARFYAAQIVLTFEYLHSLDLIYRDLKPENLLIDQ-QGYIQVTDFGFAKRV-K--G--RTWTLCGTPEYLAPEIILS-KGY--NKAVDWWALGVLIYEMAAG-YPPFFADQPIQIYEKIVSGKVRFPS--HFSSDLKDLLRNLLQVDLTKRFGNLKDGVNDIKNHKWFA---TTDWIAIYQRKVEAPFIPKFKGPGDTSNFDDYEEEEIRVSI---------NEKCG----KEFSEF----------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 1CDK.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -158846 for 2562 contacts (-62.0/contact) +
2D Compatibility (PS) -35299 + (NN) -18089 + (LL) 10248
1D Compatibility (HY) -25600 + (ID) 6200
Total energy: -233786.0 ( -91.25 by residue)
QMean score : 0.430
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