Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
| Query sequence | MKESFKLIATAAAGLEAIVGREIRNLGIDCQVENGRVRFHGDIKTIIETNLWLRAADRIKIIVGEFPARTFEELFQGVYGLDWENYLPLGAKFPIAKAKCVKSKLHNEPSVQAISKKAVAKKLQKVFHRPEGVPLQENGAEFKIEVSILKDKATVMIDTTGSSLFKRGYRAEKGGAPIKENMAAAIIQLSNWFPDKPLIDPTCGSGTFCIEAAMIGMNIAPGFNRDFAFEAWPWVDQSQVQKVRDEAESKANYDIDLDISGFDLDGRMVEIARKNAEEAGLGDVIKLKQMRLQDLKTDKINGVIISNPPYGERLLDDKAVDILYNEMGQTFAPLKTWSKFILTSDEGFEKKYGSQADKKRKLYNGTLKVDLYQYYGERVRRQVK |
| 3K0B Chain:A ((12-384)) | -MKSFQLVATAASGLEAIVGKEVARLGYDPKVENGKVYFEGDLSAIARANLWLRVADRVKIVVGVFKATTFDELFEKTKALPWEDYLPLDAQFPVAG-KSVKSTLYSVPDCQAIVKKAIVNRVSEKYRRSGRLME--TGALFKLEVSILKDEVTLTIDTSGAGLHKRGYRLAQGSAPIKETMAAALVLLTSWHPDRPFYDPVCGSGTIPIEAALIGQNIAPGFNREFVSETWDWMPKQVWADARQEAEDLANYDQPLNIIGGDIDARLIEIAKQNAVEAGLGDLITFRQLQVADFQTEDEYGVVVANPPYGERLEDEEAVRQLYREMGIVYKRMPTWSVYVLTSYELFEEVYGKKATKKRKLY----RTDLYQYWGP------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3K0B.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -197789 for 3130 contacts (-63.2/contact) +
2D Compatibility (PS) -39742 + (NN) -14655 + (LL) 1420
1D Compatibility (HY) -34400 + (ID) 10150
Total energy: -295316.0 ( -94.35 by residue)
QMean score : 0.574
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