Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MSMNLVTLLYLIASVCFIQALKGLSHPTTSRRGNLFGMVGMAIAVATTVGLVFKLGAEIATTGVGYIVVGLLVGGTAGSIMAKRVEMTKMPELVAFMHSMIGLAAVFIAIAAVVEPQSLGIVAHLGDTIPTGNRLELFLGAAIGAITFSGSVIAFGKLSGKYKFRLFQGTPVQFSGQHLLNLVLGLATLGLGLVFMFTGNLTAFAVMLALAFVLGVLIIIPIGGADMPVVVSMLNSYSGWAAAGIGFSLNNSMLIIAGSLVGSSGAILSYIMCKAMNRSFFNVILGGFGAEADAGGPAGSKEQRPVKSGSADDASFLLTNADSVIIVPGYGLAVARAQHALMELAEKLTHRGVTVKFAIHPVAGRMPGHMNVLLAEAEVPYEQVFEMEDINSEFGQTDVVLVLGANDVVNPAAKNDPKSPIAGMPILEAYKAKTVIVNKRSMASGYAGLDNELFYLDKTMMVFGDAKKVIEDMVKAVE |
2BRU Chain:C ((20-186)) | ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------AEETAELLKNSHSVIITPGYGMAVAQAQYPVAEITEKLRARGINVRFGIHPVAGRLPGHMNVLLAEAKVPYDIVLEMDEINDDFADTDTVLVIGANDTVNPAAQDDPKSPIAGMPVLEVWKAQNVIVFKRSMNTGYAGVQNPLFFKENTHMLFGDAKASVDAILKAL- |
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General information:
TITO was launched using:
| RESULT:
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Template: 2BRU.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -139835 for 1513 contacts (-92.4/contact) +
2D Compatibility (PS) -17359 + (NN) -5672 + (LL) 22620
1D Compatibility (HY) -18400 + (ID) 5150
Total energy: -163796.0 ( -108.26 by residue)
QMean score : 0.586
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