Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MKRISKDIWAVFKLLYQNKGRFSINALLLQLIMIFISSTYLILLFNMMLKVAGQSQLTINNWMEIISHPASVILLIIFILSVAFLIYVEFSLLVYMVYAGFDRQIITFKSIFKNAFVNVRKLIGVPVIFFVIYLMLMIPIANLGLSSVLTKNIYIPKFLTEELMKTTKGIIIYGTFMIAVFILNFKLIFTLPLTILNRQSLFKNMRLSWQITKRNKFRLVIEIVILELIIGAILTLIISGATYLAICVDEEGDKFLVSSILFVVLKSALFFYYLFTKLSLISVLVLHLKQENVLDQPGLEFKYPKSKRKSRFFIISMVLAVTCFIGYNMYLLYNNTINTNISIIGHRGFEDKGVENSIPSLKAAAKANVEYVELDTIMTKDKQFVVSHDNNLKRLTGVNKNISESNFKDVVGLKMRQNGHEAKLVSLDEFIETAKQSNVKLLVELKP--HGKEPADYTQRVIDILKKHGVEHQYRVMSLDYDVMTKLKKEAPYLKCGYIIP-----LQFGHFKETSLDFFVIE-----DFSYSPRLVNQAHLENKEVYTWTINGEEDLTKYLQTNVDGIITDDPALADQIKEEKKDETYFDRSIRILFE |
3KS5 Chain:A ((5-247)) | ------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------IASHRGGTLEFGDSTPHGFTATAAMALEEVEFDLHPTADGAIVVHHDPTLDATTDMTGAIVDMTLAKVKTATIRY-GAGSHPMTLEELCALYVDSHVNFRCEIKPGVDGLPYEGFVALVIAGLERHSMLERTTFSSFLLASMDELWKATTRPRLWLVSPSVLQQLGPGAVIETAIAHSIHEIGVHIDTADA-GLMAQVQAAGLDFGCWAAHTPSQITKALDLGVKVFTTDRPTLAIALRTEHRME------------ |
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General information:
TITO was launched using:
| RESULT:
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Template: 3KS5.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -48421 for 1894 contacts (-25.6/contact) +
2D Compatibility (PS) -24972 + (NN) -8094 + (LL) 35616
1D Compatibility (HY) -7600 + (ID) 2950
Total energy: -56421.0 ( -29.79 by residue)
QMean score : 0.493
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