Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MSANDRRDRRVRVAVVFGGRSNEHAISCVSAGSILRNLDSRRFDVIAVGITPAGSWVLTDANPDALTITN-RELPQVKSGSGTELALPADPRRGGQLVSLPPG---AGEVLESVDVVFPVLHGPYGEDGTIQGLLELAGVPYVGAGVLASAVGMDKEFTKKLLAADGLPVGAYAVLRPPRSTL-H-RQECERLGLPVFVKPARGGSSIGVSRVSSWDQLPAAVARARRHDPKVIVEAAISGRELECGVLEMPDGTLEASTLGEIRVAGVRGREDSFYDFATKYLDDA-AELDVPAKVDDQVAEAIRQLAIRAFAAIDCRGLARVDFFLTDD-GPVINEINTMPGFTTISMYPRMWAASGVDYPTLLATMIETTLARGVGLH |
3I12 Chain:A ((2-356)) | --------AKLRVGIVFGGKSAEHEVSLQSAKNIVDAIDKTRFDVVLLGIDKAGQWHVNDAENYLQNADDPAHIAL-RPS---AISL---AQVPGKHQHQLINAQNGQ-PLPTVDVIFPIVHGTLGEDGSLQGMLRVANLPFVGSDVLSSAACMDKDVAKRLLRDAGLNIAPFITLTRTNRHAFSFAEVESRLGLPLFVKPANQGSSVGVSKVANEAQYQQAVALAFEFDHKVVVEQGIKGREIECAVLGN-DNP-QASTCGEIVL----N--SEFY--DTKYIDDNGAQVVVPAQIPSEVNDKIRAIAIQAYQTLGCAGMARVDVFLTADNEVVINEINTLPGFTNISMYPKLWQASGLGYTDLISRLIELALERHTA-- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3I12.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -192326 for 2907 contacts (-66.2/contact) +
2D Compatibility (PS) -38755 + (NN) -23388 + (LL) 1148
1D Compatibility (HY) -34800 + (ID) 7700
Total energy: -295821.0 ( -101.76 by residue)
QMean score : 0.547
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