Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MSANDRRDRRVRVAVVFGGRSNEHAISCVSAGSILRNLDSRRFDVIAVGITPAGSWVLTDANPDALTITNRELPQV---KSGSGTELALPADPRRGGQLVSLPPGAGEVLESVDVVFPVLHGPYGEDGTIQGLLELAGVPYVGAGVLASAVGMDKEFTKKLLAADGLPVGAYAVLRPPRSTLHRQECE----RLGLPVFVKPARGGSSIGVSRVSSWDQLPAAVARARRHDPKVIVEAAISGRELECGVLEMPDGTLEASTLGEIRVAGVRGREDSFYDFATKYLDDAAELDVPAKVDDQVAEAIRQLAIRAFAAIDCRGLARVDFFLTDDGP-VINEINTMPGFTTISMYPRMWAASGVDYPTLLATMIETTLARGVGLH |
4ME6 Chain:A ((21-372)) | --------RKIRVGLIFGGKSAEHEVSLQSARNILDALDPQRFEPVLIGIDKQGQWHVND--PDSFLLHADDPARIALHRSGRGVAL-LPGAQQQ--QLRPIQ-------AQIDVVFPIVHGTLGEDGSLQGLLRMANLPFVGSGVLGSAVAMDKDMAKRVLRDARLAVAPFVCF--DRHT-AHADVDTLIAQLGLPLFVKPANQ---VGVSQVRTADAFAAALALALAYDHKVLVEAAVAGREIECAVL--GNAVPHASVCGEVV-----------------------EIVIPADIDAQTQQRIQQIAVQAYQALGCAGMARVDVFLCADGRIVINEVNTLPGFTRISVYPKLWQASGLDYRGLITRLIELALER----- |
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General information:
TITO was launched using:
| RESULT:
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Template: 4ME6.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -199811 for 2605 contacts (-76.7/contact) +
2D Compatibility (PS) -35376 + (NN) -22548 + (LL) 1904
1D Compatibility (HY) -37200 + (ID) 7400
Total energy: -300431.0 ( -115.33 by residue)
QMean score : 0.638
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