Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MPAP----RAPRALAAAAPASGK---AKLTHPGKAILAGGLAGGIEICITFPTEYVKTQLQLDERSHPPRYRGIGDCVRQTVRSHGVLGLYRGLSSLLYGSIPKAAVRFGMFEFLSNHMRDAQGRLDSTRGLLCGLGAGVAEAVVVVCPMETIKVKFIH------DQTSPNPKYRGF-FHGVREIVREQGLKGTYQGLTATVLKQGSNQAIRFFVMTSLRNWYRGDNPN---------KPMNPLITG--VFGAIAGAASVFGNTPLDVIKTRMQGLEAHK---------YRNTWDCGLQILKKEGLKAFYKGTVPRLGRVCLDVAIVFVIYDEVVKLLNKVWKTD--- |
5RUB Chain:A ((136-457)) | FDGPSVNISALWKVLGRPEVDGGLVVGTIIKPKLGLRPKPFAEACHAFWLG-GDFIKN----DEPQGNQPFAPLRDTIALVADAMRRAQDETGEAKLFSANIT--ADDPFEIIARGEYVLETFGENASHVALLVDGYVAGAAAITTARRRFP--DNFLHYHRAGHGAVTSPQSKRGYTAFVHCKMARLQGASGIHTG-TS---------SDRAIAYMLTQDEAQGP---FYRQSWGGMKACTPIISGGMNALRMPGFFENLGNA--NVILTAGGGAFGHIDGPVAGARSLRQAWQAWRD-----------GVPVLDYAREHKELARAFESFPGDADQIYPGWRKALGV |
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General information:
TITO was launched using:
| RESULT:
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Template: 5RUB.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -101800 for 2152 contacts (-47.3/contact) +
2D Compatibility (PS) -28388 + (NN) -7123 + (LL) 2332
1D Compatibility (HY) 4400 + (ID) 2500
Total energy: -133079.0 ( -61.84 by residue)
QMean score : 0.190
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