Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MSTIRTTQMQVDHKTSLIIDAVEKFGGEVRLVGGCVRDSILQRKVHDIDLATNLLPSQVIEALKFHNIKAIPTGLKHGTITAVLNQRSFEITTLRHDVKCDGRHAKVEFTDNWRADASRRDFTFNALYANKYGHIYDYFGGTQDLKARRLNFIGNAEDRIKEDYLRILRAFRFHAKIC--IGDMSDKILNVCKKHAHKIYNLSGERIRDEMFKLLEYDAPVPTLKSMQKSDVLQKI-IPKEVKCE----ILSSAFLFGTDALVKLALLLRTTEKNDRLSLGEYVSKFLRLSNKQKKKLLFLLSNN---IKTELTEKEQRKYISLLGKELYCD-LVKVCGVESGANVDEYISLAQVLNIQKFPLSGDDLINIGYQPGKNLGRNLKLLRQHWEDSSYTLTKKELMLYAKSLL |
4X4W Chain:B ((32-409)) | ---------------------------ELRIAGGAVRDLLNGVKPQDIDFATTATPTQMKEMFQSAGIRMIN-----GTITARLHEENFEITTLRIDVTTD---AEVEFTTDWQKDAERRDLTINSMFLGFDGTLFDYFNGYEDLKNKKVRFVGHAKQRIQEDYLRILRYFRFYGRIVDKPGDHDPETLEAIAENAKGLAGISGERIWVELKKILVGNHVNHLIHLIYDLDVAPYIGLPANASLEEFDKVSKNVDGFSPKPVTLLASLFKVQDDVTKLDLR------LKIAKEEKNLGLFIVKNRKDLIKATDSSDPLKPYQDFIIDS---DATTRVCELLKYQGEHCLLKEMQQWSIPPFPVSGHDIRKVGISSGKEIGALLQQLREQWKKSGYQMEKDELLSYIKKTL |
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General information:
TITO was launched using:
| RESULT:
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Template: 4X4W.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -146353 for 2663 contacts (-55.0/contact) +
2D Compatibility (PS) -37593 + (NN) -11228 + (LL) 3152
1D Compatibility (HY) -22400 + (ID) 6450
Total energy: -220872.0 ( -82.94 by residue)
QMean score : 0.459
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