Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MNREMLYLNRSDIEQAGGNHSQVYVDALTEALTAHAHNDFVQPLKPYLRQDPENGHIADRIIAMPSHIGGEHAISGIKWIGSKHDNPSKRNMERASGVIILNDPETNYPIAVMEASLISSMRTAAVSVIAAKHLAKKGFKDLTIIGCGLIGDKQLQSMLEQFDHIKRVFVYDQFSEACARFVDRWQQQRPEINFIATENAKEAVSNGEVVITCTVTDQPYIEYDWLQKGAFISNISIMDVHKEVFIKADKVVVDDWSQCNREKKTINQLVLEGK-----------FSKEALHAELGQLVTGDIPGREDDDEIILLNPMGMAIEDISSAYFIYQQAQQQNIGTTLNLY |
4BVA Chain:A ((84-328)) | ---------------------------------------------------------------MPAYSAAEDALT-TKLV-TFYE--------SHQASVLLFDPSNGSLLAVMDGNVITAKRTAAVSAIATKLLKPPGSDVLCILGAGVQAYSHYEIFTEQFS-FKEVRMWNRTRENAEKFASTVQG-----DVRVCSSVQEAVTGADVIITVTMATEPILFGEWVKPGAHINAVGASR--------------PDWRELDDELMRQAVLYVDSREAALKESGDVLLSGADIFAELGEVISGAKPAH--CEKTTVFKSLGMAVEDLVAAKLVY--------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 4BVA.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -132188 for 1895 contacts (-69.8/contact) +
2D Compatibility (PS) -24319 + (NN) -9209 + (LL) 7280
1D Compatibility (HY) -14400 + (ID) 3250
Total energy: -176086.0 ( -92.92 by residue)
QMean score : 0.395
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