Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
| Query sequence | MGAAAKLAFAVFLISCSSGAILGRSETQECLFFNANWEKDRTNQTGVEPCYGDKDKRRHCFATWKNISGSIEIVKQGCWLDDINCYDRTDCVEKKDSPEVYFCCCEGNMCNEKFSYFPEMEVTQPTSNPVTPKPPYYNILLYSLVPLMLIAGIVICAFWVYRHHKMAYPPVLVPTQDPGPPPPSPLLGLKPLQLLEVKARGRFGCVWKAQLLNEYVAVKIFPIQD-------KQSWQNEYEVYSLPGMKHENILQFIGAEKRGTSVDVDLWLITAFHEKGSLSDFLKA----NVVSWNELCHIAETMARGLAYLHEDIPGLKDGHKPAISHRDIKSKNVLLKNNLTACIADFGLALKFEAGKSAGDTHGQVGTRRYMAPEVLEGAINFQRDAFLRIDMYAMGLVLWELASRCTAADGPVDE-YMLPFEEEIGQH-PSLEDMQEVVVHKKKRPVLRDYWQKHAGMAMLCETIEECWDHDAEARLSAGCVGERITQMQRLTNIITTEDIVTVVTMVTNVDFPPKESSL |
| 2NRU Chain:A ((40-305)) | ------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------GEGGFGVVYKGYVNNTTVAVKKLAAMVDITTEELKQQFDQEIKV--MAKCQHENLVELLGFSSDGD----DLCLVYVYMPNGSLLDRLSCLDGTPPLSWHMRCKIAQGAANGINFLHEN----------HHIHRDIKSANILLDEAFTAKISDFGLARASEKFAQTVMTSRIVGTTAYMAPEALRGEIT------PKSDIYSFGVVLLEIITGLPAVDEHREPQLLLDIKEEIEDEEKTIED----YIDKKMNDADST------SVEAMYSVASQCLHEKKNKRPDIKKVQQLLQEMT------------------------------ |
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General information:
TITO was launched using:
| RESULT:
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Template: 2NRU.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -153235 for 2014 contacts (-76.1/contact) +
2D Compatibility (PS) -26770 + (NN) -4861 + (LL) 15492
1D Compatibility (HY) -18800 + (ID) 4350
Total energy: -192524.0 ( -95.59 by residue)
QMean score : 0.475
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