Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MHLESIVLRN--FRNYENLEL-EFSPSV-----NVFLGENAQGKTNLLEA-VL-----MLALAKSHRTTNDKDFIMWEKEEAKMEGRIAKHGQSVPLELAITQKGKRAKVNHLEQKKLSQYVGNLNVVIFAPEDLSLVKGAPGIR-R-RFLNMEI-GQM-QPIYLHNLSEYQRILQQRNQYLKMLQMKRKVDPILLDILTEQFA-DVAIN-LTKRRADFIQKLEAYAAPIHHQISRGLETLKIEYKASITLNGDDPEVWKADLLQKMESIKQREIDRGVTLIGPHRDDSLFYINGQNVQ-DFGSQGQQRTTALSIKLAEIDLIHEETGEYPVLLLDDVLSELDDYRQSHLLGAIEGKVQTFVTTTSTSG--IDHETLKQATTFYVEKGTVKKS- |
3DSM Chain:A ((1-327)) | --ASGLFITNEGNFQYSNATLSYYDPATCEVENEVFYRANGFKLGDVAQSMVIRDGIGWIVVNNSH------VIFAIDINTFKEVGRIT--GFTSPRYIHFLSD-EKAYVTQ---------IWDYRIFIINPKTYEITGYIECPDMDMESGSTEQMVQYGKYVYVNCWSYQNRILKIDTETDKVVDELT------IGIQPTSLVMDKYNKMWTITDGGYEGSPYGYEAPSLYRID--AETFTVEKQFKFKL-GDWPS--------------------EVQLNGTR--DTLYWINNDIWRMPVEADRVPVRPFLEFRDTKYYGLTVNPNNGEVYVAD----------------AIDYQQQGIVYRYSPQGKLIDEFYVGIIPGAFCWKLEHHHHH |
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General information:
TITO was launched using:
| RESULT:
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Template: 3DSM.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -55578 for 2391 contacts (-23.2/contact) +
2D Compatibility (PS) -31390 + (NN) 2330 + (LL) 4500
1D Compatibility (HY) -14800 + (ID) 3100
Total energy: -98038.0 ( -41.00 by residue)
QMean score : 0.150
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