Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MKLLLLHPAFQSCLLLTLLGLWRTTPEAHASSLGAPAISAASFLQDLIHRYGE--GDSLTLQQLKALLNHLDVGVGRGNVTQHVQGHRNLSTCFSSGDLFTAHNFSEQSRIGSSELQEFCPTILQQLDSRACTSENQENEENEQTEEGRPSAVEVWGYGLLCVTVISLCSLLGASVVPFMKKTFYKRLLLYFIALAIGTLYSNALFQLIPEAFGFNPLEDYYVSKSAVVFGGFYLFFFTEKILKILLKQKNEHHHGHSHYASESLPSKKDQEEGVMEKLQNGDLDHMIPQHCSSELDGKAPMVDEKVIVGSLSVQDLQASQSACYWLKGVRYSDIGTLAWMITLSDGLHNFIDGLAIGASFTVSVFQGISTSVAILCEEFPHELGDFVILLNAGMSIQQALFFNFLSACCCYLGLAFGILAGSHFSANWIFALAGGMFLYISLADMFPEMNEVCQEDERKGSILIPFIIQNLGLLTGFTIMVVLTMYSGQIQIG |
3KEV Chain:A ((6-40)) | ----------------------------------------KKAILELFQTYKEPLGNYIGAEGLQRLFEDIQVDPSDVVTLVLAWKLKASSTCEFSEKEFVEGLANLQVDSLEKLKRKLSSLRKEIEDPSKFRAFYQFVFQYSKEPSQRSLPAETAMALWDVLLRGRFSLLDSWLEFLKNNTHSISRDTWNLLYDFSQLKDLSDYDAWPVLIDDFVKWLKHE-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3KEV.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -8398 for 148 contacts (-56.7/contact) +
2D Compatibility (PS) -3691 + (NN) -4223 + (LL) 20908
1D Compatibility (HY) -2800 + (ID) 350
Total energy: 1446.0 ( 9.77 by residue)
QMean score : 0.470
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