Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
| Query sequence | ------------------------MRKIVLVAIALLISGCASYKITPEHVTSYNN------GIQVMTSTQARSKVQLEIAQSK------LKGLNESPLVLYVAAQVLEGKPVVFSRKAISVSINQTNLPVLSLRQVMKSSFDFEGILQSF--NISVPTAPIDNINMI---TPPMFYYGQGSFL---AYNGMMYGGMGMYGPGFGMM----MMDDVEEQEVMQESRQALKILAINYLKKNTLNVENKAKGGFVVVDTKNLKTPGVV-----VVKVFLEDEIHTFKIDISKM-------------------- |
| 2A8J Chain:A ((41-416)) | GGFVLVHAGAGYHSESKAKEYKHVCKRACQKAIEKLQAGALATDAVTAALVELEDSPFTNAGMGSNLNLLGEIECDASIMDGKSLNFGAVGALSGIKNPVSVANRLLCEGQKGKLGRIPPCFLVGEGAYRWAVDHGIPSCPTVGAVVVDHEGNVAAAVSSGGLALKHPGRVGQAALYGCGCWAENTGAHNPYSTAVSTSGCGEHLVRTILARECSHALQAEDAHQALLETMQNKFISSPFLASEDGVLGGVIVLRSCLLVEFLWSHTTESMCVGYMSAQDGKAKTHISRLPPGAVAGQSVAIEGGVCRLE |
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General information:
TITO was launched using:
| RESULT:
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Template: 2A8J.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -88368 for 2038 contacts (-43.4/contact) +
2D Compatibility (PS) -24828 + (NN) -94 + (LL) 0
1D Compatibility (HY) 800 + (ID) 1400
Total energy: -113890.0 ( -55.88 by residue)
QMean score : 0.214
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