Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MSKIKIVTDSSITIEPELIKELDITVVPLSVMIDG-TLYSDN-DLKAQGEFLNLMRGSKELPKTSQPPVGVFAEIYEKLMNEGAEHIIAIHLTHTLSGTIEASRQGANI-----AGADVTVIDSTFTDQCQKFQVVEAAKLAKEGADLDTILARVEEVRQKSELFIGVSTLENLVKGGRIGRVTGLLSSLLNIKVIMELTNHELVPIVKGRGLKTFSKWLDNFVESAQTRKIAEIGISYCGKADMANNFKEKLAVLGAPISVLETGSIIQTHTGEDAFAVMVRYE |
3NYI Chain:A ((6-197)) | ----KIVSDSACDLSKEYLEKHDVTIVPLSVSFDGETYYRDGVDITRDECYQRMVDDPKLFPKTSLPSVESYADVFRSFVEQGFP-VVCFTITTLFSGSYNSAINAKSLVLEDYPDANICVIDSKQNTVTQALLIDQFVRMLEDGLSFEQAMSKLDALMASARIFFTVGSLDYLKMGGRIGKVATAATGKLGVKPVIIMKDGDIGLGGIGRNRNKLKNSVLQVAKKYLDENNKDNFIVSVGYGYDKEEGFEFMKEVESTLDVKLDSETNVAIGIVSAVHTGPYPI |
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General information:
TITO was launched using:
| RESULT:
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Template: 3NYI.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -76722 for 1340 contacts (-57.3/contact) +
2D Compatibility (PS) -20499 + (NN) -7639 + (LL) 492
1D Compatibility (HY) -16400 + (ID) 2500
Total energy: -123268.0 ( -91.99 by residue)
QMean score : 0.463
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