@> 3578 atoms and 1 coordinate set(s) were parsed in 0.12s.
@> 3714 atoms and 1 coordinate set(s) were parsed in 0.13s.

Visualizations and results¶

Original Structure Visualization¶

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@> 3578 atoms and 1 coordinate set(s) were parsed in 0.12s.
@> 3714 atoms and 1 coordinate set(s) were parsed in 0.12s.
5keqF_TEMP
Blue:1dzlA
Red:5keqF

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AlphaFold predictions¶

Best AF prediction to fold 1¶

@> 3582 atoms and 1 coordinate set(s) were parsed in 0.12s.
@> 3578 atoms and 1 coordinate set(s) were parsed in 0.12s.
Blue:ShallowMsa_018_unrelaxed_rank_001_alphafold2_ptm_model_4_seed_000
Red:1dzlA

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Best AF prediction to fold 2¶

@> 3582 atoms and 1 coordinate set(s) were parsed in 0.12s.
@> 3714 atoms and 1 coordinate set(s) were parsed in 0.12s.
@> 3582 atoms and 1 coordinate set(s) were parsed in 0.12s.
@> 3714 atoms and 1 coordinate set(s) were parsed in 0.12s.
5keqF_TEMP
Blue:ShallowMsa_012_unrelaxed_rank_001_alphafold2_ptm_model_5_seed_000
Red:5keqF

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EsmFold Prediction¶

Out[10]:
fold_pair fold TMscore_fold1 TMscore_fold2 cluster_num TM_mean_cluster_pdb1 TM_mean_cluster_pdb2 sample_count is_fold_1 is_fold_2 cluster_fold_1 cluster_fold_2
0 1dzlA_5keqF ShallowMsa_000_1.pdb 0.21478 0.22071 000 0.281451 0.2755 10 1 0 1 0
1 1dzlA_5keqF ShallowMsa_000_0.pdb 0.23730 0.24378 000 0.281451 0.2755 10 1 0 1 0
2 1dzlA_5keqF ShallowMsa_000_2.pdb 0.38172 0.36978 000 0.281451 0.2755 10 1 0 1 0
3 1dzlA_5keqF ShallowMsa_000_3.pdb 0.38407 0.38314 000 0.281451 0.2755 10 1 0 1 0
4 1dzlA_5keqF ShallowMsa_000_7.pdb 0.18823 0.17477 000 0.281451 0.2755 10 1 0 1 0

Best EsmFold prediction to fold 1¶

@> 3578 atoms and 1 coordinate set(s) were parsed in 0.12s.
@> 3337 atoms and 1 coordinate set(s) were parsed in 0.11s.
@> 3578 atoms and 1 coordinate set(s) were parsed in 0.12s.
reference and target coordinate arrays must have same number of atoms
@> 3337 atoms and 1 coordinate set(s) were parsed in 0.11s.
ShallowMsa_000_3_TEMP
Blue:1dzlA
Red:ShallowMsa_000_3

3Dmol.js failed to load for some reason. Please check your browser console for error messages.

Best EsmFold prediction to fold 2¶

@> 3714 atoms and 1 coordinate set(s) were parsed in 0.12s.
@> 3670 atoms and 1 coordinate set(s) were parsed in 0.12s.
@> 3714 atoms and 1 coordinate set(s) were parsed in 0.12s.
reference and target coordinate arrays must have same number of atoms
0.29606
@> 3670 atoms and 1 coordinate set(s) were parsed in 0.12s.
ShallowMsa_008_6_TEMP
Blue:5keqF
Red:ShallowMsa_008_6

3Dmol.js failed to load for some reason. Please check your browser console for error messages.

Out[13]:
fold_pair fold TMscore_fold1 TMscore_fold2 cluster_num TM_mean_cluster_pdb1 TM_mean_cluster_pdb2 sample_count is_fold_1 is_fold_2 cluster_fold_1 cluster_fold_2
87 1dzlA_5keqF ShallowMsa_008_6.pdb 0.30694 0.29606 008 0.243319 0.244856 10 0 1 0 1
71 1dzlA_5keqF ShallowMsa_007_5.pdb 0.27663 0.28514 007 0.225681 0.234574 10 0 1 0 1
165 1dzlA_5keqF ShallowMsa_016_7.pdb 0.27460 0.27559 016 0.240181 0.241685 10 0 1 0 1
190 1dzlA_5keqF ShallowMsa_019_0.pdb 0.23867 0.27477 019 0.241114 0.246031 10 0 1 0 1
83 1dzlA_5keqF ShallowMsa_008_0.pdb 0.27282 0.26778 008 0.243319 0.244856 10 0 1 0 1
... ... ... ... ... ... ... ... ... ... ... ... ...
74 1dzlA_5keqF ShallowMsa_007_2.pdb 0.19625 0.20959 007 0.225681 0.234574 10 0 1 0 1
203 1dzlA_5keqF ShallowMsa_020_6.pdb 0.21618 0.20830 020 0.234509 0.235098 10 0 1 0 1
166 1dzlA_5keqF ShallowMsa_016_3.pdb 0.22727 0.20752 016 0.240181 0.241685 10 0 1 0 1
162 1dzlA_5keqF ShallowMsa_016_5.pdb 0.21579 0.20555 016 0.240181 0.241685 10 0 1 0 1
82 1dzlA_5keqF ShallowMsa_008_1.pdb 0.21643 0.19731 008 0.243319 0.244856 10 0 1 0 1

100 rows × 12 columns

Contact maps Msa Transformers¶

Out[15]:
array(['1qb3A_3qy2A', '3l5nB_2a73B', '5l35G_5l35D', '4ydqB_4twaA',
       '2mwfA_2nntA', '1qlnA_1h38D', '1xezA_3o44A', '1zk9A_3jv6A',
       '1xjuB_1xjtA', '3meeA_4b3oB', '3r9jC_2kxoA', '5f5rB_5f3kA',
       '1nqjB_1nqdA', '4yhdG_7ahlE', '1mnmD_1mnmC', '2bzyB_2lqwA',
       '3lowA_3m1bF', '1iytA_2naoF', '2kb8A_6vw2A', '5et5A_3ifaA',
       '1nocA_1qomB', '4o01D_4o0pA', '3v0tA_3uyiA', '4q79F_4uv2D',
       '2uy7D_5fluE', '5c1vB_5c1vA', '2k42A_1ceeB', '2lelA_2k0qA',
       '1miqB_1qs8B', '3t5oA_4a5wB', '6c6sD_2ougC', '3lqcA_1xntA',
       '3mkoA_5ineA', '5jytA_2qkeE', '4dxrA_4dxtA', '2kkwA_2n0aD',
       '5c3iF_3kuyA', '5tpnA_1g2cF', '3j7vG_3j7wB', '1svfC_4wsgC',
       '5jztG_5jzhA', '5bmyA_5b3zA', '2z9oB_1repC', '2n54B_2hdmA',
       '3g0hA_3ewsB', '1rk4B_1k0nA', '1kctA_3t1pA', '2c1vB_2c1uC',
       '2lv1A_6lniA', '4pyjA_4pyiA', '2qqjA_4qdsA', '1xtgB_3j97M',
       '4n9wA_4nc9C', '2lepA_4hddA', '5lj3M_3tp2A', '5i2sA_5i2mA',
       '5ly6B_5aoeB', '4tsyD_3zwgN', '3m7pA_3ejhA', '1eboE_5fhcJ',
       '2jmrA_4j3oF', '2namA_1uxmK', '4qhhA_4qhfA', '1dzlA_5keqF',
       '4rmbB_4rmbA', '2pbkB_3njqA', '4xwsD_4y0mJ', '2h44A_1rkpA',
       '5wrgC_1wyyB', '1jfkA_2nxqB', '3kdsG_2ce7C', '3hdfA_3hdeA',
       '3ztjE_5hmgA', '1x0gD_1x0gA', '3l9qB_4rr2D', '1nrjB_2gedB',
       '4rwqB_4rwnA', '2p3vD_2p3vA', '4h2aA_3j9cA', '5hk5H_4jphB',
       '4zrbH_4zrbC', '2vfxL_3gmhL', '4gqcB_4gqcC'], dtype=object)
No description has been provided for this image
No description has been provided for this image