@> 1069 atoms and 20 coordinate set(s) were parsed in 0.22s.

@> 1185 atoms and 20 coordinate set(s) were parsed in 0.24s.

Visualizations and results

Original Structure Visualization

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@> 1069 atoms and 20 coordinate set(s) were parsed in 0.22s.

@> 1185 atoms and 20 coordinate set(s) were parsed in 0.24s.

plot fail !

AlphaFold predictions

Best AF prediction to fold 1

@> 520 atoms and 1 coordinate set(s) were parsed in 0.02s.

@> 1069 atoms and 20 coordinate set(s) were parsed in 0.23s.

Blue:ShallowMsa_039_unrelaxed_rank_005_alphafold2_ptm_model_2_seed_000
Red:2n54B

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Best AF prediction to fold 2

@> 520 atoms and 1 coordinate set(s) were parsed in 0.02s.

@> 1185 atoms and 20 coordinate set(s) were parsed in 0.25s.

@> 520 atoms and 1 coordinate set(s) were parsed in 0.02s.

@> 1185 atoms and 20 coordinate set(s) were parsed in 0.24s.

2hdmA_TEMP

Blue:ShallowMsa_023_unrelaxed_rank_001_alphafold2_ptm_model_1_seed_000
Red:2hdmA

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EsmFold Prediction

	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

single positional indexer is out-of-bounds
name 'max_esm_pdb1' is not defined

Best EsmFold prediction to fold 2

@> 1185 atoms and 20 coordinate set(s) were parsed in 0.24s.

@> 529 atoms and 1 coordinate set(s) were parsed in 0.02s.

reference and target coordinate arrays must have same number of atoms
0.71495

@> 1185 atoms and 20 coordinate set(s) were parsed in 0.24s.

@> 529 atoms and 1 coordinate set(s) were parsed in 0.02s.

ShallowMsa_042_7_TEMP

Blue:2hdmA
Red:ShallowMsa_042_7

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	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
8606	2n54B_2hdmA	ShallowMsa_042_7.pdb	0.31682	0.71495	042	0.325012	0.673573	10	0	1	0	1
8398	2n54B_2hdmA	ShallowMsa_021_1.pdb	0.32517	0.71410	021	0.327278	0.695387	10	0	1	0	1
8344	2n54B_2hdmA	ShallowMsa_016_9.pdb	0.33417	0.71388	016	0.327378	0.691466	10	0	1	0	1
8347	2n54B_2hdmA	ShallowMsa_016_4.pdb	0.33489	0.71285	016	0.327378	0.691466	10	0	1	0	1
8195	2n54B_2hdmA	ShallowMsa_001_3.pdb	0.32452	0.71164	001	0.322092	0.690840	10	0	1	0	1
...	...	...	...	...	...	...	...	...	...	...	...	...
8415	2n54B_2hdmA	ShallowMsa_023_4.pdb	0.32812	0.54567	023	0.334405	0.592497	10	0	1	0	1
8698	2n54B_2hdmA	ShallowMsa_051_4.pdb	0.26996	0.54443	051	0.319474	0.660945	10	0	1	0	1
8259	2n54B_2hdmA	ShallowMsa_007_3.pdb	0.32701	0.54432	007	0.330555	0.595216	10	0	1	0	1
8215	2n54B_2hdmA	ShallowMsa_003_1.pdb	0.32434	0.53126	003	0.324772	0.611211	10	0	1	0	1
8433	2n54B_2hdmA	ShallowMsa_024_8.pdb	0.32059	0.52081	024	0.317607	0.606019	10	0	1	0	1

540 rows × 12 columns

Contact maps Msa Transformers