@> 3007 atoms and 1 coordinate set(s) were parsed in 0.12s.

@> 2687 atoms and 1 coordinate set(s) were parsed in 0.10s.

Visualizations and results

Original Structure Visualization

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@> 3007 atoms and 1 coordinate set(s) were parsed in 0.11s.

@> 2687 atoms and 1 coordinate set(s) were parsed in 0.10s.

plot fail !

AlphaFold predictions

Best AF prediction to fold 1

@> 3012 atoms and 1 coordinate set(s) were parsed in 0.18s.

@> 3007 atoms and 1 coordinate set(s) were parsed in 0.15s.

Blue:ShallowMsa_003_unrelaxed_rank_001_alphafold2_ptm_model_4_seed_000
Red:1miqB

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Best AF prediction to fold 2

@> 3012 atoms and 1 coordinate set(s) were parsed in 0.11s.

@> 2687 atoms and 1 coordinate set(s) were parsed in 0.09s.

@> 3012 atoms and 1 coordinate set(s) were parsed in 0.22s.

@> 2687 atoms and 1 coordinate set(s) were parsed in 0.11s.

No max_af_pdb2

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

@> 2687 atoms and 1 coordinate set(s) were parsed in 0.10s.

@> 3020 atoms and 1 coordinate set(s) were parsed in 0.11s.

@> 2687 atoms and 1 coordinate set(s) were parsed in 0.10s.

reference and target coordinate arrays must have same number of atoms
0.97412

@> 3020 atoms and 1 coordinate set(s) were parsed in 0.11s.

reference and target coordinate arrays must have same number of atoms

	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
1303	1miqB_1qs8B	ShallowMsa_000_0.pdb	0.88169	0.97412	000	0.873815	0.960817	10	0	1	0	1
1489	1miqB_1qs8B	ShallowMsa_018_7.pdb	0.89457	0.96910	018	0.741732	0.894821	10	0	1	0	1
1672	1miqB_1qs8B	ShallowMsa_037_9.pdb	0.89457	0.96910	037	0.755772	0.907252	10	0	1	0	1
1367	1miqB_1qs8B	ShallowMsa_006_0.pdb	0.89457	0.96910	006	0.734956	0.888549	10	0	1	0	1
1808	1miqB_1qs8B	ShallowMsa_050_2.pdb	0.89457	0.96910	050	0.754555	0.903276	10	0	1	0	1
...	...	...	...	...	...	...	...	...	...	...	...	...
1793	1miqB_1qs8B	ShallowMsa_049_8.pdb	0.68030	0.78449	049	0.728620	0.889646	10	0	1	0	1
1744	1miqB_1qs8B	ShallowMsa_044_1.pdb	0.62588	0.73879	044	0.749965	0.893596	10	0	1	0	1
1755	1miqB_1qs8B	ShallowMsa_045_3.pdb	0.62969	0.73304	045	0.736162	0.874346	10	0	1	0	1
1448	1miqB_1qs8B	ShallowMsa_014_1.pdb	0.57550	0.70378	014	0.690537	0.842039	10	0	1	0	1
1446	1miqB_1qs8B	ShallowMsa_014_4.pdb	0.57216	0.70065	014	0.690537	0.842039	10	0	1	0	1

640 rows × 12 columns

Contact maps Msa Transformers