_struct.pdbx_model_details 'Dimer model generated for TIMM8B and TIMM13, produced using AlphaFold-Multimer (AlphaFold v2.2.0) as implemented by ColabFold (v1.2.0) which uses MMseqs2 for MSA generation (UniRef30 + Environmental).'
'Model generated using ColabFold v1.2.0 with AlphaFold-Multimer (v2) producing 5 models with 3 recycles each, without model relaxation, without templates, ranked by ipTM*0.8+pTM*0.2, starting from paired and unpaired MSAs from MMseqs2 (UniRef+Environmental).'
1 1 2
2 1 2 'model selection' .
'Select best model, which is either the top-ranked model as determined by the ColabFold pipeline (ipTM*0.8+pTM*0.2), or else the model with best congruence with crosslinks reported in the related study.'
. 2 2
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loop_
_ma_model_list.ordinal_id
_ma_model_list.model_id
_ma_model_list.model_group_id
_ma_model_list.model_name
_ma_model_list.model_group_name
_ma_model_list.data_id
_ma_model_list.model_type
_ma_model_list.model_type_other_details
1 1 1 'Model 5 (top ranked model)'
'Crosslinked Heterodimer AlphaFold-Multimer v2 Models' 3 'Ab initio model' .
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loop_
_atom_site.group_PDB
_atom_site.id
_atom_site.type_symbol
_atom_site.label_atom_id
_atom_site.label_alt_id
_atom_site.label_comp_id
_atom_site.label_seq_id
_atom_site.auth_seq_id
_atom_site.pdbx_PDB_ins_code
_atom_site.label_asym_id
_atom_site.Cartn_x
_atom_site.Cartn_y
_atom_site.Cartn_z
_atom_site.occupancy
_atom_site.auth_asym_id
_atom_site.B_iso_or_equiv
_atom_site.pdbx_PDB_model_num
ATOM 1 N N . MET 1 1 ? A 8.317 39.011 19.688 1.000 A 42.340 1
ATOM 2 C CA . MET 1 1 ? A 8.849 37.725 19.245 1.000 A 42.340 1
ATOM 3 C C . MET 1 1 ? A 7.739 36.684 19.142 1.000 A 42.340 1
ATOM 4 O O . MET 1 1 ? A 7.973 35.565 18.682 1.000 A 42.340 1
ATOM 5 C CB . MET 1 1 ? A 9.938 37.236 20.200 1.000 A 42.340 1
ATOM 6 C CG . MET 1 1 ? A 11.341 37.665 19.802 1.000 A 42.340 1
ATOM 7 S SD . MET 1 1 ? A 12.633 36.531 20.445 1.000 A 42.340 1
ATOM 8 C CE . MET 1 1 ? A 13.720 37.723 21.276 1.000 A 42.340 1
ATOM 9 N N . ALA 2 2 ? A 6.663 36.923 19.908 1.000 A 50.210 1
ATOM 10 C CA . ALA 2 2 ? A 5.472 36.082 19.989 1.000 A 50.210 1
ATOM 11 C C . ALA 2 2 ? A 4.632 36.197 18.719 1.000 A 50.210 1
ATOM 12 O O . ALA 2 2 ? A 3.979 35.234 18.311 1.000 A 50.210 1
ATOM 13 C CB . ALA 2 2 ? A 4.637 36.457 21.211 1.000 A 50.210 1
ATOM 14 N N . GLU 3 3 ? A 4.548 37.401 18.095 1.000 A 53.120 1
ATOM 15 C CA . GLU 3 3 ? A 3.660 37.590 16.952 1.000 A 53.120 1
ATOM 16 C C . GLU 3 3 ? A 4.168 36.832 15.728 1.000 A 53.120 1
ATOM 17 O O . GLU 3 3 ? A 3.379 36.423 14.874 1.000 A 53.120 1
ATOM 18 C CB . GLU 3 3 ? A 3.513 39.078 16.625 1.000 A 53.120 1
ATOM 19 C CG . GLU 3 3 ? A 2.318 39.739 17.296 1.000 A 53.120 1
ATOM 20 C CD . GLU 3 3 ? A 2.060 41.155 16.803 1.000 A 53.120 1
ATOM 21 O OE1 . GLU 3 3 ? A 1.079 41.369 16.056 1.000 A 53.120 1
ATOM 22 O OE2 . GLU 3 3 ? A 2.848 42.057 17.167 1.000 A 53.120 1
ATOM 652 N N . MET 1 1 ? B 50.040 32.393 35.390 1.000 B 28.570 1
ATOM 653 C CA . MET 1 1 ? B 49.521 31.790 36.614 1.000 B 28.570 1
ATOM 654 C C . MET 1 1 ? B 48.376 32.619 37.186 1.000 B 28.570 1
ATOM 655 O O . MET 1 1 ? B 47.433 32.071 37.759 1.000 B 28.570 1
ATOM 656 C CB . MET 1 1 ? B 50.632 31.645 37.655 1.000 B 28.570 1
ATOM 657 C CG . MET 1 1 ? B 50.733 30.251 38.253 1.000 B 28.570 1
ATOM 658 S SD . MET 1 1 ? B 52.198 30.058 39.341 1.000 B 28.570 1
ATOM 659 C CE . MET 1 1 ? B 51.684 28.617 40.317 1.000 B 28.570 1
ATOM 660 N N . GLU 2 2 ? B 48.540 33.870 37.053 1.000 B 35.420 1
ATOM 661 C CA . GLU 2 2 ? B 47.501 34.894 37.106 1.000 B 35.420 1
ATOM 662 C C . GLU 2 2 ? B 46.554 34.783 35.915 1.000 B 35.420 1
ATOM 663 O O . GLU 2 2 ? B 45.932 35.769 35.515 1.000 B 35.420 1
ATOM 664 C CB . GLU 2 2 ? B 48.124 36.291 37.154 1.000 B 35.420 1
ATOM 665 C CG . GLU 2 2 ? B 47.783 37.074 38.414 1.000 B 35.420 1
ATOM 666 C CD . GLU 2 2 ? B 48.552 38.380 38.535 1.000 B 35.420 1
ATOM 667 O OE1 . GLU 2 2 ? B 47.992 39.448 38.199 1.000 B 35.420 1
ATOM 668 O OE2 . GLU 2 2 ? B 49.725 38.335 38.969 1.000 B 35.420 1
ATOM 669 N N . GLY 3 3 ? B 46.387 33.521 35.322 1.000 B 37.540 1
ATOM 670 C CA . GLY 3 3 ? B 45.732 33.310 34.041 1.000 B 37.540 1
ATOM 671 C C . GLY 3 3 ? B 44.283 33.761 34.030 1.000 B 37.540 1
ATOM 672 O O . GLY 3 3 ? B 43.519 33.433 34.939 1.000 B 37.540 1