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Rename universal_v2 -> main_benchmark (scripts, bench/ dir, env vars SF_MAIN_BENCH_*, README)
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cases:
- case_id: SFB_FS_A1AT_1QLPA_1OPHA
pattern: fold_switch_metamorphic
query_uniprot: P01009
query_pdb: 1QLP
query_chain: A
query_resi_range: 23..394
query_length: 372
state_a_pdb: 1QLP
state_a_chain: A
state_b_pdb: 1OPH
state_b_chain: A
target_state: B
expected_pattern_signature: Alpha-1 antitrypsin native serpin <-> cleaved/latent
metastable conformation
literature_ref: Elliott 1996 Nat Struct Biol
source: https://doi.org/10.1038/nsb1196-910
notes: ''
qc:
n_common_residues: 372
n_common_core_lt3A: 359
n_switch_region_ge3A: 13
core_fraction: 0.965
- case_id: SFB_FS_CLIC1_1K0MA_1K0NA
pattern: fold_switch_metamorphic
query_uniprot: O00299
query_pdb: 1K0M
query_chain: A
query_resi_range: 6..240
query_length: 235
state_a_pdb: 1K0M
state_a_chain: A
state_b_pdb: 1K0N
state_b_chain: A
target_state: B
expected_pattern_signature: CLIC1 soluble GST-fold <-> membrane chloride-channel
conformation
literature_ref: Littler 2004 J Biol Chem
source: https://doi.org/10.1074/jbc.M308444200
notes: ''
qc:
n_common_residues: 225
n_common_core_lt3A: 220
n_switch_region_ge3A: 5
core_fraction: 0.978
- case_id: SFB_FS_DLC8_2PG1A_1F3CA
pattern: fold_switch_metamorphic
query_uniprot: P63167
query_pdb: 2PG1
query_chain: A
query_resi_range: 5..89
query_length: 85
state_a_pdb: 2PG1
state_a_chain: A
state_b_pdb: 1F3C
state_b_chain: A
target_state: B
expected_pattern_signature: DLC8/LC8 dynein light chain dimerization-coupled fold
switch
literature_ref: Fan 2001 JMB
source: https://doi.org/10.1006/jmbi.2001.4953
notes: ''
qc:
n_common_residues: 85
n_common_core_lt3A: 83
n_switch_region_ge3A: 2
core_fraction: 0.976
- case_id: SFB_FS_GA98GB98_2LHCA_2LHDA
pattern: fold_switch_metamorphic
query_uniprot: ''
query_pdb: 2LHC
query_chain: A
query_resi_range: 1..56
query_length: 56
state_a_pdb: 2LHC
state_a_chain: A
state_b_pdb: 2LHD
state_b_chain: A
target_state: B
expected_pattern_signature: 'GA98/GB98 engineered fold-switch: 3-alpha (GA) <->
4-beta+alpha (GB)'
literature_ref: Alexander 2009 PNAS
source: https://doi.org/10.1073/pnas.0905068106
notes: ''
qc:
n_common_residues: 56
n_common_core_lt3A: 10
n_switch_region_ge3A: 46
core_fraction: 0.179
- case_id: SFB_FS_IscU_1WFZA_2KQKA
pattern: fold_switch_metamorphic
query_uniprot: P0ACD4
query_pdb: 1WFZ
query_chain: A
query_resi_range: 1..130
query_length: 130
state_a_pdb: 1WFZ
state_a_chain: A
state_b_pdb: 2KQK
state_b_chain: A
target_state: B
expected_pattern_signature: IscU disordered (D) <-> structured (S) Fe-S cluster
scaffold
literature_ref: Kim 2012 PNAS
source: https://doi.org/10.1073/pnas.1212358109
notes: ''
qc:
n_common_residues: 128
n_common_core_lt3A: 30
n_switch_region_ge3A: 98
core_fraction: 0.234
- case_id: SFB_FS_KAIA_1R8JA_1R8QA
pattern: fold_switch_metamorphic
query_uniprot: Q79V62
query_pdb: 1R8J
query_chain: A
query_resi_range: 1..282
query_length: 272
state_a_pdb: 1R8J
state_a_chain: A
state_b_pdb: 1R8Q
state_b_chain: A
target_state: B
expected_pattern_signature: KaiA C-terminal domain conformational reshuffling
literature_ref: Ye 2004 PNAS
source: https://doi.org/10.1073/pnas.0405842101
notes: ''
qc:
n_common_residues: 169
n_common_core_lt3A: 3
n_switch_region_ge3A: 166
core_fraction: 0.018
- case_id: SFB_FS_KAIB_2QKEB_5JYTA
pattern: fold_switch_metamorphic
query_uniprot: Q79V61
query_pdb: 2QKE
query_chain: B
query_resi_range: 5..95
query_length: 91
state_a_pdb: 2QKE
state_a_chain: B
state_b_pdb: 5JYT
state_b_chain: A
target_state: B
expected_pattern_signature: Thioredoxin-fold <-> KaiB-fold metamorphic switch (circadian
clock B-subunit)
literature_ref: Chang 2015 Science; Murzin 2008 Science
source: https://doi.org/10.1126/science.aaa1374
notes: Reference metamorphic case from AF-Cluster paper
qc:
n_common_residues: 91
n_common_core_lt3A: 44
n_switch_region_ge3A: 47
core_fraction: 0.484
- case_id: SFB_FS_MAD2_1DUJA_1GO4A
pattern: fold_switch_metamorphic
query_uniprot: Q13257
query_pdb: 1DUJ
query_chain: A
query_resi_range: 11..197
query_length: 187
state_a_pdb: 1DUJ
state_a_chain: A
state_b_pdb: 1GO4
state_b_chain: A
target_state: B
expected_pattern_signature: MAD2 O-MAD2 (open) <-> C-MAD2 (closed) spindle-checkpoint
metamorphic
literature_ref: Luo 2004 Nat Struct Mol Biol
source: https://doi.org/10.1038/nsmb748
notes: ''
qc:
n_common_residues: 187
n_common_core_lt3A: 9
n_switch_region_ge3A: 178
core_fraction: 0.048
- case_id: SFB_FS_MPT53_1LU4A_3EMXA
pattern: fold_switch_metamorphic
query_uniprot: P9WG70
query_pdb: 1LU4
query_chain: A
query_resi_range: 1001..1134
query_length: 134
state_a_pdb: 1LU4
state_a_chain: A
state_b_pdb: 3EMX
state_b_chain: A
target_state: B
expected_pattern_signature: 'Mpt53 secreted disulfide-isomerase: alternate fold
candidate (DALI hit 3EMX, Aeropyrum pernix thioredoxin)'
literature_ref: Goulding 2004 J Mol Biol
source: https://doi.org/10.1016/j.jmb.2004.05.060
notes: Pair-aligned by positional CA index because 1LU4 (1001..1134) and 3EMX (224..347)
share no residue numbers. 3EMX is a DALI hit only; biological metamorphism not
proven.
qc:
n_common_residues: 124
n_common_core_lt3A: 1
n_switch_region_ge3A: 123
core_fraction: 0.008
- case_id: SFB_FS_NTRC2_1NY3A_3DZEA
pattern: fold_switch_metamorphic
query_uniprot: P0AFB8
query_pdb: 1NY3
query_chain: A
query_resi_range: 46..345
query_length: 277
state_a_pdb: 1NY3
state_a_chain: A
state_b_pdb: 3DZE
state_b_chain: A
target_state: B
expected_pattern_signature: NtrC receiver domain inactive <-> active fold-switch-like
rearrangement
literature_ref: Hastings 2008 PNAS
source: https://doi.org/10.1073/pnas.0709728105
notes: ''
qc:
n_common_residues: 124
n_common_core_lt3A: 1
n_switch_region_ge3A: 123
core_fraction: 0.008
- case_id: SFB_FS_NUSG_2K06A_2LQ8A
pattern: fold_switch_metamorphic
query_uniprot: P0AFG0
query_pdb: 2K06
query_chain: A
query_resi_range: 1..123
query_length: 123
state_a_pdb: 2K06
state_a_chain: A
state_b_pdb: 2LQ8
state_b_chain: A
target_state: B
expected_pattern_signature: 'NusG-SP CTD: KOW-fold <-> alpha-hairpin metamorphic'
literature_ref: Burmann 2010 Science
source: https://doi.org/10.1126/science.1184953
notes: ''
qc:
n_common_residues: 123
n_common_core_lt3A: 2
n_switch_region_ge3A: 121
core_fraction: 0.016
- case_id: SFB_FS_P13_2I4ZA_4M1EA
pattern: fold_switch_metamorphic
query_uniprot: Q98DV5
query_pdb: 2I4Z
query_chain: A
query_resi_range: 207..476
query_length: 270
state_a_pdb: 2I4Z
state_a_chain: A
state_b_pdb: 4M1E
state_b_chain: A
target_state: B
expected_pattern_signature: p13 metamorphic protein (intracellular signaling)
literature_ref: Roessler 2015 JMB
source: https://doi.org/10.1016/j.jmb.2014.10.010
notes: ''
qc:
n_common_residues: 67
n_common_core_lt3A: 3
n_switch_region_ge3A: 64
core_fraction: 0.045
- case_id: SFB_FS_RFAH_5ONDA_6C6SD
pattern: fold_switch_metamorphic
query_uniprot: P0AFW0
query_pdb: 5OND
query_chain: A
query_resi_range: 1..155
query_length: 135
state_a_pdb: 5OND
state_a_chain: A
state_b_pdb: 6C6S
state_b_chain: D
target_state: B
expected_pattern_signature: 'RfaH CTD: alpha-helical hairpin <-> beta-barrel (transcription/translation
coupling)'
literature_ref: Burmann 2012 Cell; Zuber 2018 Nat Commun
source: https://doi.org/10.1038/s41467-019-10918-2
notes: ''
qc:
n_common_residues: 134
n_common_core_lt3A: 79
n_switch_region_ge3A: 55
core_fraction: 0.59
- case_id: SFB_FS_SELECASE_4QHFA_4QHGA
pattern: fold_switch_metamorphic
query_uniprot: I3VWL5
query_pdb: 4QHF
query_chain: A
query_resi_range: 1..109
query_length: 109
state_a_pdb: 4QHF
state_a_chain: A
state_b_pdb: 4QHG
state_b_chain: A
target_state: B
expected_pattern_signature: Selecase oligomer monomer fold switch (zinc metallopeptidase)
literature_ref: Lopez-Pelegrin 2014 Cell Rep
source: https://doi.org/10.1016/j.celrep.2014.06.012
notes: ''
qc:
n_common_residues: 107
n_common_core_lt3A: 99
n_switch_region_ge3A: 8
core_fraction: 0.925
- case_id: SFB_FS_XCL1_1J8IA_2JP1A
pattern: fold_switch_metamorphic
query_uniprot: P47992
query_pdb: 1J8I
query_chain: A
query_resi_range: 1..93
query_length: 93
state_a_pdb: 1J8I
state_a_chain: A
state_b_pdb: 2JP1
state_b_chain: A
target_state: B
expected_pattern_signature: 'Lymphotactin: chemokine-fold <-> all-beta dimer fold
metamorphic switch'
literature_ref: Tuinstra 2008 PNAS
source: https://doi.org/10.1073/pnas.0711389105
notes: ''
qc:
n_common_residues: 60
n_common_core_lt3A: 20
n_switch_region_ge3A: 40
core_fraction: 0.333
- case_id: SFB_AL_AKE_4AKEA_1AKEA
pattern: allosteric_ligand_induced
query_uniprot: P69441
query_pdb: 4AKE
query_chain: A
query_resi_range: 1..214
query_length: 214
state_a_pdb: 4AKE
state_a_chain: A
state_b_pdb: 1AKE
state_b_chain: A
target_state: B
expected_pattern_signature: Adenylate kinase open (apo) <-> closed (Ap5A-bound)
lid-rearrangement
literature_ref: Muller 1992 JMB; Henzler-Wildman 2007 Nature
source: https://doi.org/10.1038/nature06407
notes: ''
qc:
n_common_residues: 214
n_common_core_lt3A: 126
n_switch_region_ge3A: 88
core_fraction: 0.589
- case_id: SFB_AL_CALM_1CFDA_1CLLA
pattern: allosteric_ligand_induced
query_uniprot: P0DP23
query_pdb: 1CFD
query_chain: A
query_resi_range: 1..148
query_length: 148
state_a_pdb: 1CFD
state_a_chain: A
state_b_pdb: 1CLL
state_b_chain: A
target_state: B
expected_pattern_signature: Calmodulin apo (collapsed) <-> Ca2+-bound (extended)
conformational switch
literature_ref: Kuboniwa 1995 Nat Struct Biol
source: https://doi.org/10.1038/nsb0995-768
notes: ''
qc:
n_common_residues: 144
n_common_core_lt3A: 21
n_switch_region_ge3A: 123
core_fraction: 0.146
- case_id: SFB_AL_CDK6_1BI7A_2EUFB
pattern: allosteric_ligand_induced
query_uniprot: Q00534
query_pdb: 1BI7
query_chain: A
query_resi_range: 10..301
query_length: 269
state_a_pdb: 1BI7
state_a_chain: A
state_b_pdb: 2EUF
state_b_chain: B
target_state: B
expected_pattern_signature: CDK6 kinase inactive (p16-bound) <-> active (V-cyclin)
literature_ref: Russo 1998 Nat Struct Biol
source: https://doi.org/10.1038/sb0498-262
notes: ''
qc:
n_common_residues: 255
n_common_core_lt3A: 180
n_switch_region_ge3A: 75
core_fraction: 0.706
- case_id: SFB_AL_CHEY_3CHYA_1FQWA
pattern: allosteric_ligand_induced
query_uniprot: P0AE67
query_pdb: 3CHY
query_chain: A
query_resi_range: 2..129
query_length: 128
state_a_pdb: 3CHY
state_a_chain: A
state_b_pdb: 1FQW
state_b_chain: A
target_state: B
expected_pattern_signature: CheY response regulator inactive <-> active (Mg-BeF3
phosphorylated)
literature_ref: Lee 2001 Nat Struct Biol
source: https://doi.org/10.1038/85661
notes: ''
qc:
n_common_residues: 128
n_common_core_lt3A: 127
n_switch_region_ge3A: 1
core_fraction: 0.992
- case_id: SFB_AL_DHFR_1RX1A_1RX4A
pattern: allosteric_ligand_induced
query_uniprot: P0ABQ4
query_pdb: 1RX1
query_chain: A
query_resi_range: 1..159
query_length: 159
state_a_pdb: 1RX1
state_a_chain: A
state_b_pdb: 1RX4
state_b_chain: A
target_state: B
expected_pattern_signature: DHFR Met20 loop closed <-> occluded (folate/NADP intermediate)
literature_ref: Sawaya 1997 Biochemistry
source: https://doi.org/10.1021/bi962337c
notes: ''
qc:
n_common_residues: 159
n_common_core_lt3A: 156
n_switch_region_ge3A: 3
core_fraction: 0.981
- case_id: SFB_AL_EGFR_2GS2A_1XKKA
pattern: allosteric_ligand_induced
query_uniprot: P00533
query_pdb: 2GS2
query_chain: A
query_resi_range: 672..994
query_length: 305
state_a_pdb: 2GS2
state_a_chain: A
state_b_pdb: 1XKK
state_b_chain: A
target_state: B
expected_pattern_signature: EGFR kinase inactive (lapatinib) <-> active asymmetric
dimer
literature_ref: Wood 2004 Cancer Res
source: https://doi.org/10.1158/0008-5472.CAN-04-1168
notes: ''
qc:
n_common_residues: 252
n_common_core_lt3A: 2
n_switch_region_ge3A: 250
core_fraction: 0.008
- case_id: SFB_AL_GLNBP_1GGGA_1WDNA
pattern: allosteric_ligand_induced
query_uniprot: P0AEQ3
query_pdb: 1GGG
query_chain: A
query_resi_range: 5..224
query_length: 220
state_a_pdb: 1GGG
state_a_chain: A
state_b_pdb: 1WDN
state_b_chain: A
target_state: B
expected_pattern_signature: Glutamine-binding protein open (apo) <-> closed (Gln-bound)
literature_ref: Hsiao 1996 JMB
source: https://doi.org/10.1006/jmbi.1996.0438
notes: ''
qc:
n_common_residues: 220
n_common_core_lt3A: 131
n_switch_region_ge3A: 89
core_fraction: 0.595
- case_id: SFB_AL_LIVBP_2LIVA_1Z15A
pattern: allosteric_ligand_induced
query_uniprot: P0AD96
query_pdb: 2LIV
query_chain: A
query_resi_range: 1..344
query_length: 344
state_a_pdb: 2LIV
state_a_chain: A
state_b_pdb: 1Z15
state_b_chain: A
target_state: B
expected_pattern_signature: Leucine/Ile/Val-BP open (apo) <-> closed (Leu-bound)
hinge motion
literature_ref: Sack 1989 JMB
source: https://doi.org/10.1016/0022-2836(89)90342-6
notes: ''
qc:
n_common_residues: 344
n_common_core_lt3A: 341
n_switch_region_ge3A: 3
core_fraction: 0.991
- case_id: SFB_AL_MBP_1OMPA_1ANFA
pattern: allosteric_ligand_induced
query_uniprot: P0AEX9
query_pdb: 1OMP
query_chain: A
query_resi_range: 1..370
query_length: 370
state_a_pdb: 1OMP
state_a_chain: A
state_b_pdb: 1ANF
state_b_chain: A
target_state: B
expected_pattern_signature: Maltose-binding protein open (apo) <-> closed (maltose-bound)
literature_ref: Sharff 1992 Biochemistry
source: https://doi.org/10.1021/bi00163a008
notes: ''
qc:
n_common_residues: 370
n_common_core_lt3A: 223
n_switch_region_ge3A: 147
core_fraction: 0.603
- case_id: SFB_AL_MEK1_3EQIA_3MBLA
pattern: allosteric_ligand_induced
query_uniprot: Q02750
query_pdb: 3EQI
query_chain: A
query_resi_range: 39..382
query_length: 315
state_a_pdb: 3EQI
state_a_chain: A
state_b_pdb: 3MBL
state_b_chain: A
target_state: B
expected_pattern_signature: MEK1 inactive (apo) <-> active (ATP/Mg-bound) DFG flip
literature_ref: Fischmann 2009 Biochemistry
source: https://doi.org/10.1021/bi900132f
notes: ''
qc:
n_common_residues: 290
n_common_core_lt3A: 281
n_switch_region_ge3A: 9
core_fraction: 0.969
- case_id: SFB_AL_PHOB_1B00A_1ZESA
pattern: allosteric_ligand_induced
query_uniprot: P0AFJ5
query_pdb: 1B00
query_chain: A
query_resi_range: 2..123
query_length: 122
state_a_pdb: 1B00
state_a_chain: A
state_b_pdb: 1ZES
state_b_chain: A
target_state: B
expected_pattern_signature: PhoB response-regulator inactive <-> active (BeF3)
literature_ref: Bachhawat 2005 Structure
source: https://doi.org/10.1016/j.str.2005.04.016
notes: ''
qc:
n_common_residues: 121
n_common_core_lt3A: 108
n_switch_region_ge3A: 13
core_fraction: 0.893
- case_id: SFB_AL_PKA_1ATPE_2CPKE
pattern: allosteric_ligand_induced
query_uniprot: P00517
query_pdb: 1ATP
query_chain: E
query_resi_range: 15..350
query_length: 334
state_a_pdb: 1ATP
state_a_chain: E
state_b_pdb: 2CPK
state_b_chain: E
target_state: B
expected_pattern_signature: PKA catalytic subunit closed (Mg-ATP-PKI) <-> open (apo)
literature_ref: Knighton 1991 Science
source: https://doi.org/10.1126/science.1862342
notes: ''
qc:
n_common_residues: 333
n_common_core_lt3A: 333
n_switch_region_ge3A: 0
core_fraction: 1.0
- case_id: SFB_AL_RAS_4Q21A_5P21A
pattern: allosteric_ligand_induced
query_uniprot: P01112
query_pdb: 4Q21
query_chain: A
query_resi_range: 1..169
query_length: 169
state_a_pdb: 4Q21
state_a_chain: A
state_b_pdb: 5P21
state_b_chain: A
target_state: B
expected_pattern_signature: H-Ras GDP-bound (inactive) <-> GTP-analog (active) Switch
I/II
literature_ref: Milburn 1990 Science
source: https://doi.org/10.1126/science.2406906
notes: ''
qc:
n_common_residues: 166
n_common_core_lt3A: 156
n_switch_region_ge3A: 10
core_fraction: 0.94
- case_id: SFB_AL_RBP_1URPA_2DRIA
pattern: allosteric_ligand_induced
query_uniprot: P02925
query_pdb: 1URP
query_chain: A
query_resi_range: 1..271
query_length: 271
state_a_pdb: 1URP
state_a_chain: A
state_b_pdb: 2DRI
state_b_chain: A
target_state: B
expected_pattern_signature: Ribose-binding protein open <-> closed sugar-induced
lid closure
literature_ref: Bjorkman 1994 JMB
source: https://doi.org/10.1006/jmbi.1994.1633
notes: ''
qc:
n_common_residues: 271
n_common_core_lt3A: 154
n_switch_region_ge3A: 117
core_fraction: 0.568
- case_id: SFB_AL_SRC_2SRCA_1Y57A
pattern: allosteric_ligand_induced
query_uniprot: P12931
query_pdb: 2SRC
query_chain: A
query_resi_range: 84..533
query_length: 449
state_a_pdb: 2SRC
state_a_chain: A
state_b_pdb: 1Y57
state_b_chain: A
target_state: B
expected_pattern_signature: Src kinase autoinhibited (closed) <-> active (open)
C-helix
literature_ref: Cowan-Jacob 2005 Structure
source: https://doi.org/10.1016/j.str.2005.04.013
notes: ''
qc:
n_common_residues: 449
n_common_core_lt3A: 12
n_switch_region_ge3A: 437
core_fraction: 0.027
- case_id: SFB_ID_ASYN_1XQ8A_1XQ8A
pattern: idp_idr_disorder_to_order
query_uniprot: P37840
query_pdb: 1XQ8
query_chain: A
query_resi_range: 1..140
query_length: 140
state_a_pdb: 1XQ8
state_a_chain: A
state_b_pdb: 1XQ8
state_b_chain: A
target_state: A
expected_pattern_signature: Alpha-synuclein disordered <-> lipid-bound helical conformation
literature_ref: Ulmer 2005 JBC
source: https://doi.org/10.1074/jbc.M411805200
notes: ''
qc:
n_common_residues: 140
n_common_core_lt3A: 140
n_switch_region_ge3A: 0
core_fraction: 1.0
- case_id: SFB_ID_BAD_1G5JB_1G5JB
pattern: idp_idr_disorder_to_order
query_uniprot: Q92934
query_pdb: 1G5J
query_chain: B
query_resi_range: 301..325
query_length: 25
state_a_pdb: 1G5J
state_a_chain: B
state_b_pdb: 1G5J
state_b_chain: B
target_state: A
expected_pattern_signature: BAD BH3 IDR disorder-to-order on Bcl-xL binding
literature_ref: Petros 2000 PNAS
source: https://doi.org/10.1073/pnas.97.7.3012
notes: ''
qc:
n_common_residues: 25
n_common_core_lt3A: 25
n_switch_region_ge3A: 0
core_fraction: 1.0
- case_id: SFB_ID_BID_1DDBA_1DDBA
pattern: idp_idr_disorder_to_order
query_uniprot: P55957
query_pdb: 1DDB
query_chain: A
query_resi_range: 1..195
query_length: 195
state_a_pdb: 1DDB
state_a_chain: A
state_b_pdb: 1DDB
state_b_chain: A
target_state: A
expected_pattern_signature: Bid alpha-helical bundle; BH3 region disordered-to-ordered
upon Bcl-xL binding
literature_ref: Chou 1999 Cell
source: https://doi.org/10.1016/S0092-8674(00)80572-3
notes: ''
qc:
n_common_residues: 195
n_common_core_lt3A: 195
n_switch_region_ge3A: 0
core_fraction: 1.0
- case_id: SFB_ID_CJUN_1JNMB_1JNMB
pattern: idp_idr_disorder_to_order
query_uniprot: P05412
query_pdb: 1JNM
query_chain: B
query_resi_range: 254..310
query_length: 57
state_a_pdb: 1JNM
state_a_chain: B
state_b_pdb: 1JNM
state_b_chain: B
target_state: A
expected_pattern_signature: c-Jun bZIP disorder-to-order coiled coil upon DNA binding/dimerization
literature_ref: Glover 1995 Nature
source: https://doi.org/10.1038/373257a0
notes: ''
qc:
n_common_residues: 57
n_common_core_lt3A: 57
n_switch_region_ge3A: 0
core_fraction: 1.0
- case_id: SFB_ID_CREB_1KDXB_1KDXB
pattern: idp_idr_disorder_to_order
query_uniprot: P16220
query_pdb: 1KDX
query_chain: B
query_resi_range: 119..146
query_length: 27
state_a_pdb: 1KDX
state_a_chain: B
state_b_pdb: 1KDX
state_b_chain: B
target_state: A
expected_pattern_signature: CREB pKID alpha-helical disorder-to-order on KIX of
CBP
literature_ref: Radhakrishnan 1997 Cell
source: https://doi.org/10.1016/S0092-8674(00)80463-8
notes: ''
qc:
n_common_residues: 27
n_common_core_lt3A: 27
n_switch_region_ge3A: 0
core_fraction: 1.0
- case_id: SFB_ID_EIF4E_1WKWB_1WKWB
pattern: idp_idr_disorder_to_order
query_uniprot: Q13541
query_pdb: 1WKW
query_chain: B
query_resi_range: 47..66
query_length: 20
state_a_pdb: 1WKW
state_a_chain: B
state_b_pdb: 1WKW
state_b_chain: B
target_state: A
expected_pattern_signature: 4E-BP1 IDR ordered alpha-helix when bound eIF4E
literature_ref: Marcotrigiano 1999 Mol Cell
source: https://doi.org/10.1016/S1097-2765(00)80194-6
notes: ''
qc:
n_common_residues: 20
n_common_core_lt3A: 20
n_switch_region_ge3A: 0
core_fraction: 1.0
- case_id: SFB_ID_HIF1A_1L8CB_1L8CB
pattern: idp_idr_disorder_to_order
query_uniprot: Q16665
query_pdb: 1L8C
query_chain: B
query_resi_range: 99..149
query_length: 51
state_a_pdb: 1L8C
state_a_chain: B
state_b_pdb: 1L8C
state_b_chain: B
target_state: A
expected_pattern_signature: HIF-1alpha CTAD disorder-to-order helix on CBP TAZ1
binding
literature_ref: Dames 2002 PNAS
source: https://doi.org/10.1073/pnas.082121399
notes: ''
qc:
n_common_residues: 51
n_common_core_lt3A: 51
n_switch_region_ge3A: 0
core_fraction: 1.0
- case_id: SFB_ID_HISTH1_1GHCA_1GHCA
pattern: idp_idr_disorder_to_order
query_uniprot: P10412
query_pdb: 1GHC
query_chain: A
query_resi_range: 1..75
query_length: 75
state_a_pdb: 1GHC
state_a_chain: A
state_b_pdb: 1GHC
state_b_chain: A
target_state: A
expected_pattern_signature: Histone H1 globular domain ordered; long IDRs flank
literature_ref: Ramakrishnan 1993 Nature
source: https://doi.org/10.1038/362219a0
notes: ''
qc:
n_common_residues: 75
n_common_core_lt3A: 75
n_switch_region_ge3A: 0
core_fraction: 1.0
- case_id: SFB_ID_HMGB1_1AABA_1AABA
pattern: idp_idr_disorder_to_order
query_uniprot: P09429
query_pdb: 1AAB
query_chain: A
query_resi_range: 1..83
query_length: 83
state_a_pdb: 1AAB
state_a_chain: A
state_b_pdb: 1AAB
state_b_chain: A
target_state: A
expected_pattern_signature: 'HMGB1 box A: ordered when bound DNA; flexible apo termini'
literature_ref: Hardman 1995 Biochemistry
source: https://doi.org/10.1021/bi00050a012
notes: ''
qc:
n_common_residues: 83
n_common_core_lt3A: 83
n_switch_region_ge3A: 0
core_fraction: 1.0
- case_id: SFB_ID_NCOA1_1KBHB_1KBHB
pattern: idp_idr_disorder_to_order
query_uniprot: Q15788
query_pdb: 1KBH
query_chain: B
query_resi_range: 48..106
query_length: 59
state_a_pdb: 1KBH
state_a_chain: B
state_b_pdb: 1KBH
state_b_chain: B
target_state: A
expected_pattern_signature: NCOA1 NRID disorder-to-order helical when bound to CBP
literature_ref: Demarest 2002 Nature
source: https://doi.org/10.1038/nature724
notes: ''
qc:
n_common_residues: 59
n_common_core_lt3A: 59
n_switch_region_ge3A: 0
core_fraction: 1.0
- case_id: SFB_ID_NUMB_1WJ1A_1WJ1A
pattern: idp_idr_disorder_to_order
query_uniprot: P49757
query_pdb: 1WJ1
query_chain: A
query_resi_range: 1..156
query_length: 156
state_a_pdb: 1WJ1
state_a_chain: A
state_b_pdb: 1WJ1
state_b_chain: A
target_state: A
expected_pattern_signature: Numb PTB IDR disorder-to-order on peptide binding
literature_ref: Li 1998 EMBO J
source: https://doi.org/10.1093/emboj/17.24.7320
notes: ''
qc:
n_common_residues: 156
n_common_core_lt3A: 156
n_switch_region_ge3A: 0
core_fraction: 1.0
- case_id: SFB_ID_P27_1JSUC_1JSUC
pattern: idp_idr_disorder_to_order
query_uniprot: P46527
query_pdb: 1JSU
query_chain: C
query_resi_range: 25..93
query_length: 69
state_a_pdb: 1JSU
state_a_chain: C
state_b_pdb: 1JSU
state_b_chain: C
target_state: A
expected_pattern_signature: p27 KID region disorder-to-order upon Cdk2/cyclinA binding
literature_ref: Russo 1996 Nature
source: https://doi.org/10.1038/382325a0
notes: p27 alone is disordered; bound to Cdk2/CycA forms extended ordered conformation
qc:
n_common_residues: 69
n_common_core_lt3A: 69
n_switch_region_ge3A: 0
core_fraction: 1.0
- case_id: SFB_ID_P53TAD_2K8FA_2K8FA
pattern: idp_idr_disorder_to_order
query_uniprot: P04637
query_pdb: 2K8F
query_chain: A
query_resi_range: 1..90
query_length: 90
state_a_pdb: 2K8F
state_a_chain: A
state_b_pdb: 2K8F
state_b_chain: A
target_state: A
expected_pattern_signature: p53 TAD2 disorder-to-order helical conformation
literature_ref: Lee 2010 PNAS
source: https://doi.org/10.1073/pnas.0915169107
notes: ''
qc:
n_common_residues: 90
n_common_core_lt3A: 90
n_switch_region_ge3A: 0
core_fraction: 1.0
- case_id: SFB_ID_PKID_1KDXB_1KDXB
pattern: idp_idr_disorder_to_order
query_uniprot: Q01147
query_pdb: 1KDX
query_chain: B
query_resi_range: 119..146
query_length: 27
state_a_pdb: 1KDX
state_a_chain: B
state_b_pdb: 1KDX
state_b_chain: B
target_state: A
expected_pattern_signature: pKID disorder-to-order upon KIX binding (CREB-CBP)
literature_ref: Radhakrishnan 1997 Cell
source: https://doi.org/10.1016/S0092-8674(00)80463-8
notes: ''
qc:
n_common_residues: 27
n_common_core_lt3A: 27
n_switch_region_ge3A: 0
core_fraction: 1.0
- case_id: SFB_ID_PUMA_2M04B_2M04B
pattern: idp_idr_disorder_to_order
query_uniprot: Q9BXH1
query_pdb: 2M04
query_chain: B
query_resi_range: 68..92
query_length: 25
state_a_pdb: 2M04
state_a_chain: B
state_b_pdb: 2M04
state_b_chain: B
target_state: A
expected_pattern_signature: PUMA BH3-only IDR forms ordered helix bound to Bcl-xL
literature_ref: Rogers 2014 Structure
source: https://doi.org/10.1016/j.str.2014.02.005
notes: ''
qc:
n_common_residues: 25
n_common_core_lt3A: 25
n_switch_region_ge3A: 0
core_fraction: 1.0
- case_id: SFB_OL_BARNASE_1A2PA_1YVSA
pattern: oligomer_domain_swap
query_uniprot: P00648
query_pdb: 1A2P
query_chain: A
query_resi_range: 3..110
query_length: 108
state_a_pdb: 1A2P
state_a_chain: A
state_b_pdb: 1YVS
state_b_chain: A
target_state: B
expected_pattern_signature: Barnase monomer <-> engineered domain-swapped dimer
literature_ref: Zegers 1999 PNAS
source: https://doi.org/10.1073/pnas.96.3.818
notes: ''
qc:
n_common_residues: 108
n_common_core_lt3A: 70
n_switch_region_ge3A: 38
core_fraction: 0.648
- case_id: SFB_OL_BCLXL_1LXLA_1R2DA
pattern: oligomer_domain_swap
query_uniprot: Q07817
query_pdb: 1LXL
query_chain: A
query_resi_range: -3..217
query_length: 221
state_a_pdb: 1LXL
state_a_chain: A
state_b_pdb: 1R2D
state_b_chain: A
target_state: B
expected_pattern_signature: Bcl-xL monomer <-> domain-swapped dimer (apoptosis regulator)
literature_ref: Muchmore 1996 Nature
source: https://doi.org/10.1038/381335a0
notes: ''
qc:
n_common_residues: 142
n_common_core_lt3A: 125
n_switch_region_ge3A: 17
core_fraction: 0.88
- case_id: SFB_OL_CALBD9K_4ICBA_1HT9A
pattern: oligomer_domain_swap
query_uniprot: P05937
query_pdb: 4ICB
query_chain: A
query_resi_range: 0..75
query_length: 76
state_a_pdb: 4ICB
state_a_chain: A
state_b_pdb: 1HT9
state_b_chain: A
target_state: B
expected_pattern_signature: Calbindin D9k monomer <-> domain-swapped dimer (EF-hand)
literature_ref: Hakansson 2001 Protein Sci
source: https://doi.org/10.1110/ps.06301
notes: ''
qc:
n_common_residues: 76
n_common_core_lt3A: 44
n_switch_region_ge3A: 32
core_fraction: 0.579
- case_id: SFB_OL_CCL2_1DOKA_1DOMA
pattern: oligomer_domain_swap
query_uniprot: P13500
query_pdb: 1DOK
query_chain: A
query_resi_range: 0..71
query_length: 72
state_a_pdb: 1DOK
state_a_chain: A
state_b_pdb: 1DOM
state_b_chain: A
target_state: B
expected_pattern_signature: CCL2/MCP-1 monomer (1DOK) <-> dimer (1DOM) chemokine
assembly
literature_ref: Lubkowski 1997 Nat Struct Biol
source: https://doi.org/10.1038/nsb0197-64
notes: ''
qc:
n_common_residues: 71
n_common_core_lt3A: 66
n_switch_region_ge3A: 5
core_fraction: 0.93
- case_id: SFB_OL_CVN_1IIYA_3EZMA
pattern: oligomer_domain_swap
query_uniprot: P81180
query_pdb: 1IIY
query_chain: A
query_resi_range: 1..101
query_length: 101
state_a_pdb: 1IIY
state_a_chain: A
state_b_pdb: 3EZM
state_b_chain: A
target_state: B
expected_pattern_signature: Cyanovirin-N monomer <-> domain-swapped dimer (HIV-binding
lectin)
literature_ref: Yang 1999 JMB
source: https://doi.org/10.1006/jmbi.1999.3293
notes: ''
qc:
n_common_residues: 101
n_common_core_lt3A: 2
n_switch_region_ge3A: 99
core_fraction: 0.02
- case_id: SFB_OL_CYSTC_3GAXA_1TIJA
pattern: oligomer_domain_swap
query_uniprot: P01034
query_pdb: 3GAX
query_chain: A
query_resi_range: 12..120
query_length: 107
state_a_pdb: 3GAX
state_a_chain: A
state_b_pdb: 1TIJ
state_b_chain: A
target_state: B
expected_pattern_signature: Cystatin C monomer (3GAX) <-> domain-swapped dimer (1TIJ)
literature_ref: Janowski 2001 Nat Struct Biol
source: https://doi.org/10.1038/89638
notes: ''
qc:
n_common_residues: 107
n_common_core_lt3A: 56
n_switch_region_ge3A: 51
core_fraction: 0.523
- case_id: SFB_OL_DTOX_1F0LA_1DDTA
pattern: oligomer_domain_swap
query_uniprot: P00588
query_pdb: 1F0L
query_chain: A
query_resi_range: 1..535
query_length: 520
state_a_pdb: 1F0L
state_a_chain: A
state_b_pdb: 1DDT
state_b_chain: A
target_state: B
expected_pattern_signature: Diphtheria toxin monomer <-> domain-swapped dimer
literature_ref: Bennett 1994 Protein Sci
source: https://doi.org/10.1002/pro.5560030917
notes: ''
qc:
n_common_residues: 520
n_common_core_lt3A: 363
n_switch_region_ge3A: 157
core_fraction: 0.698
- case_id: SFB_OL_ENGRAILED_1ENHA_2JWTA
pattern: oligomer_domain_swap
query_uniprot: P02836
query_pdb: 1ENH
query_chain: A
query_resi_range: 3..56
query_length: 54
state_a_pdb: 1ENH
state_a_chain: A
state_b_pdb: 2JWT
state_b_chain: A
target_state: B
expected_pattern_signature: Engrailed homeodomain monomer <-> swapped dimer
literature_ref: Clarke 1994 Structure
source: https://doi.org/10.1016/S0969-2126(00)00006-7
notes: ''
qc:
n_common_residues: 54
n_common_core_lt3A: 51
n_switch_region_ge3A: 3
core_fraction: 0.944
- case_id: SFB_OL_ETA_1AOHA_1AOHB
pattern: oligomer_domain_swap
query_uniprot: P00552
query_pdb: 1AOH
query_chain: A
query_resi_range: 5..147
query_length: 143
state_a_pdb: 1AOH
state_a_chain: A
state_b_pdb: 1AOH
state_b_chain: B
target_state: B
expected_pattern_signature: Eta toxin monomer <-> swapped oligomeric form
literature_ref: Bennett 1995 PNAS
source: https://doi.org/10.1073/pnas.91.8.3127
notes: ''
qc:
n_common_residues: 143
n_common_core_lt3A: 143
n_switch_region_ge3A: 0
core_fraction: 1.0
- case_id: SFB_OL_GB1SW_2QMTA_1Q9VA
pattern: oligomer_domain_swap
query_uniprot: P19909
query_pdb: 2QMT
query_chain: A
query_resi_range: 1..56
query_length: 56
state_a_pdb: 2QMT
state_a_chain: A
state_b_pdb: 1Q9V
state_b_chain: A
target_state: B
expected_pattern_signature: Protein GB1 monomer <-> domain-swapped tetramer (engineered)
literature_ref: Byeon 2003 JMB
source: https://doi.org/10.1016/j.jmb.2003.08.005
notes: ''
qc:
n_common_residues: 56
n_common_core_lt3A: 0
n_switch_region_ge3A: 56
core_fraction: 0.0
- case_id: SFB_OL_HIVPR_1HHPA_3HVPA
pattern: oligomer_domain_swap
query_uniprot: P03366
query_pdb: 1HHP
query_chain: A
query_resi_range: 1..99
query_length: 99
state_a_pdb: 1HHP
state_a_chain: A
state_b_pdb: 3HVP
state_b_chain: A
target_state: B
expected_pattern_signature: HIV-1 protease dimer interface conformation (1HHP) <->
alternate (3HVP)
literature_ref: Spinelli 1991 Biochimie
source: https://doi.org/10.1016/0300-9084(91)90168-Z
notes: ''
qc:
n_common_residues: 97
n_common_core_lt3A: 97
n_switch_region_ge3A: 0
core_fraction: 1.0
- case_id: SFB_OL_IL5_1HULA_1HULB
pattern: oligomer_domain_swap
query_uniprot: P05113
query_pdb: 1HUL
query_chain: A
query_resi_range: 5..112
query_length: 108
state_a_pdb: 1HUL
state_a_chain: A
state_b_pdb: 1HUL
state_b_chain: B
target_state: B
expected_pattern_signature: Interleukin-5 obligate domain-swapped homodimer
literature_ref: Milburn 1993 Nature
source: https://doi.org/10.1038/363172a0
notes: ''
qc:
n_common_residues: 108
n_common_core_lt3A: 106
n_switch_region_ge3A: 2
core_fraction: 0.981
- case_id: SFB_OL_RNASA_7RSAA_1A2WA
pattern: oligomer_domain_swap
query_uniprot: P61823
query_pdb: 7RSA
query_chain: A
query_resi_range: 1..124
query_length: 124
state_a_pdb: 7RSA
state_a_chain: A
state_b_pdb: 1A2W
state_b_chain: A
target_state: B
expected_pattern_signature: Bovine RNase A monomer (7RSA) <-> C-terminal domain-swapped
dimer (1A2W)
literature_ref: Liu 1998 Protein Sci
source: https://doi.org/10.1002/pro.5560070806
notes: ''
qc:
n_common_residues: 124
n_common_core_lt3A: 104
n_switch_region_ge3A: 20
core_fraction: 0.839
- case_id: SFB_OL_STEFINB_1STFI_2OCTA
pattern: oligomer_domain_swap
query_uniprot: P04080
query_pdb: 1STF
query_chain: I
query_resi_range: 6..125
query_length: 98
state_a_pdb: 1STF
state_a_chain: I
state_b_pdb: 2OCT
state_b_chain: A
target_state: B
expected_pattern_signature: Stefin B monomer <-> domain-swapped dimer (cystatin
family)
literature_ref: Janowski 2001 Nat Struct Biol
source: https://doi.org/10.1038/89638
notes: ''
qc:
n_common_residues: 68
n_common_core_lt3A: 0
n_switch_region_ge3A: 68
core_fraction: 0.0
- case_id: SFB_OL_SUC1_1PUCA_1SCEA
pattern: oligomer_domain_swap
query_uniprot: P14635
query_pdb: 1PUC
query_chain: A
query_resi_range: 2..102
query_length: 101
state_a_pdb: 1PUC
state_a_chain: A
state_b_pdb: 1SCE
state_b_chain: A
target_state: B
expected_pattern_signature: p13suc1 closed monomer <-> beta-strand-swapped dimer
literature_ref: Bourne 1996 Cell
source: https://doi.org/10.1016/S0092-8674(00)81092-2
notes: ''
qc:
n_common_residues: 97
n_common_core_lt3A: 88
n_switch_region_ge3A: 9
core_fraction: 0.907