Misfolded protein structures with non-native topological entanglements

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Native contact; Misfolded protein; Closed loop formed by the native contact; Threading segment;
Native protein; Native structure of the region; Native structure of the region;
"Summary of entangled state representative entanglement makeup"
ent_stateID NC Change Type N ref gN struct gN Change Type C ref gC struct gC crossings
0 0 (18, 44) N/A N/A N/A 0.0 0.08465791803258471 -0.9355187921671313 [[], [59]]
1 0 (31, 76) 0.0 0.19575035672766358 -0.8150131575126701 N/A N/A N/A [[22], []]
2 0 (269, 317) 2.0 -0.8732855994355508 -0.13087432664685905 N/A N/A N/A [[258], []]
3 0 (43, 164) 2.0 0.8435472593532785 -0.14943103044352052 N/A N/A N/A [[18], []]
4 1 (16, 47) N/A N/A N/A 0.0 0.24234607800021982 -0.764456324949208 [[], [58]]
5 1 (31, 76) 0.0 0.19575035672766358 -0.7997562603996494 N/A N/A N/A [[23], []]
6 1 (43, 164) 2.0 0.8435472593532785 -0.15646088881026998 N/A N/A N/A [[18], []]
7 2 (136, 158) 0.0 0.014621532995040928 -0.6025779957077516 N/A N/A N/A [[7], []]
8 2 (40, 139) 2.0 0.7957907284585308 0.017543283964934667 N/A N/A N/A [[17], []]
9 3 (126, 149) 0.0 0.13193736021380692 -0.6563479389842647 N/A N/A N/A [[9], []]
10 3 (40, 166) 4.0 0.8295932587699332 -0.6226734747198001 N/A N/A N/A [[10], []]
11 3 (40, 139) 2.0 0.7957907284585308 0.035859214106979335 N/A N/A N/A [[17], []]
12 4 (92, 107) N/A N/A N/A 0.0 0.031518605173501614 -1.0265041974468159 [[], [120]]
13 4 (53, 101) N/A N/A N/A 2.0 0.6212862632993704 -0.46811513510283714 [[], [108]]
14 5 (97, 128) 0.0 0.24778063184982663 -0.720268947350746 N/A N/A N/A [[59], []]
15 5 (37, 77) N/A N/A N/A 0.0 0.21455157181023765 -0.7625505503887929 [[], [111]]
16 5 (53, 101) N/A N/A N/A 2.0 0.6212862632993704 -0.35184315525991294 [[], [108]]
17 6 (92, 107) N/A N/A N/A 0.0 0.031518605173501614 -1.0323380137989053 [[], [118]]
18 6 (53, 101) N/A N/A N/A 2.0 0.6212862632993704 -0.4896670001734092 [[], [108]]
19 6 (112, 150) 0.0 0.2711641259828238 -0.8615066346479008 N/A N/A N/A [[95], []]
20 7 (126, 149) 0.0 0.13193736021380692 -0.6709664410828614 N/A N/A N/A [[8], []]
"Statistical permutation test for model consistency with LiP-MS data"
1zmr_pval 1zmr_avgQ 1zmr_avgG 1zmr_repents 1zmr_frames ent_state_id
0 0.016080 0.866155 0.024511 [0, 1, 4, 8] [0, 16, 19] 0
1 0.030453 0.914962 0.027273 [0, 1, 4] [18, 17, 1, 15] 1
2 0.142580 0.861893 0.031726 [1, 7] [20] 2
3 0.016080 0.915601 0.038084 [1, 2, 7] [23] 3
4 1.000000 0.872123 0.034728 [3, 5] [2, 3, 4] 4
5 0.239560 0.899744 0.012553 [3, 5, 6] [7, 8, 9, 5, 6] 5
6 1.000000 0.925831 0.033007 [3, 5, 7] [21] 6
7 0.221664 0.874680 0.036936 [7] [22, 24] 7
"All representative entanglements resulting from clustering"
frame NC Nchange Nchange_ref_g Nchange_frame_g Cchange Cchange_ref_g Cchange_frame_g crossing surrounding
0 1 (20, 40) NaN NaN NaN 0.0 -0.063 -0.950 [[], [59]] [[], [20, 21, 22, 23, 24, 32, 36, 37, 40, 57, 58, 59, 60, 61, 77]]
1 20 (40, 139) 2.0 0.796 0.018 NaN NaN NaN [[17], []] [[15, 16, 17, 18, 19, 54, 55, 56, 57, 132, 133, 134, 135, 136, 137], []]
2 23 (40, 166) 4.0 0.830 -0.623 NaN NaN NaN [[10], []] [[8, 9, 10, 11, 12, 17, 18, 19, 126, 129, 130, 136, 137, 138, 149, 150, 151, 152, 153, 154, 155], []]
3 2 (53, 101) NaN NaN NaN 2.0 0.621 -0.468 [[], [108]] [[], [55, 56, 57, 74, 78, 89, 90, 91, 92, 106, 107, 108, 109, 110]]
4 15 (60, 74) 0.0 -0.065 -0.822 NaN NaN NaN [[30], []] [[28, 29, 30, 31, 32, 33, 60, 61, 62, 63, 64, 65, 66, 67, 68, 69, 70, 71], []]
5 2 (92, 107) NaN NaN NaN 0.0 0.032 -1.027 [[], [120]] [[], [91, 92, 93, 94, 95, 96, 97, 98, 99, 107, 108, 109, 110, 118, 119, 120, 121, 122, 123, 126, 127]]
6 8 (97, 128) 0.0 0.248 -0.749 NaN NaN NaN [[58], []] [[17, 18, 19, 55, 56, 57, 58, 59, 60, 96, 108, 109, 110, 111, 112, 129, 150], []]
7 24 (136, 154) 0.0 -0.061 -0.616 NaN NaN NaN [[7], []] [[5, 6, 7, 8, 9, 19, 138, 139, 140, 141, 142, 143, 144, 150, 151, 152, 377, 378], []]
8 0 (269, 317) 2.0 -0.873 -0.131 NaN NaN NaN [[258], []] [[256, 257, 258, 259, 260, 269, 270, 271, 272, 283, 284, 285, 286, 287, 318], []]