Analysis of pair 2z9oB_1repC

2z9oB vs 1repC

Figure 1: Two structures (Fold1 & Fold2)

Figure 2: Two structures aligned

Missing: Fold1 vs best AF2
Missing: Fold2 vs best AF2
Missing: Fold1 vs best AF3
Missing: Fold2 vs best AF3
Missing: Fold1 vs best ESM2
Missing: Fold2 vs best ESM2
Missing: Fold1 vs best ESM3
Missing: Fold2 vs best ESM3
[missing] 2z9oB vs. 1repC (unaligned) — interactive
[missing] 2z9oB vs. 1repC (aligned) — interactive

Figure 3: Deep-MSA contact map panel

Figure 4: Best clusters contact map panel

Figure 5: All clusters contact-map mosaic (small multiples).

Per-cluster contact maps

Figure 6: Aligned per-residue ΔΔG (seq alignment overlay).

Figure 7: Phylogenetic tree with per-cluster heatmap.

Cluster metrics table

clusternneffAF2_TM1AF2_TM2AF3_TM1AF3_TM2RE-MSAT-COMRE-MSAT1RE-MSAT2ESM_SEQIDSESM_TM1_LISTESM_TM2_LIST
Deep--0.630.890.620.980.020.020.02---
000--0.380.40.370.40.060.050.04007; 007; 004; 004; 006; 008; 001; 006; 008; 0010.54; 0.54; 0.48; 0.48; 0.45; 0.45; 0.45; 0.45; 0.45; 0.450.85; 0.85; 0.51; 0.51; 0.52; 0.47; 0.49; 0.52; 0.47; 0.49
001--0.550.660.550.640.00.00.0005; 005; 001; 003; 003; 001; 002; 002; 006; 0060.59; 0.59; 0.58; 0.58; 0.58; 0.58; 0.56; 0.56; 0.56; 0.560.77; 0.77; 0.79; 0.79; 0.79; 0.79; 0.81; 0.81; 0.83; 0.83
002--0.620.830.660.920.00.00.0006; 006; 001; 001; 002; 002; 004; 004; 010; 0100.68; 0.68; 0.65; 0.65; 0.58; 0.58; 0.57; 0.57; 0.57; 0.570.69; 0.69; 0.80; 0.80; 0.74; 0.74; 0.71; 0.71; 0.88; 0.88
003--0.430.420.420.420.020.020.02001; 002; 003; 001; 003; 002; 007; 007; 009; 0080.59; 0.59; 0.59; 0.59; 0.59; 0.59; 0.56; 0.56; 0.55; 0.550.83; 0.73; 0.79; 0.83; 0.79; 0.73; 0.83; 0.83; 0.93; 0.86
004--0.380.420.390.470.030.020.02003; 003; 005; 004; 009; 005; 004; 009; 001; 0020.59; 0.59; 0.58; 0.58; 0.58; 0.58; 0.58; 0.58; 0.57; 0.570.75; 0.75; 0.73; 0.69; 0.85; 0.73; 0.69; 0.85; 0.78; 0.72
005--0.470.470.540.630.030.040.03002; 002; 004; 004; 003; 003; 001; 001; 006; 0060.61; 0.61; 0.60; 0.60; 0.59; 0.59; 0.57; 0.57; 0.56; 0.560.79; 0.79; 0.73; 0.73; 0.70; 0.70; 0.77; 0.77; 0.82; 0.82
006--0.490.640.460.530.030.040.02002; 003; 003; 002; 004; 001; 004; 001; 009; 0060.59; 0.59; 0.59; 0.59; 0.58; 0.58; 0.58; 0.58; 0.55; 0.550.80; 0.79; 0.79; 0.80; 0.79; 0.79; 0.79; 0.79; 0.85; 0.83
007--0.550.70.550.760.030.030.02001; 001; 002; 002; 003; 003; 008; 005; 008; 0060.59; 0.59; 0.58; 0.58; 0.57; 0.57; 0.55; 0.55; 0.55; 0.550.74; 0.74; 0.81; 0.81; 0.82; 0.82; 0.86; 0.83; 0.86; 0.86
008--0.570.730.560.710.040.040.02003; 003; 005; 001; 005; 001; 002; 002; 004; 0040.60; 0.60; 0.59; 0.59; 0.59; 0.59; 0.58; 0.58; 0.56; 0.560.79; 0.79; 0.73; 0.78; 0.73; 0.78; 0.71; 0.71; 0.66; 0.66
009--0.570.630.580.670.040.030.03002; 003; 002; 007; 007; 003; 004; 004; 001; 0010.60; 0.60; 0.60; 0.60; 0.60; 0.60; 0.59; 0.59; 0.58; 0.580.78; 0.74; 0.78; 0.82; 0.82; 0.74; 0.76; 0.76; 0.74; 0.74
010--0.510.620.440.530.020.020.02001; 003; 003; 001; 004; 002; 002; 005; 004; 0050.58; 0.58; 0.58; 0.58; 0.57; 0.57; 0.57; 0.57; 0.57; 0.570.76; 0.80; 0.80; 0.76; 0.78; 0.86; 0.86; 0.79; 0.78; 0.79
011--0.370.40.350.380.010.020.01004; 008; 004; 008; 005; 005; 006; 006; 001; 0010.54; 0.54; 0.54; 0.54; 0.46; 0.46; 0.45; 0.45; 0.44; 0.440.61; 0.87; 0.61; 0.87; 0.49; 0.49; 0.48; 0.48; 0.50; 0.50
012--0.490.580.510.640.010.00.01007; 007; 002; 003; 004; 004; 003; 002; 001; 0010.59; 0.59; 0.58; 0.58; 0.58; 0.58; 0.58; 0.58; 0.56; 0.560.74; 0.74; 0.77; 0.76; 0.75; 0.75; 0.76; 0.77; 0.77; 0.77
013--0.440.470.450.480.060.050.04005; 005; 010; 010; 003; 003; 002; 002; 001; 0010.48; 0.48; 0.47; 0.47; 0.46; 0.46; 0.45; 0.45; 0.44; 0.440.49; 0.49; 0.50; 0.50; 0.51; 0.51; 0.50; 0.50; 0.47; 0.47
014--0.470.590.420.460.020.040.02004; 005; 004; 005; 001; 002; 001; 006; 002; 0060.60; 0.60; 0.60; 0.60; 0.59; 0.59; 0.59; 0.59; 0.59; 0.590.76; 0.79; 0.76; 0.79; 0.74; 0.76; 0.74; 0.78; 0.76; 0.78
015--0.520.570.490.580.040.040.04001; 002; 004; 001; 004; 002; 003; 003; 006; 0060.60; 0.60; 0.60; 0.60; 0.60; 0.60; 0.59; 0.59; 0.56; 0.560.74; 0.75; 0.73; 0.74; 0.73; 0.75; 0.76; 0.76; 0.83; 0.83

Aligned per-residue ΔΔG

aln_posaa1aa2E1E2dEdiff
1X-16.03--
2X-8.69--
3X-3.93--
4X-22.31--
5X-7.05--
6X-40.9--
7X-41.78--
8X-15.31--
9X-14.85--
10X-1.52--
11X-9.76--
12X-19.59--
13X-15.48--
14X-1.84--
15X-4.21--
16X-9.67--
17X-17.32--
18X-14.92--
19X-11.23--
20X-8.12--
21X-21.64--
22X-28.43--
23X-8.99--
24X-20.79--
25XX21.716.6915.02
26XX9.7812.24-2.46
27XX15.97.728.18
28XX12.177.474.7
29XX19.770.3819.4
30XX22.652.3220.33
31XX17.789.188.6
32XX12.537.465.08
33XX1.711.370.34
34XX1.05.33-4.33
35XX8.578.420.15
36XX8.414.663.75
37XX7.03.033.97
38XX7.731.716.02
39XX39.641.2438.4
40XX37.161.8735.28
41XX22.993.6119.37
42XX27.164.1722.99
43XX9.431.168.27
44XX10.333.756.58
45XX20.780.3220.46
46XX13.03-1.4814.51
47XX2.54-0.563.1
48XX2.189.06-6.88
49XX10.676.464.21
50XX16.582.7513.84
51XX13.1711.381.79
52XX15.5410.544.99
53XX13.894.399.5
54XX14.743.0911.66
55XX13.793.3510.43
56XX4.2713.45-9.19
57XX8.7110.19-1.48
58XX20.87-2.4423.31
59XX12.616.486.13
60XX36.779.4927.28
61XX25.896.1819.71
62XX15.5725.59-10.03
63XX13.2619.62-6.37
64XX11.9813.59-1.61
65XX6.814.11-7.31
66XX10.572.827.76
67S-0.64--
68N-3.57--
69D-2.62--
70L-3.52--
71T-8.96--
72E-0.66--
73A-5.96--
74A-0.76--
75Y-2.96--
76S-13.73--
77L-10.09--
78S-16.63--
79R-16.92--
80D-11.95--
81Q-25.5--
82K-18.81--
83R-25.23--
84M-1.62--
85L-7.71--
86Y-2.82--
87L-5.89--
88F-44.08--
89V-2.42--
90D-0.64--
91Q-4.05--
92I-19.24--
93R-12.96--
94D-7.06--
95G-7.2--
96I-5.9--
97C-3.29--
98E-0.01--
99I-5.16--
100H-6.57--
101V-0.99--
102A-2.2--
103K-2.41--
104Y--0.02--
105A-4.74--
106E-17.81--
107I-5.33--
108F-11.28--
109G-4.41--
110L-45.05--
111T-0.72--
112S-0.05--
113A-1.82--
114E-17.11--
115A--0.54--
116S-2.41--
117K-8.69--
118D-8.57--
119I-10.55--
120R-10.1--
121Q-18.26--
122A--0.04--
123L-1.43--
124K-5.04--
125S-4.84--
126F-3.76--
127A-4.02--
128G-3.4--
129K-6.4--
130E-7.1--
131V--3.99--
132V--1.64--
133F--1.01--
134Y-10.57--
135R-13.38--
136P-14.8--
137E-28.36--
138E-8.47--
139D-19.11--
140A-1.75--
141G-1.54--
142D-1.0--
143E-5.34--
144K-10.33--
145G-2.49--
146Y-6.45--
147E-9.13--
148S-0.18--
149F-2.28--
150P-0.57--
151W--2.24--
152F-3.79--
153I-32.13--
154K-22.54--
155R-5.35--
156A-21.5--
157H-1.78--
158S-3.34--
159P-23.96--
160S-9.03--
161R-3.86--
162G-1.54--
163L-22.34--
164Y-0.01--
165S--1.49--
166V-4.43--
167H-1.35--
168I-20.04--
169N-22.41--
170P-18.77--
171Y-6.47--
172L-2.55--
173I-12.43--
174P-11.79--
175F-3.2--
176F-2.74--
177I-7.28--
178G-2.77--
179L--0.45--
180Q-7.79--
181N-0.08--
182R-14.43--
183F-4.17--
184T-3.3--
185Q-1.31--
186F-5.42--
187R-8.27--
188L-4.82--
189S-9.31--
190E-9.12--
191T-2.59--
192K-3.74--
193E-7.15--
194I-1.26--
195T-0.93--
196N-19.39--
197P-28.39--
198Y-2.95--
199A--1.39--
200M-1.02--
201R-20.63--
202L-11.72--
203Y--3.54--
204E--0.07--
205S-7.92--
206L-7.76--
207C-3.51--
208Q-8.06--
209Y-6.19--
210R-7.55--
211K-8.51--
212P-0.85--
213D-13.43--
214G-0.92--
215S-7.89--
216G--0.82--
217I-3.19--
218V-8.14--
219S-0.74--
220L-2.72--
221K-8.94--
222I-3.78--
223D--0.35--
224W-6.44--
225I-1.84--
226I-17.67--
227E-8.99--
228R-11.51--
229Y-13.48--
230Q-24.43--
231L-6.87--
232P-2.22--
233Q-20.2--
234S-11.53--
235Y-5.28--
236Q-19.08--
237R-15.09--
238M-11.75--
239P-13.59--
240D--0.83--
241F-0.59--
242R-11.11--
243R-2.2--
244R-8.53--
245F-13.71--
246L-30.56--
247Q-7.81--
248V-6.7--
249C-2.54--
250V-9.71--
251N-2.52--
252E-4.41--
253I-9.84--
254N-0.24--
255SS12.2525.72-13.47
256R-2.27--
257T-15.14--
258PP-1.783.19-4.97
259M-1.92--
260R-17.67--
261L-23.53--
262S-1.14--
263Y--1.84--
264I-2.7--
265E-4.92--
266K-4.96--
267K-2.48--
268K-2.03--
269G-2.5--
270RR5.4710.45-4.98
271Q-2.07--
272T-12.37--
273T-12.79--
274H-13.79--
275II-2.844.98-7.83
276VV-0.4910.06-10.55
277F--1.56--
278S-2.57--
279F-7.52--
280R-20.99--
281D-12.02--
282I-9.76--
283T-28.81--
284S-8.64--
285M-8.51--
286T-6.99--
287T-1.79--
288G-1.06--
289QQ2.488.65-6.17
290SS4.779.06-4.3
291NN14.7511.782.97
292DD9.174.055.12
293LL10.3918.88-8.49
294TT9.492.716.79
295EE9.2910.29-1.0
296AA3.27-1.664.93
297AA-0.93-0.43-0.5
298YY0.75-2.232.98
299SS10.094.945.15
300LL6.85-2.269.12
301SS3.640.652.99
302RR8.1414.53-6.39
303DD4.63-0.45.02
304QQ0.9-1.452.35
305KK9.739.140.59
306RR22.37-3.2725.65
307MM22.117.5414.57
308LL-0.851.18-2.02
309YY5.22-0.826.03
310LL3.140.742.41
311FF12.441.0911.35
312VV5.1311.9-6.77
313DD4.952.722.23
314QQ7.2522.73-15.48
315II204.214.62199.59
316-R-13.66-
317-K-15.85-
318-S-9.35-
319-H-2.95-
320DD4.254.99-0.74
321GG2.17-4.416.58
322II11.2213.6-2.37
323CC5.125.16-0.04
324EE4.1113.93-9.81
325II11.923.258.67
326HH17.77-0.0317.79
327VV7.94-1.119.05
328AA5.251.93.35
329KK32.7512.6420.11
330YY9.42-3.1112.53
331AA6.08-3.19.18
332EE6.4413.56-7.12
333II8.683.385.3
334FF13.26-4.3517.61
335GG0.78-1.071.85
336LL0.3512.14-11.79
337TT10.810.939.88
338SS0.25.75-5.56
339AA1.752.11-0.36
340EE9.87-5.5115.38
341AA2.72-1.494.2
342SS0.621.21-0.59
343KK15.897.088.8
344DD3.1-6.639.73
345II24.3132.01-7.7
346RR10.472.497.98
347QQ8.864.594.26
348AA1.02-3.624.63
349LL1.14-1.62.74
350KK3.869.86-6.0
351SS2.652.240.4
352FF3.056.1-3.05
353AA3.141.571.57
354GG1.14-1.162.3
355KK6.963.043.91
356EE0.331.82-1.49
357VV-3.9911.0-14.99
358VV1.6-1.793.39
359FF5.81.754.05
360Y-2.82--
361R-18.25--
362P-4.51--
363E-23.01--
364E-25.37--
365D-36.98--
366A-5.46--
367G-1.19--
368D-4.88--
369E-8.16--
370K--0.49--
371G-4.47--
372YY6.0636.92-30.86
373EE24.1511.4412.71
374SS0.368.92-8.57
375FF19.144.9814.17
376PP3.24-1.14.34
377WW-3.85-3.21-0.63
378FF0.037.09-7.06
379II27.482.8824.6
380KK3.0232.71-29.69
381R-5.94--
382-P--2.02-
383AA1.61-1.993.6
384HH2.242.41-0.17
385SS12.631.8210.82
386PP13.4838.64-25.16
387SS3.1413.51-10.37
388RR2.4913.24-10.74
389GG6.59-1.68.19
390LL11.3527.72-16.37
391YY-1.29-1.480.19
392SS3.29-1.424.71
393VV19.460.3419.12
394HH12.691.5911.11
395II185.497.92177.57
396NN13.03-0.2813.31
397PP19.423.2516.17
398YY2.993.85-0.86
399LL-1.392.52-3.9
400II11.9315.0-3.07
401PP12.1514.81-2.65
402FF4.454.71-0.27
403FF1.29-0.181.47
404II2.9311.44-8.51
405GG3.546.32-2.79
406LL0.1116.23-16.13
407QQ12.9226.8-13.88
408NN0.3123.46-23.15
409RR8.211.85-3.65
410FF11.616.165.44
411TT5.82-0.66.42
412QQ9.8211.01-1.19
413FF3.53-3.466.99
414RR1.694.68-2.99
415LL4.3316.95-12.62
416SS16.755.4411.31
417EE2.349.33-6.99
418TT24.31-1.2425.55
419KK17.299.947.35
420EE5.3711.24-5.87
421II-2.154.0-6.15
422TT2.174.26-2.09
423NN13.88-3.1317.01
424PP37.76-3.9941.74
425YY2.99-1.44.39
426AA-0.22-3.483.25
427MM22.761.1621.59
428RR28.7712.5916.18
429LL13.1717.8-4.64
430YY1.032.0-0.96
431EE4.471.942.53
432SS5.2811.69-6.41
433LL6.74-5.211.94
434CC7.550.337.22
435QQ4.730.873.86
436YY18.14-1.6319.77
437RR18.5946.83-28.23
438KK19.0412.816.22
439PP2.45-0.923.37
440DD4.647.6-2.97
441GG-1.20.81-2.01
442SS3.549.35-5.82
443GG-0.25-1.371.11
444II0.5510.29-9.74
445VV12.25-2.114.35
446SS-0.062.41-2.47
447LL4.451.72.76
448KK12.036.595.45
449II18.6943.0-24.31
450DD2.814.85-2.04
451WW16.11.1214.98
452II2.47-3.055.52
453II8.678.090.58
454EE4.6214.81-10.19
455RR15.762.613.16
456YY4.24-0.925.16
457QQ-0.6910.79-11.48
458LL6.654.492.16
459PP10.012.337.68
460QQ11.0113.97-2.96
461SS2.011.410.61
462YY28.833.9924.83
463QQ8.365.962.4
464RR41.1211.1929.93
465MM12.7915.61-2.82
466PP37.329.5927.72
467DD4.480.44.09
468FF-1.20.43-1.64
469RR12.535.167.38
470RR21.2510.6210.63
471RR31.952.1229.83
472FF1.68-2.263.94
473LL14.5915.19-0.6
474QQ16.9312.324.61
475VV8.275.642.62
476CC8.860.947.92
477VV5.12-0.855.97
478NN1.753.92-2.16
479EE16.643.613.04
480II4.0818.53-14.45
481NN11.72-0.5112.23
482SS2.254.02-1.76
483RR10.2715.12-4.86
484TT10.698.352.35
485PP1.07-0.992.05
486MM1.17-0.561.73
487RR23.846.8217.01
488LL2.773.09-0.32
489SS5.994.371.62
490YY9.67-2.3712.04
491II7.61-0.357.95
492EE4.06-0.14.16
493KK13.984.129.87
494KK16.1838.14-21.96
495KK8.2525.24-16.98
496GG1.012.87-1.86
497RR23.9328.17-4.25
498QQ7.6812.36-4.68
499TT8.357.60.75
500TT0.385.79-5.4
501HH14.393.2511.14
502II-3.421.83-5.26
503VV5.5-1.216.71
504FF1.14-0.521.67
505SS1.115.2-4.09
506FF1.836.48-4.64
507RR10.6716.76-6.09
508DD3.884.45-0.57
509II20.0210.779.24
510TT5.3518.78-13.44
511S-7.62--
512-X--19.55-