Analysis of pair 3ztjE_5hmgA

3ztjE vs 5hmgA

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] 3ztjE vs. 5hmgA (unaligned) — interactive
[missing] 3ztjE vs. 5hmgA (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--0.930.90.950.940.050.050.05---
000--0.820.80.840.820.00.00.0006; 006; 001; 001; 007; 007; 009; 009; 005; 0020.55; 0.54; 0.52; 0.52; 0.49; 0.48; 0.46; 0.46; 0.43; 0.430.53; 0.52; 0.52; 0.51; 0.47; 0.47; 0.45; 0.45; 0.42; 0.42
001--0.590.580.690.670.00.00.0003; 003; 001; 001; 009; 009; 004; 002; 004; 0080.54; 0.53; 0.51; 0.50; 0.48; 0.47; 0.46; 0.46; 0.46; 0.460.52; 0.52; 0.49; 0.49; 0.47; 0.45; 0.44; 0.45; 0.44; 0.45
002--0.740.730.770.750.00.00.0001; 001; 006; 006; 007; 009; 007; 009; 008; 0080.57; 0.57; 0.56; 0.55; 0.53; 0.53; 0.53; 0.51; 0.50; 0.500.56; 0.55; 0.54; 0.54; 0.52; 0.51; 0.52; 0.49; 0.48; 0.49
003--0.50.490.510.50.010.010.01005; 001; 005; 001; 006; 002; 002; 006; 008; 0080.54; 0.52; 0.52; 0.52; 0.52; 0.52; 0.51; 0.51; 0.48; 0.480.52; 0.51; 0.51; 0.51; 0.51; 0.51; 0.50; 0.50; 0.47; 0.47
004--0.50.490.510.50.00.00.0005; 001; 005; 001; 006; 002; 002; 006; 008; 0080.54; 0.52; 0.52; 0.52; 0.52; 0.52; 0.51; 0.51; 0.48; 0.480.52; 0.51; 0.51; 0.51; 0.51; 0.51; 0.50; 0.50; 0.47; 0.47
005--0.350.340.370.36---004; 004; 005; 005; 010; 010; 001; 001; 008; 0020.55; 0.55; 0.54; 0.54; 0.52; 0.52; 0.49; 0.49; 0.43; 0.430.54; 0.54; 0.53; 0.52; 0.50; 0.50; 0.48; 0.48; 0.42; 0.42

Aligned per-residue ΔΔG

aln_posaa1aa2E1E2dEdiff
1-Q-1.14-
2-D-1.26-
3-L-8.33-
4-P-5.56-
5-G-2.56-
6-N-2.64-
7-D-12.03-
8-N-7.43-
9SS19.421.0418.38
10TT5.259.73-4.48
11AA1.8-1.012.81
12TT0.78-0.581.36
13LL-2.8134.17-36.98
14CC-0.071.19-1.26
15LL-1.99-0.78-1.2
16GG-3.34-3.410.07
17HH4.73-0.475.2
18HH6.759.44-2.69
19AA-2.57-2.37-0.2
20VV10.051.878.18
21PP-0.748.66-9.4
22NN15.018.936.08
23GG-2.222.42-4.63
24TT1.283.04-1.76
25LL0.38-0.811.19
26VV-2.6514.7-17.35
27KK0.622.13-1.51
28TT-1.0510.88-11.92
29II13.177.925.25
30TT1.680.521.16
31DD4.044.07-0.04
32DD3.922.980.94
33QQ5.652.093.55
34II2.270.721.55
35EE-2.25.07-7.27
36VV-1.81-3.751.94
37TT-0.574.02-4.58
38NN461.22457.184.04
39AA2.15-0.812.96
40TT0.47-0.430.9
41EE3.03-2.25.22
42LL-1.5-4.062.57
43VV2.48-3.225.69
44QQ3.79-1.144.93
45SS-0.243.52-3.76
46SS0.482.22-1.75
47SS0.991.73-0.74
48TT13.421.6111.81
49GG0.44-1.872.3
50KK11.744.637.11
51II-1.1-4.383.28
52CC-1.021.17-2.19
53NN9.650.489.18
54NN8.623.575.05
55PP3.110.992.12
56HH0.55-1.942.49
57RR84.1117.2166.9
58II5.12.422.68
59LL1.09-2.163.25
60DD-0.48-2.692.21
61GG-0.3-1.090.79
62II19.0414.394.65
63DD23.518.0415.47
64CC4.180.433.75
65TT0.511.43-0.92
66LL-4.16-4.780.62
67II10.650.0110.64
68DD6.00.945.06
69AA-0.34-2.271.93
70LL18.52-1.7520.27
71LL-3.7-4.340.64
72GG-1.79-0.77-1.03
73DD2.885.58-2.7
74PP5.563.02.55
75HH2.58.89-6.38
76CC0.30.66-0.36
77DD4.335.5-1.17
78VV4.310.56-6.26
79FF-0.94-3.12.16
80QQ3.087.32-4.24
81NN325.2459.07-133.88
82EE-0.331.54-1.87
83TT10.7111.1-0.39
84WW-1.96-4.892.93
85DD1.07-0.071.14
86LL8.8-4.9913.8
87FF-0.35-3.843.49
88VV-2.84-4.471.62
89EE-1.268.79-10.04
90RR-0.86-2.371.5
91SS6.170.425.75
92KK10.739.920.81
93AA1.18-1.012.19
94FF2.533.59-1.07
95SS2.3313.51-11.19
96NN0.2610.55-10.29
97CC4.890.334.56
98YY6.4521.13-14.67
99PP18.4316.412.02
100YY1.5-0.512.01
101DD3.01.771.22
102VV17.025.5111.51
103PP0.61-2.332.94
104DD3.01-0.493.49
105YY2.662.91-0.25
106AA3.530.153.38
107SS4.79-0.174.96
108LL-1.7118.77-20.48
109RR5.656.17-0.52
110SS1.61.50.1
111LL12.040.1611.88
112VV-0.77-4.233.46
113AA-1.22-3.041.82
114SS25.664.0621.6
115SS6.981.665.32
116GG-2.8-3.350.56
117TT0.521.51-0.98
118LL7.269.87-2.62
119EE1.832.07-0.24
120FF20.86-2.323.16
121II23.26-1.4924.75
122TT7.91-0.898.81
123EE-2.25-0.46-1.79
124GG3.671.582.1
125FF-1.32-3.171.85
126TT14.994.2210.77
127WW-2.050.46-2.51
128TT7.717.4-9.71
129GG1.33-0.692.02
130VV8.68-1.6710.35
131TT5.430.395.04
132QQ3.18.93-5.83
133NN0.935.98-5.05
134GG0.470.320.15
135GG0.47-0.881.35
136SS3.66-0.464.12
137NN7.646.041.59
138AA-1.26-1.60.34
139CC2.773.28-0.51
140KK4.584.10.48
141RR3.698.28-4.59
142GG14.182.5711.61
143PP21.34.416.9
144GG2.231.610.62
145SS2.60.292.31
146GG-1.0-1.680.69
147FF0.12-0.440.56
148FF-3.1-0.7-2.4
149SS0.916.67-5.75
150RR3.0410.57-7.53
151LL-2.53-2.830.29
152NN-0.942.07-3.02
153WW-3.31-4.070.76
154LL-2.07-2.340.27
155TT-1.116.99-8.1
156KK3.626.34-2.72
157SS7.132.065.07
158GG5.670.744.93
159SS1.5212.31-10.79
160TT12.869.743.13
161YY7.456.321.13
162PP5.935.490.44
163VV3.41.881.52
164LL7.965.292.67
165NN378.02452.03-74.0
166VV-0.72-1.290.58
167TT1.391.030.36
168MM3.841.941.9
169PP2.84-0.813.65
170NN0.01-0.90.91
171NN5.122.832.29
172DD6.1710.56-4.39
173NN6.311.245.07
174FF1.084.19-3.12
175DD-2.32-2.03-0.29
176KK-2.75-4.051.3
177LL-0.58-1.510.93
178YY-3.28-3.790.51
179II4.49-4.358.84
180WW-4.221.4-5.61
181GG-1.62-1.730.11
182II0.65-2.12.75
183HH-1.73-1.22-0.51
184HH21.230.3420.9
185PP12.93-0.1613.09
186SS3.9-0.834.74
187TT6.96-0.087.04
188NN3.999.4-5.42
189QQ5.13.51.61
190EE0.42-0.581.0
191QQ8.96-2.6811.65
192TT3.461.951.51
193SS2.040.851.19
194LL-0.08-3.273.19
195YY6.3-6.2812.57
196VV2.175.3-3.13
197QQ4.2121.29-17.08
198AA2.650.721.93
199SS1.872.72-0.84
200GG-1.21-1.250.04
201RR8.041.686.36
202VV10.39-3.8214.21
203TT10.12-1.2311.35
204VV9.96-3.0813.05
205SS3.4711.41-7.94
206TT-0.950.63-1.58
207RR6.530.436.1
208RR7.55.222.29
209SS9.010.098.92
210QQ9.43.356.05
211QQ4.955.11-0.17
212TT14.431.9212.52
213II0.716.54-5.83
214II22.672.2920.38
215PP23.66-2.1525.82
216NN10.884.116.78
217II16.050.6815.36
218GG5.46-0.916.37
219SS0.330.63-0.3
220RR10.6214.32-3.71
221PP66.739.1457.59
222WW4.347.08-2.74
223VV22.172.0820.08
224RR8.539.4-0.86
225GG0.53-1.431.97
226LL4.08-1.875.95
227SS-1.113.5-4.61
228SS1.362.49-1.13
229RR0.25.66-5.46
230II6.112.843.27
231SS-1.54-0.56-0.98
232II1.67-2.324.0
233YY-0.11-4.564.45
234WW3.29-0.553.84
235TT3.88-3.417.29
236II15.61-2.9418.56
237VV4.56-4.088.64
238KK7.794.113.68
239PP-3.62.6-6.2
240GG1.28-2.623.9
241DD5.79-3.669.45
242VV6.021.974.04
243LL-0.96-5.054.09
244VV1.71-1.613.32
245II2.93-5.168.09
246NN1.76-1.333.09
247SS-0.87-1.280.42
248NN2.165.78-3.61
249GG-0.21-1.771.56
250NN17.41-3.0420.44
251LL-0.2213.05-13.27
252II6.24-2.418.66
253AA-2.45-1.38-1.07
254PP-4.42-2.75-1.67
255RR4.088.89-4.81
256GG-2.42-3.310.89
257YY-1.44-3.011.56
258FF-4.73-6.41.67
259KK3.874.61-0.74
260MM25.993.0122.97
261RR2.743.64-0.9
262TT3.453.270.18
263GG0.60.95-0.35
264KK13.657.975.68
265SS7.754.373.39
266SS-1.095.52-6.61
267II8.980.648.33
268MM40.97-2.8543.82
269RR5.654.251.4
270SS1.13-0.972.1
271DD11.41-0.3711.78
272AA10.834.416.42
273PP6.425.490.94
274II10.44-0.3110.76
275DD4.181.143.04
276TT4.434.180.25
277CC6.45.161.24
278II5.197.36-2.17
279SS0.70.080.62
280EE13.250.7312.52
281CC-0.230.98-1.22
282II19.35-4.2323.58
283TT1.8910.21-8.32
284PP-0.558.67-9.21
285NN372.84466.87-94.03
286GG0.29-2.853.14
287SS-0.69-2.011.32
288II13.33.479.83
289PP13.725.518.21
290NN0.841.02-0.18
291DD5.577.61-2.04
292KK20.560.6119.95
293PP11.05-3.2914.34
294FF0.59-4.455.04
295QQ4.760.014.76
296NN5.12.272.83
297VV0.45-2.242.68
298NN5.33-0.816.13
299KK7.773.74.07
300II1.47-0.872.34
301TT4.864.440.42
302YY-0.55-4.063.51
303GG-1.01-3.12.09
304AA-2.280.16-2.44
305CC4.67.51-2.92
306PP-1.834.46-6.29
307KK10.020.449.58
308YY-1.35-3.532.17
309VV11.9914.0-2.01
310KK4.750.724.04
311QQ3.851.532.31
312NN3.191.591.6
313TT4.630.54.13
314LL3.478.0-4.53
315KK9.07-1.2910.36
316LL-2.02-3.581.57
317AA-2.07-3.131.06
318TT10.614.915.7
319GG-0.98-1.130.15
320MM1.831.440.39
321RR5.3816.46-11.08
322NN1.71-2.814.53
323VV4.334.59-0.26
324PP22.352.8519.5
325EE3.6415.31-11.67
326KK2.798.11-5.32
327-Q-12.32-
328-T-17.72-
329-X-6.99-
330-X-458.37-
331-X-460.74-
332-X-465.84-
333GG0.97-0.051.02
334LL2.721.241.47
335FF4.641.413.23
336GG4.66-1.025.69
337AA-0.43-0.16-0.27
338II3.083.43-0.35
339AA0.28-0.50.78
340GG1.031.08-0.06
341FF1.681.96-0.28
342II12.110.9311.19
343EE5.242.982.26
344NN6.153.22.95
345GG0.58-1.111.68
346WW0.79-1.11.89
347EE8.521.077.45
348GG0.340.69-0.35
349MM12.780.8311.95
350II6.734.422.31
351DD3.890.443.45
352GG-0.57-0.830.26
353WW-2.8-3.210.41
354YY-3.07-3.160.09
355GG1.4-2.593.98
356FF-3.05-4.651.6
357RR3.76-0.954.71
358HH2.8314.1-11.27
359QQ7.755.781.97
360NN-0.1933.02-33.21
361SS6.6511.62-4.97
362EE4.678.34-3.67
363GG1.763.51-1.75
364TT11.341.919.43
365GG1.071.49-0.42
366QQ2.564.23-1.67
367AA-1.34-1.380.04
368AA-1.15-2.341.19
369DD1.07-1.632.7
370LL5.555.490.06
371KK10.53.666.84
372SS0.85-1.11.95
373TT-1.64-2.280.64
374QQ5.416.59-1.18
375AA0.07-0.560.63
376AA-1.76-2.580.82
377II-3.759.58-13.33
378DD1.22-0.812.03
379QQ0.32-1.091.41
380II5.15-2.948.09
381NN2.841.191.65
382GG1.640.121.52
383KK3.461.981.48
384LL1.16-0.882.04
385NN6.171.24.97
386RR12.9522.8-9.85
387VV10.530.1510.38
388II7.669.74-2.08
389EE11.0818.7-7.63
390KK4.6810.79-6.11
391TT8.852.766.1
392NN9.296.372.92
393EE4.240.573.67
394KK40.57-0.9241.49
395FF27.124.722.42
396HH7.226.470.75
397QQ12.815.287.53
398II12.981.7111.27
399EE2.442.75-0.3
400KK5.47-1.937.4
401EE11.155.385.77
402FF2.780.272.51
403SS3.555.81-2.26
404EE15.149.615.54
405VV30.970.7430.23
406EE0.18-0.60.77
407GG4.59-0.65.19
408RR1.55-1.643.19
409II9.784.015.76
410QQ4.771.223.55
411DD-1.170.1-1.26
412LL-0.17-4.894.72
413EE0.22-3.944.17
414KK10.310.979.35
415YY-0.16-0.90.74
416VV4.2-3.697.89
417EE1.46-1.813.27
418DD1.9-1.33.2
419TT5.090.294.8
420KK11.852.958.9
421II-0.8-1.861.05
422DD5.36-3.889.24
423LL-2.33-1.16-1.17
424WW2.62-2.665.28
425SS1.17-0.922.09
426YY0.29-1.972.27
427NN2.61-1.343.95
428AA-1.6-3.662.06
429EE1.66-0.892.55
430LL1.59-0.572.16
431LL1.7-1.533.23
432VV5.40.664.74
433AA-1.63-1.760.13
434LL-0.0917.16-17.25
435EE1.240.910.33
436NN-2.71-5.993.28
437QQ13.831.1412.69
438HH-0.621.1-1.72
439TT2.9-1.534.43
440II3.66-1.595.25
441DD-0.65-3.783.13
442LL27.40.3827.02
443TT2.68-0.923.6
444D--2.3--
445-G-2.75-
446SS4.270.513.76
447EE-2.34-2.28-0.06
448MM1.34-1.743.08
449NN4.230.593.64
450KK2.220.741.47
451LL-2.413.92-16.32
452FF-0.32-1.711.39
453EE2.850.472.38
454KK-1.290.41-1.7
455TT1.37-2.794.16
456RR2.7910.27-7.48
457RR4.137.23-3.1
458QQ4.223.780.44
459LL2.86-3.276.13
460RR8.4522.65-14.2
461EE6.1818.42-12.24
462NN1.11-0.421.53
463AA0.54-2.082.63
464EE-2.06-0.34-1.72
465EE1.752.48-0.73
466MM11.2314.37-3.14
467GG0.432.61-2.17
468NN4.09-0.284.37
469GG-1.07-2.451.38
470CC1.691.510.18
471FF-2.71-5.282.57
472KK15.076.598.48
473II8.09-4.9113.0
474YY2.699.93-7.23
475HH-2.291.02-3.31
476KK10.544.486.05
477CC2.71.141.56
478DD1.512.7-1.19
479NN3.42-0.443.86
480AA1.290.121.17
481CC4.271.282.99
482II10.56-3.1113.67
483EE11.1512.16-1.01
484SS2.72-0.643.36
485II3.19-0.733.92
486RR4.474.220.26
487NN302.62459.85-157.24
488GG1.56-0.872.43
489TT3.47-0.393.86
490YY-1.64-2.841.2
491DD-0.77-0.6-0.18
492HH6.742.514.23
493DD13.439.314.12
494VV1.540.860.68
495YY-0.63-1.771.14
496RR3.323.150.17
497DD3.621.232.4
498EE2.71-0.983.69
499AA-1.941.58-3.52
500LL8.068.2-0.14
501NN6.094.321.77
502NN3.076.33-3.26
503RR2.95-3.836.78
504FF3.72-2.245.96
505QQ7.0715.64-8.57
506-I-34.4-
507-K-14.69-
508-G-2.58-
509-X-460.43-
510-Q-4.76-
511-D-4.03-
512-L-7.22-
513-P-4.29-
514-G-2.98-
515-N-4.98-
516-D-6.3-
517-N-9.45-
518SS4.710.953.76
519TT7.849.02-1.18
520AA0.43-1.271.7
521TT-0.35-0.650.3
522LL-2.5534.35-36.9
523CC0.71.06-0.36
524LL9.9-0.8810.78
525GG-2.94-3.440.5
526HH5.7-0.396.09
527HH9.249.44-0.2
528AA-1.4-2.330.94
529VV19.381.9417.44
530PP18.076.2511.81
531NN10.758.961.79
532GG-1.952.37-4.32
533TT0.022.8-2.77
534LL0.85-0.631.48
535VV0.3315.69-15.36
536KK6.222.583.63
537TT2.411.45-9.04
538II6.169.39-3.24
539TT-0.31-0.02-0.29
540DD3.284.03-0.74
541DD3.263.36-0.1
542QQ4.912.142.77
543II3.50.293.21
544EE-2.475.83-8.3
545VV-3.52-3.60.08
546TT0.254.2-3.95
547NN158.11453.52-295.42
548AA1.83-0.862.69
549TT0.89-0.41.3
550EE1.04-2.283.32
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2667XX358.4848.32-489.92
2668XX505.42567.67-62.25
2669XX225.16178.2946.87