Analysis of pair 3j7vG_3j7wB

3j7vG vs 3j7wB

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] 3j7vG vs. 3j7wB (unaligned) — interactive
[missing] 3j7vG vs. 3j7wB (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--0.860.790.860.790.240.250.26---
000--0.730.610.720.620.020.030.02008; 008; 005; 005; 004; 004; 001; 003; 001; 0030.80; 0.80; 0.79; 0.79; 0.78; 0.78; 0.77; 0.77; 0.77; 0.770.68; 0.68; 0.70; 0.70; 0.68; 0.68; 0.68; 0.65; 0.68; 0.65
001--0.370.250.360.240.00.00.0004; 004; 006; 006; 007; 007; 008; 008; 001; 0010.47; 0.47; 0.44; 0.44; 0.40; 0.40; 0.37; 0.37; 0.36; 0.360.46; 0.46; 0.36; 0.36; 0.32; 0.32; 0.30; 0.30; 0.27; 0.27
002--0.620.520.620.510.050.050.03001; 001; 007; 007; 003; 003; 004; 004; 005; 0050.60; 0.60; 0.57; 0.57; 0.55; 0.55; 0.53; 0.53; 0.53; 0.530.52; 0.52; 0.45; 0.45; 0.46; 0.46; 0.52; 0.52; 0.51; 0.51
003--0.620.520.620.510.00.00.01001; 001; 007; 007; 003; 003; 004; 004; 005; 0050.60; 0.60; 0.57; 0.57; 0.55; 0.55; 0.53; 0.53; 0.53; 0.530.52; 0.52; 0.45; 0.45; 0.46; 0.46; 0.52; 0.52; 0.51; 0.51
004--0.860.70.860.720.00.00.0001; 001; 005; 005; 006; 009; 006; 009; 004; 0040.84; 0.84; 0.83; 0.83; 0.79; 0.79; 0.79; 0.79; 0.78; 0.780.75; 0.75; 0.70; 0.70; 0.68; 0.69; 0.68; 0.69; 0.68; 0.68
005--0.690.560.680.58---004; 006; 009; 006; 009; 004; 002; 002; 008; 0080.78; 0.78; 0.78; 0.78; 0.78; 0.78; 0.77; 0.77; 0.76; 0.760.65; 0.68; 0.70; 0.68; 0.70; 0.65; 0.68; 0.68; 0.68; 0.68

Aligned per-residue ΔΔG

aln_posaa1aa2E1E2dEdiff
1-A-1.43-
2-S-20.65-
3-M-14.4-
4-T-3.45-
5-G-2.84-
6-G-8.8-
7-Q-12.17-
8-Q-12.96-
9-M-16.52-
10-G-4.8-
11-T-6.6-
12-N-7.39-
13-Q-20.95-
14-G-2.51-
15-K-5.38-
16-G-1.37-
17-V-7.63-
18-V-14.58-
19-A-10.98-
20-A-5.46-
21-G-2.78-
22DD10.888.512.37
23KK21.3924.43-3.04
24LL13.0520.17-7.12
25AA50.143.4546.69
26LL73.5113.3560.16
27FF60.812.4458.37
28LL82.5714.8367.74
29KK9.9210.89-0.97
30VV8.991.437.56
31FF9.3210.93-1.61
32GG2.413.94-1.54
33GG1.552.85-1.31
34EE10.8810.630.24
35VV57.414.8142.59
36LL4.089.54-5.46
37TT3.8925.18-21.29
38AA16.530.2516.28
39FF2.90.162.74
40AA9.310.029.28
41RR16.092.9913.11
42TT2.531.80.73
43SS8.692.346.35
44VV7.811.41-3.61
45TT6.9921.17-14.18
46TT10.497.213.29
47SS4.588.95-4.37
48RR13.4128.82-15.41
49HH14.9821.94-6.97
50MM10.0837.29-27.21
51VV4.3514.27-9.92
52RR17.293.913.39
53SS2.83-0.343.17
54II39.117.4131.7
55SS1.661.170.49
56SS13.797.046.75
57GG3.74.8-1.1
58KK5.1710.48-5.31
59SS-0.461.12-1.58
60AA-0.52.66-3.16
61QQ8.1713.21-5.04
62FF13.19.63.5
63PP9.2614.46-5.21
64VV2.763.22-0.46
65LL29.73.326.4
66GG5.530.564.96
67RR8.0918.0-9.9
68TT10.1428.85-18.71
69QQ12.9917.15-4.16
70AA2.13.86-1.75
71AA3.096.22-3.12
72YY11.3611.080.28
73LL1.639.36-7.72
74AA4.3315.33-11.0
75PP-0.334.32-34.62
76GG4.26.77-2.58
77EE22.367.5714.8
78NN10.148.241.9
79LL5.9813.63-7.65
80DD3.073.94-0.88
81DD26.655.3821.27
82KK3.448.75-5.31
83RR20.9212.788.13
84KK1.86.32-4.53
85DD6.64.611.99
86II6.1731.3-25.14
87KK12.295.46.89
88HH10.748.821.92
89TT4.940.464.48
90EE-0.010.63-0.64
91KK9.8411.73-1.88
92VV7.54.942.57
93II1.236.7-5.48
94TT3.771.981.79
95II3.061.11.96
96DD4.687.05-2.37
97GG0.13-0.590.73
98LL4.168.29-4.13
99LL8.89.95-1.15
100TT31.73-0.5132.24
101AA8.39-1.179.56
102DD4.937.48-2.54
103VV4.198.81-4.62
104LL22.9736.3-13.33
105II41.48.4732.93
106YY61.036.3654.67
107DD32.283.229.08
108II38.188.929.28
109EE43.19.9433.16
110DD26.053.3122.74
111AA215.270.55214.72
112MM480.1826.09454.1
113NN103.0911.4591.63
114HH743.9915.26728.73
115YY5.3812.03-6.66
116DD4.7112.77-8.06
117VV44.6621.7922.87
118RR90.536.9683.57
119SS0.1610.32-10.16
120EE-0.647.04-7.68
121YY12.70.112.6
122TT36.616.4620.14
123SS10.310.1310.18
124QQ8.5311.79-3.26
125LL9.741.87.94
126GG0.370.63-0.26
127EE9.89-1.6811.57
128SS8.840.498.35
129LL3.033.76-0.72
130AA-0.950.08-1.04
131MM10.335.125.2
132AA0.94-0.591.53
133AA-0.152.33-2.48
134DD10.576.24.37
135GG3.720.243.48
136AA1.22-1.522.74
137VV9.917.372.54
138LL12.285.217.07
139AA0.275.83-5.56
140EE17.935.1612.77
141II6.8843.03-36.15
142AA0.030.78-0.76
143GG0.790.320.47
144LL13.179.144.02
145CC6.4516.63-10.19
146NN17.082.5814.49
147VV4.373.760.61
148EE2.9321.46-18.53
149-S-4.13-
150-K-18.31-
151-Y-16.25-
152-N-10.61-
153-E-6.22-
154-N-1.62-
155-I-7.8-
156-E-5.82-
157GG5.724.091.63
158-L-339.48-
159-G-4.44-
160TT8.076.451.62
161AA4.681.253.43
162TT34.7521.4613.28
163VV14.695.019.68
164II6.718.39-1.68
165EE7.5722.85-15.27
166TT17.6920.61-2.91
167TT11.8440.73-28.89
168QQ23.234.81-11.61
169NN5.1822.57-17.39
170KK23.6925.18-1.49
171AA3.630.892.73
172AA3.831.682.15
173LL16.9933.84-16.84
174TT3.2616.19-12.93
175DD5.997.52-1.53
176QQ12.5118.77-6.25
177VV12.756.286.47
178AA6.3-0.136.43
179LL10.014.6-4.59
180GG1.852.49-0.65
181KK5.314.80.52
182EE17.323.513.82
183II2.851.761.09
184II12.240.8111.43
185AA-0.43-0.830.41
186AA-0.0-2.912.91
187LL9.335.493.84
188TT4.691.673.03
189KK11.344.277.07
190AA-0.1-2.892.8
191RR6.3410.78-4.45
192AA1.262.26-1.0
193AA2.06-0.362.41
194LL11.029.621.4
195TT2.476.82-4.35
196KK10.2111.85-1.64
197NN3.312.4-9.09
198YY11.9710.811.16
199VV22.9315.797.14
200PP12.9133.62-20.71
201AA2.443.14-0.7
202AA2.03.44-1.45
203DD5.3838.91-33.53
204RR101.753.6398.12
205VV12.998.074.92
206FF162.53-0.19162.72
207YY52.7-1.8454.53
208CC108.837.84100.98
209DD18.099.528.57
210PP14.675.88.87
211DD12.573.579.0
212SS1.26.46-5.26
213YY7.627.63-0.01
214SS8.264.493.76
215AA5.27-1.526.79
216II18.09.18.9
217LL18.554.2514.3
218AA4.240.993.25
219AA0.34.69-4.39
220LL2.8723.24-20.37
221MM11.0437.13-26.09
222PP5.3616.71-11.34
223NN4.2613.8-9.55
224AA3.327.6-4.28
225AA3.582.261.32
226NN8.057.120.93
227YY2.8417.26-14.42
228AA1.921.760.16
229AA0.273.98-3.72
230LL3.9918.46-14.47
231II22.4713.49.07
232DD13.673.829.85
233PP0.991.68-0.69
234EE8.6911.77-3.09
235KK38.9518.5120.44
236GG2.493.35-0.87
237SS8.760.578.2
238II1.9623.66-21.7
239RR19.5813.366.22
240NN8.6810.78-2.1
241VV5.1613.9-8.74
242MM10.6313.6-2.97
243GG2.397.3-4.91
244FF23.636.6916.94
245EE10.412.278.14
246VV21.9111.6410.27
247VV1.57-0.011.58
248EE11.1915.56-4.37
249VV11.916.89-4.99
250PP12.933.499.44
251HH17.0412.614.42
252LL22.8635.86-13.0
253TT4.6426.09-21.45
254AA1.6114.72-13.11
255GG0.910.790.11
256GG2.432.410.02
257AA23.473.0520.42
258-G-4.55-
259-T-29.17-
260-A-9.27-
261-R-17.44-
262-E-7.17-
263-G-3.91-
264-T-23.02-
265-T-10.23-
266-G-8.05-
267-Q-5.19-
268-K-8.22-
269HH11.312.358.97
270VV10.522.188.34
271FF18.8915.863.04
272PP5.755.78-0.03
273AA13.290.7812.5
274NN6.277.32-1.04
275KK11.1812.07-0.9
276GG4.627.26-2.64
277EE12.0117.08-5.07
278GG6.375.940.43
279NN19.875.1914.68
280VV7.424.96-17.56
281KK9.638.541.09
282VV20.089.4610.62
283AA7.14-0.918.04
284KK29.3116.5312.78
285DD14.648.556.09
286NN89.369.0980.26
287VV86.399.6976.7
288II135.9738.0197.95
289GG49.931.0448.89
290LL12.77-0.4813.25
291FF0.491.88-1.39
292MM112.999.25103.74
293HH38.3210.4527.87
294RR27.0934.45-7.36
295SS7.312.09-4.79
296AA8.461.576.89
297VV17.4122.26-4.85
298GG2.122.58-0.47
299TT19.748.4211.32
300VV43.81-2.3746.18
301KK113.765.01108.75
302LL17.2411.086.17
303RR8.417.3-8.9
304DD9.64.794.81
305LL12.5820.97-8.39
306AA1.42-0.331.75
307LL72.410.5661.84
308EE393.911.74392.18
309RR22.229.5712.65
310AA7.152.84.35
311RR5.9512.92-6.97
312RR7.7626.75-18.99
313AA2.891.481.4
314NN16.595.411.19
315FF17.54.5812.93
316QQ13.8213.60.22
317AA4.53-1.476.0
318DD10.355.095.26
319QQ3.7814.79-11.02
320II2.72-0.453.16
321II429.664.6425.06
322AA34.63-1.1935.82
323KK5.999.17-3.18
324YY28.811.0417.76
325AA3.86-0.954.81
326MM137.235.8131.43
327GG17.510.6716.84
328HH12.090.7211.37
329GG2.921.441.48
330GG2.134.25-2.12
331LL32.5429.92.64
332RR10.0215.43-205.43
333PP7.3525.14-17.79
334EE7.98295.62-287.65
335AA5.45-0.035.48
336AA39.81-1.4641.26
337GG3.44-1.144.58
338AA-0.24-1.421.17
339VV121.795.83115.96
340VV32.487.9224.56
341FF7.889.31-1.43
342KK10.6216.09-5.46
343-V-14.12-
344-A-1.73-
345-S-5.03-
346-M-12.6-
347-T-3.73-
348-G-2.78-
349-G-4.18-
350-Q-6.58-
351-Q-4.89-
352-M-18.72-
353-G-1.51-
354-T-8.15-
355-N-10.01-
356-Q-18.11-
357-G-1.98-
358-K-7.2-
359-G-1.23-
360-V-6.41-
361-V-12.33-
362-A-2.99-
363-A-1.36-
364-G-3.31-
365DD5.2131.28-26.07
366KK63.423.5359.9
367LL54.4814.340.17
368AA9.839.410.42
369LL39.063.0935.96
370FF160.629.93150.69
371LL57.6210.1847.44
372KK30.6511.9518.71
373VV59.844.6155.23
374FF10.26.583.61
375GG0.871.52-0.64
376GG1.21-0.241.44
377EE79.694.175.59
378VV1.596.53-4.94
379LL10.2817.03-6.75
380TT4.7315.95-11.22
381AA1.870.181.69
382FF479.4451.36428.08
383AA0.580.92-0.34
384RR4.184.74-0.56
385TT4.4810.63-6.16
386SS5.314.271.05
387VV12.5445.22-32.68
388TT12.1368.7-56.57
389TT8.0825.27-17.19
390SS9.496.163.34
391RR7.7811.48-3.71
392HH14.0111.682.34
393MM11.1529.16-18.02
394VV8.693.954.74
395RR12.8630.31-17.45
396SS3.524.88-1.36
397II9.512.06-2.56
398SS5.143.81.34
399SS6.864.282.57
400GG7.312.075.24
401KK28.5325.523.02
402SS14.018.335.67
403AA-0.390.25-0.64
404QQ9.967.012.95
405FF20.897.9112.98
406PP0.62.88-2.28
407VV9.8429.23-19.39
408LL17.533.8713.66
409GG8.67-0.248.91
410RR27.2112.0415.17
411TT37.821.716.09
412QQ56.8317.6839.14
413AA16.130.5815.55
414AA-0.110.63-0.74
415YY6.7418.17-11.43
416LL7.19105.12-97.93
417AA1.465.25-3.79
418PP-0.54-0.29-0.25
419GG3.03-0.153.18
420EE5.5915.06-9.47
421NN5.256.61-1.36
422LL21.2391.88-70.65
423DD16.339.197.14
424DD4.9710.61-5.64
425KK14.767.057.71
426RR20.8418.582.26
427KK8.5614.91-6.35
428DD3.1312.03-8.9
429II9.123.88-14.78
430KK4.4314.63-10.2
431HH16.747.689.06
432TT24.14.3319.77
433EE4.4810.73-6.25
434KK43.5518.4725.08
435VV11.768.593.17
436II8.757.71.05
437TT10.194.855.34
438II17.388.698.69
439DD5.568.03-2.47
440GG-0.334.44-4.77
441LL2.577.01-4.44
442LL10.34.995.31
443TT11.881.810.09
444AA2.323.86-1.53
445DD2.857.68-4.84
446VV17.859.078.78
447LL17.110.486.62
448II43.1222.6620.46
449YY29.549.1820.37
450DD37.933.6734.25
451II67.714.7662.95
452EE71.4424.5746.87
453DD78.661.9876.67
454AA127.142.95124.19
455MM190.717.62173.08
456NN95.5155.2640.25
457HH226.3342.7183.63
458YY11.0431.34-20.29
459DD137.6310.12127.51
460VV20.9115.565.35
461RR27.5714.8512.72
462SS5.25.66-0.46
463EE15.885.7110.17
464YY15.723.8511.87
465TT42.252.5339.72
466SS23.051.5521.5
467QQ419.580.83418.75
468LL6.534.841.68
469GG-0.240.1-0.34
470EE40.187.8732.31
471SS10.920.8710.05
472LL511.092.56508.52
473AA28.78-0.128.88
474MM119.737.76111.97
475AA-1.28-0.6-0.68
476AA6.990.86.19
477DD69.737.5162.22
478GG-0.030.16-0.19
479AA-1.128.98-10.1
480VV53.85-0.3954.24
481LL60.729.8450.87
482AA-0.2-2.222.02
483EE119.95-0.6120.55
484II109.1720.7988.37
485AA-0.65-0.680.02
486GG-0.081.04-1.12
487LL157.956.48151.47
488CC19.017.4611.56
489NN7.041.925.12
490VV6.376.150.23
491EE13.9539.85-25.91
492SS0.9122.54-21.63
493KK15.2121.21-6.0
494YY4.576.48-1.91
495NN7.5310.27-2.74
496EE6.138.82-2.69
497NN13.0911.891.2
498II8.9919.56-10.57
499EE6.0128.38-22.37
500GG1.49.77-8.37
501LL7.0523.15-16.1
502GG4.921.873.04
503TT10.444.266.18
504AA10.252.28.05
505TT16.412.7413.66
506VV8.583.225.36
507II6.3811.83-5.45
508EE30.521.389.12
509TT13.8824.29-10.4
510TT16.5725.55-8.98
511QQ4.7713.09-8.32
512NN1.979.32-7.35
513KK14.25.478.73
514AA4.621.163.46
515AA0.431.18-0.75
516LL25.0216.478.55
517TT6.226.58-0.36
518DD8.699.42-0.73
519QQ6.61.065.54
520VV6.2223.42-17.2
521AA10.010.229.79
522LL3.118.37-5.27
523GG7.981.566.42
524KK7.1613.23-6.07
525EE3.52.850.64
526II9.31-0.189.5
527II3.092.980.11
528AA-0.26-1.591.33
529AA1.68-2.374.05
530LL9.522.057.47
531TT3.111.311.8
532KK4.783.441.34
533AA0.33-2.913.25
534RR38.4814.3824.1
535AA0.23-0.280.51
536AA-0.46-0.17-0.29
537LL11.7620.59-8.83
538TT4.296.39-2.1
539KK13.0415.86-2.81
540NN3.347.46-4.13
541YY14.5618.89-4.32
542VV36.531.185.32
543PP9.569.080.47
544AA4.075.86-1.79
545AA6.1311.36-5.23
546DD2.997.72-4.73
547RR29.1442.95-13.81
548VV17.2440.81-23.57
549FF9.06.722.29
550YY6.62-2.789.39
551CC8.414.344.07
552DD17.815.342.46
553PP4.88-1.36.18
554DD11.789.552.22
555SS5.415.210.2
556YY14.270.9913.27
557SS2.2713.39-11.12
558AA-0.56-2.171.61
559II13.896.247.65
560LL3.852.151.7
561AA-0.78-0.14-0.65
562AA0.391.12-0.73
563LL2.54.54-2.04
564MM27.3876.77-49.39
565PP0.5323.63-23.1
566NN13.4816.68-3.2
567AA5.753.342.41
568AA6.656.71-0.06
569NN10.748.152.59
570YY5.77.87-2.16
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1973-G-14.04-
1974-T-28.5-
1975-A-9.03-
1976-R-15.95-
1977-E-32.4-
1978-G-2.37-
1979-T-15.03-
1980-T-8.99-
1981-G-7.42-
1982-Q-10.35-
1983-K-3.31-
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2001NN5.149.58-4.44
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2003II7.8417.3-9.45
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