Analysis of pair 2namA_1uxmK

2namA vs 1uxmK

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] 2namA vs. 1uxmK (unaligned) — interactive
[missing] 2namA vs. 1uxmK (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--0.170.990.180.990.030.020.49---
000--0.170.980.180.980.030.020.49008; 008; 009; 009; 006; 005; 006; 001; 001; 0030.20; 0.20; 0.19; 0.19; 0.18; 0.18; 0.18; 0.18; 0.18; 0.180.90; 0.90; 0.47; 0.47; 0.78; 0.86; 0.79; 0.98; 0.98; 0.68
001--0.160.990.170.990.020.020.45001; 003; 003; 006; 006; 004; 005; 005; 008; 0040.18; 0.18; 0.18; 0.18; 0.18; 0.17; 0.17; 0.17; 0.17; 0.170.98; 0.81; 0.81; 0.57; 0.57; 0.70; 0.94; 0.94; 0.80; 0.70
002--0.160.860.170.860.00.050.0002; 002; 003; 001; 004; 001; 004; 003; 007; 0070.18; 0.18; 0.17; 0.17; 0.17; 0.17; 0.17; 0.17; 0.16; 0.160.85; 0.85; 0.76; 0.86; 0.82; 0.86; 0.82; 0.76; 0.81; 0.81
003--0.170.390.190.380.040.030.35006; 001; 006; 001; 002; 002; 007; 007; 005; 0050.20; 0.19; 0.19; 0.19; 0.18; 0.18; 0.17; 0.17; 0.17; 0.170.84; 0.79; 0.84; 0.79; 0.85; 0.85; 0.68; 0.68; 0.83; 0.83
004--0.190.90.180.90.010.040.13010; 010; 001; 001; 005; 009; 004; 005; 004; 0090.20; 0.20; 0.19; 0.19; 0.18; 0.18; 0.18; 0.18; 0.18; 0.180.82; 0.82; 0.85; 0.85; 0.86; 0.76; 0.85; 0.86; 0.85; 0.76
005--0.180.820.180.820.00.00.05003; 003; 002; 001; 004; 005; 001; 007; 002; 0090.19; 0.19; 0.17; 0.17; 0.17; 0.17; 0.17; 0.17; 0.17; 0.170.81; 0.81; 0.80; 0.90; 0.76; 0.58; 0.90; 0.35; 0.80; 0.88
006--0.180.90.190.90.00.030.04002; 003; 005; 008; 007; 008; 005; 007; 003; 0090.18; 0.17; 0.17; 0.17; 0.17; 0.17; 0.17; 0.17; 0.17; 0.160.71; 0.63; 0.90; 0.54; 0.75; 0.55; 0.90; 0.75; 0.63; 0.42
007--0.180.820.170.710.00.060.0006; 002; 002; 005; 006; 009; 004; 009; 005; 0010.19; 0.18; 0.18; 0.18; 0.18; 0.17; 0.17; 0.17; 0.17; 0.160.81; 0.83; 0.83; 0.82; 0.81; 0.76; 0.23; 0.76; 0.82; 0.79
008--0.170.990.170.990.040.040.42003; 003; 006; 006; 001; 009; 001; 005; 009; 0020.23; 0.22; 0.18; 0.18; 0.17; 0.17; 0.17; 0.17; 0.17; 0.160.24; 0.24; 0.19; 0.17; 0.99; 0.85; 0.99; 0.63; 0.85; 0.77
009--0.150.810.160.830.010.030.05002; 007; 003; 001; 004; 001; 010; 002; 004; 0100.18; 0.18; 0.17; 0.17; 0.17; 0.17; 0.17; 0.17; 0.17; 0.170.76; 0.75; 0.88; 0.83; 0.88; 0.83; 0.71; 0.76; 0.88; 0.71
010--0.170.790.170.780.010.020.22001; 002; 002; 001; 009; 006; 005; 006; 009; 0040.18; 0.18; 0.18; 0.18; 0.17; 0.17; 0.17; 0.17; 0.17; 0.160.84; 0.81; 0.81; 0.84; 0.84; 0.70; 0.76; 0.70; 0.84; 0.60
011--0.180.910.180.920.00.020.04007; 007; 002; 004; 002; 008; 003; 001; 001; 0080.19; 0.19; 0.18; 0.18; 0.18; 0.18; 0.17; 0.17; 0.17; 0.170.83; 0.83; 0.82; 0.80; 0.82; 0.82; 0.73; 0.89; 0.89; 0.82
012--0.160.840.160.820.010.020.06004; 005; 009; 005; 004; 002; 002; 009; 006; 0010.18; 0.18; 0.18; 0.18; 0.18; 0.17; 0.17; 0.17; 0.17; 0.160.88; 0.81; 0.81; 0.81; 0.88; 0.60; 0.60; 0.81; 0.74; 0.83
013--0.190.970.180.970.00.010.02006; 006; 004; 002; 008; 007; 001; 002; 003; 0040.21; 0.19; 0.18; 0.18; 0.18; 0.18; 0.17; 0.17; 0.17; 0.170.71; 0.71; 0.85; 0.72; 0.46; 0.76; 0.96; 0.72; 0.64; 0.85
014--0.190.910.180.910.010.010.5005; 010; 010; 005; 006; 003; 002; 001; 009; 0020.19; 0.19; 0.19; 0.19; 0.18; 0.17; 0.17; 0.17; 0.17; 0.170.85; 0.85; 0.85; 0.85; 0.82; 0.88; 0.72; 0.90; 0.81; 0.72
015--0.170.80.180.80.010.020.03002; 001; 003; 002; 005; 005; 001; 008; 003; 0040.18; 0.17; 0.17; 0.17; 0.17; 0.17; 0.17; 0.17; 0.17; 0.160.72; 0.74; 0.58; 0.73; 0.77; 0.77; 0.74; 0.71; 0.58; 0.86
016--0.190.950.190.960.030.020.45001; 002; 002; 005; 005; 003; 001; 003; 010; 0100.19; 0.19; 0.19; 0.19; 0.19; 0.19; 0.19; 0.18; 0.18; 0.180.94; 0.93; 0.93; 0.85; 0.85; 0.71; 0.94; 0.71; 0.80; 0.81
017--0.180.960.180.960.00.020.01003; 007; 003; 007; 008; 004; 002; 006; 004; 0060.19; 0.19; 0.19; 0.18; 0.17; 0.17; 0.17; 0.17; 0.17; 0.170.89; 0.76; 0.89; 0.76; 0.50; 0.60; 0.91; 0.86; 0.60; 0.86
018--0.170.990.170.990.050.040.31002; 002; 006; 001; 010; 006; 010; 001; 004; 0040.18; 0.18; 0.17; 0.17; 0.17; 0.17; 0.17; 0.17; 0.16; 0.160.84; 0.84; 0.68; 0.99; 0.66; 0.68; 0.66; 0.99; 0.74; 0.74
019--0.180.980.180.980.020.020.39001; 002; 003; 001; 010; 002; 010; 003; 004; 0090.18; 0.18; 0.18; 0.18; 0.18; 0.18; 0.18; 0.18; 0.16; 0.160.97; 0.90; 0.81; 0.97; 0.90; 0.90; 0.90; 0.81; 0.67; 0.35
020--0.180.950.180.950.010.020.06004; 004; 002; 001; 008; 008; 001; 002; 009; 0090.21; 0.21; 0.17; 0.17; 0.17; 0.17; 0.17; 0.17; 0.17; 0.170.75; 0.75; 0.83; 0.94; 0.73; 0.73; 0.94; 0.83; 0.75; 0.75

Aligned per-residue ΔΔG

aln_posaa1aa2E1E2dEdiff
1-T-20.27-
2-K-9.2-
3-V-8.62-
4-V--0.77-
5-C--1.16-
6-V--1.54-
7-L-0.34-
8-K-3.26-
9-G-0.03-
10-D--0.46-
11-G-1.81-
12-P-0.19-
13-V--3.35-
14-Q-0.35-
15-G--2.4-
16-I--1.77-
17-I--6.12-
18-N--1.26-
19-F-0.56-
20-E--3.16-
21-Q--4.16-
22-K-4.95-
23-E-11.49-
24-S-29.95-
25-N-31.81-
26-G-7.86-
27-P-3.54-
28-V--5.06-
29-K--3.64-
30-V-12.16-
31-W--0.32-
32-G--2.02-
33-S-0.33-
34-I--6.01-
35-K-2.1-
36-G--2.33-
37-L-8.12-
38-T-1.57-
39-E--1.82-
40-G--1.9-
41-L-6.6-
42-H--2.38-
43-G--1.21-
44-F--4.77-
45-H--2.87-
46-V--5.61-
47-H-6.81-
48-E--4.25-
49-F--1.22-
50-G-1.21-
51-D-0.82-
52-N-4.32-
53-T--0.3-
54AA0.660.140.52
55-G--0.09-
56-C-0.51-
57TT18.680.9417.74
58-S--0.27-
59-A--2.3-
60-G-2.41-
61-P-2.92-
62-H-5.43-
63-F--3.05-
64-N--1.03-
65-P--2.17-
66-L-0.5-
67-S-0.11-
68-R-7.81-
69KK6.240.395.84
70-H--2.87-
71-G--0.95-
72-G-1.68-
73-P-8.87-
74-K-9.76-
75-D--1.63-
76-E-8.73-
77-E-0.04-
78-R-30.56-
79-H-27.94-
80-V--2.99-
81-G--1.12-
82-D--8.69-
83-L--4.24-
84-G--1.31-
85-N--2.4-
86-V--3.67-
87-T--0.34-
88AA1.02-3.954.97
89-D--2.65-
90-K-12.98-
91-D--1.2-
92-G--3.11-
93VV6.59-1.598.18
94-A--2.63-
95-D-1.42-
96-V--4.11-
97-S--0.72-
98-I-1.25-
99-E--0.09-
100-D--2.63-
101-S-26.91-
102-V-2.07-
103-I--2.72-
104-S-0.31-
105-L--5.28-
106-S-0.81-
107-G--1.11-
108-D--0.25-
109-H--1.39-
110CC3.840.493.35
111-I--5.59-
112-I--1.44-
113-G--4.73-
114-R--3.41-
115-T-0.19-
116-L--5.4-
117VV8.98-4.012.98
118-V--2.71-
119-H-12.78-
120-E-1.63-
121-K-0.23-
122-A-0.03-
123-D--7.09-
124-D--2.77-
125LL3.66-0.464.12
126-G--2.37-
127KK12.57-0.6413.21
128GG3.810.433.38
129-G--0.81-
130-N-0.17-
131-E-4.04-
132-E--0.24-
133-S--1.09-
134-T-0.18-
135-K-1.87-
136-T-0.63-
137-G--2.51-
138-N--1.21-
139-A--2.1-
140-G--0.77-
141-S-0.18-
142-R--0.37-
143-L--1.2-
144-A--4.61-
145-C--0.88-
146-G--1.31-
147-V--1.72-
148-I--6.91-
149-G--0.95-
150-I--2.74-
151-A--1.76-
152-Q-0.6-
153-X-19.05-
154-X--16.82-
155-A-1.0-
156-T-7.37-
157-K-3.13-
158-V-11.18-
159-V--2.33-
160-C--1.92-
161-V--2.18-
162-L--0.07-
163-K-5.71-
164-G-0.06-
165DD5.486.02-0.55
166GG4.052.691.37
167PP0.7140.81-40.1
168VV1.47-3.855.32
169QQ216.670.52216.15
170GG105.61-2.07107.68
171II899.14-1.03900.17
172II1293.9-5.461299.36
173NN2055.16-1.622056.78
174FF2976.543.612972.93
175EE3969.61-3.983973.59
176QQ2444.98-2.322447.3
177KK3314.623.753310.87
178EE2870.38-0.482870.87
179SS1117.0414.891102.15
180NN620.2318.84601.39
181GG13.234.838.4
182PP189.720.07189.65
183VV1074.89-5.691080.58
184KK15.430.115.32
185VV5.137.09-1.96
186WW810.23-0.58810.81
187GG1109.24-1.941111.19
188SS719.71-1.29721.0
189II28.95-5.8934.83
190KK3281.062.423278.64
191GG1392.69-3.191395.88
192LL2124.38-3.272127.65
193TT17.631.3116.33
194EE1485.16-1.491486.65
195GG235.27-1.99237.27
196LL1536.767.271529.5
197HH767.49-1.23768.72
198GG1.26-1.382.65
199FF248.6-4.66253.27
200HH1826.65-2.791829.44
201VV228.04-5.9233.94
202HH1703.677.861695.81
203EE467.46-4.04471.51
204FF3940.30.293940.01
205GG424.440.89423.55
206DD7.460.786.68
207NN115.374.16111.21
208TT1783.63-1.711785.35
209AA915.82-0.38916.2
210GG503.74-0.53504.26
211CC1977.830.721977.11
212TT2514.981.242513.74
213SS1481.183.221477.96
214AA1441.32-2.021443.34
215GG131.11-0.04131.16
216PP1375.94-1.111377.04
217HH4807.646.674800.97
218FF6472.82-1.396474.21
219NN3179.341.613177.72
220PP4075.98.834067.07
221LL5350.970.775350.19
222SS2856.5510.842845.72
223RR3597.95-1.843599.79
224KK400.0413.35386.69
225HH4180.20.714179.48
226GG469.63-1.55471.18
227GG860.170.07860.1
228PP1281.361.851279.51
229KK2010.86.072004.73
230DD2919.33-0.952920.29
231EE2775.333.982771.36
232EE1121.032.281118.75
233RR1573.2112.471560.74
234HH122.917.64115.27
235VV392.5912.35380.24
236GG1.56-1.272.83
237DD12.98-7.4520.43
238LL52.54-3.6356.17
239GG0.92-1.182.1
240NN39.07-3.0142.08
241VV1458.49-2.491460.98
242TT226.04-0.96227.0
243AA-0.71-3.793.08
244DD81.13-3.2484.37
245KK1152.03.351148.65
246DD1530.56-0.861531.42
247GG3.31-3.717.02
248VV367.09-2.09369.19
249AA835.94-2.35838.29
250DD11.230.0711.16
251VV4.66-3.378.02
252SS3.17-0.463.63
253II384.590.49384.1
254EE4.110.273.84
255DD1.09-2.523.61
256SS-2.30.83-3.13
257VV580.240.78579.45
258II3.58-2.96.48
259SS4.62-0.284.91
260LL517.24-4.37521.61
261SS945.1725.38919.78
262GG1128.8-0.271129.08
263DD1847.310.31847.01
264HH2212.59-0.42212.99
265CC3124.19-0.13124.28
266II3680.91-4.263685.17
267II2785.07-2.722787.79
268GG937.54-5.18942.72
269RR5029.34-5.135034.46
270TT2932.060.72931.37
271LL549.13-4.94554.07
272VV644.79-4.19648.98
273VV1551.88-3.051554.93
274HH2288.119.152278.96
275EE1272.480.491271.99
276KK705.36-1.28706.63
277AA1788.04-0.021788.06
278DD1609.02-7.191616.21
279DD2168.42-1.442169.86
280LL870.32-0.38870.7
281GG781.4-2.29783.69
282KK696.197.63688.56
283GG367.990.35367.64
284GG1830.34-0.61830.94
285NN2607.440.212607.23
286EE1430.011.861428.15
287EE1012.62-0.071012.69
288SS1519.16-0.731519.9
289TT907.06-0.9907.97
290KK1369.721.421368.29
291TT1857.850.561857.29
292GG771.63-1.71773.35
293NN36.06-0.4336.48
294AA246.74-2.35249.09
295GG475.48-0.25475.73
296SS29.9-0.1230.01
297RR105.65-0.6106.26
298LL14.5-0.5115.01
299AA46.26-5.0751.32
300CC1338.5-0.871339.37
301GG892.8-0.7893.49
302VV2372.96-0.622373.57
303II2053.06-7.342060.39
304GG1194.44-1.131195.57
305II232.67-2.5235.17
306AA1.49-1.833.31
307QQ1.571.020.54
308-X-15.67-
309-X--18.73-
310AA770.661.21769.46
311TT2634.6113.012621.6
312KK3218.146.723211.41
313-V-19.95-
314-V--1.94-
315-C--1.67-
316-V--1.81-
317-L--6.43-
318-K-3.58-
319-G--0.25-
320-D-0.87-
321-G-1.07-
322-P--0.39-
323-V--2.82-
324-Q--0.2-
325-G--2.18-
326-I--1.96-
327-I--6.03-
328-N--1.88-
329-F-8.75-
330-E--3.18-
331-Q--3.45-
332-K-5.68-
333-E-8.17-
334-S-13.87-
335-N-2.51-
336-G-0.38-
337-P--2.31-
338-V--5.62-
339-K--0.97-
340-V--5.89-
341-W-0.2-
342-G--2.15-
343-S-4.03-
344-I--6.35-
345-K--0.19-
346-G--2.52-
347-L-8.91-
348-T-1.35-
349-E--2.01-
350-G--2.27-
351-L-1.81-
352-H--2.73-
353-G--1.84-
354-F--4.78-
355-H--3.77-
356-V--5.68-
357-H-8.92-
358-E--3.94-
359-F--0.12-
360-G-0.51-
361-D-0.82-
362-N-4.46-
363-T--1.14-
364AA3225.05-0.223225.26
365-G--0.59-
366-C-0.91-
367-T-1.49-
368-S-1.02-
369-A--1.99-
370-G-0.11-
371-P--2.48-
372-H-5.58-
373-F--3.77-
374-N-0.1-
375-P--1.73-
376-L-0.26-
377-S-0.24-
378-R-12.41-
379-K-0.46-
380-H--2.52-
381-G--0.4-
382-G--1.13-
383-P--3.15-
384-K--0.22-
385-D--0.84-
386-E-8.29-
387-E-0.25-
388-R-12.56-
389-H-8.12-
390VV1881.93-2.741884.68
391-G--0.69-
392-D--9.49-
393-L--3.91-
394-G--1.3-
395-N--2.67-
396-V--3.08-
397-T--1.05-
398-A--3.75-
399-D--3.04-
400-K-9.99-
401-D--1.31-
402-G--3.01-
403-V--2.4-
404-A--1.88-
405-D-1.21-
406-V--4.37-
407-S--0.57-
408-I-1.11-
409-E--0.04-
410-D--2.74-
411-S-1.57-
412-V-2.01-
413-I--3.35-
414-S--0.52-
415-L--2.43-
416-S--0.05-
417-G--1.14-
418-D--0.54-
419-H--1.18-
420CC2643.7-0.242643.95
421-I--4.95-
422-I--2.92-
423-G--4.6-
424-R--4.7-
425-T--0.02-
426-L--6.26-
427VV2752.7-4.832757.53
428-V--3.35-
429-H-11.63-
430-E-0.89-
431-K--1.05-
432-A--0.43-
433-D--6.62-
434-D--1.75-
435LL1030.34-1.011031.35
436-G--1.57-
437KK1163.314.451158.86
438GG283.19-0.03283.23
439-G--0.73-
440-N--0.14-
441-E-3.38-
442-E--0.29-
443-S--0.78-
444-T--0.3-
445-K-6.47-
446-T-0.47-
447-G--2.44-
448-N--0.15-
449-A--2.01-
450-G--0.46-
451-S-0.68-
452-R-1.06-
453-L-0.88-
454-A--5.08-
455-C-0.57-
456-G--1.22-
457-V--1.67-
458-I--6.26-
459-G--0.93-
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1782-V--3.05-
1783-T-2.02-
1784-A--2.82-
1785-D--1.44-
1786-K-1.35-
1787-D--0.58-
1788-G--4.09-
1789-V--0.32-
1790-A--2.02-
1791-D-2.42-
1792-V--4.74-
1793-S--0.45-
1794-I-1.1-
1795-E-3.18-
1796-D--0.53-
1797-S-0.8-
1798-V-2.67-
1799-I--0.04-
1800-S-0.02-
1801-L--2.0-
1802-S-14.14-
1803-G--0.27-
1804-D-9.15-
1805-H-2.14-
1806-C-1.01-
1807-I--4.24-
1808-I-7.08-
1809-G--3.23-
1810-R--4.66-
1811-T-1.48-
1812-L--2.82-
1813-V--2.99-
1814-V--2.68-
1815-H-9.38-
1816-E-1.96-
1817-K-3.66-
1818-A-1.25-
1819-D--6.85-
1820-D--2.37-
1821-L--0.13-
1822-G--1.87-
1823-K-7.67-
1824-G--0.05-
1825-G--0.37-
1826-N-0.96-
1827-E-0.43-
1828-E--0.86-
1829-S--0.44-
1830-T--0.7-
1831-K--0.15-
1832-T-1.07-
1833-G--1.55-
1834-N--1.03-
1835-A--0.84-
1836-G-0.66-
1837-S-7.91-
1838-R-1.9-
1839-L--0.8-
1840-A--4.95-
1841-C--1.32-
1842-G--1.16-
1843-V--0.8-
1844-I--4.52-
1845-G-0.28-
1846-I-0.51-
1847-A--1.26-
1848-Q-0.3-
1849-X-28.42-
1850-X-13.32-