Analysis of pair 5f5rB_5f3kA

5f5rB vs 5f3kA

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] 5f5rB vs. 5f3kA (unaligned) — interactive
[missing] 5f5rB vs. 5f3kA (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--0.930.80.920.80.030.030.03---
000--0.90.780.820.770.00.00.0001; 001; 004; 004; 003; 003; 009; 009; 002; 0100.83; 0.83; 0.78; 0.77; 0.73; 0.73; 0.65; 0.65; 0.64; 0.640.76; 0.76; 0.75; 0.75; 0.73; 0.73; 0.66; 0.66; 0.74; 0.71
001--0.590.70.630.680.00.00.01003; 008; 003; 008; 001; 001; 007; 007; 002; 0020.72; 0.72; 0.72; 0.72; 0.70; 0.70; 0.68; 0.68; 0.58; 0.580.72; 0.74; 0.72; 0.74; 0.74; 0.74; 0.69; 0.69; 0.61; 0.61
002--0.820.770.820.770.010.010.01001; 001; 004; 004; 005; 005; 007; 007; 010; 0030.86; 0.86; 0.73; 0.73; 0.70; 0.70; 0.69; 0.69; 0.65; 0.650.77; 0.77; 0.73; 0.73; 0.70; 0.70; 0.69; 0.69; 0.70; 0.70
003--0.670.80.680.770.060.060.05001; 003; 003; 001; 004; 004; 006; 006; 005; 0050.79; 0.79; 0.79; 0.79; 0.78; 0.78; 0.66; 0.66; 0.51; 0.510.78; 0.77; 0.77; 0.78; 0.77; 0.77; 0.71; 0.71; 0.58; 0.58
004--0.780.770.70.780.00.00.0001; 004; 004; 001; 002; 002; 007; 007; 009; 0090.81; 0.81; 0.81; 0.81; 0.67; 0.67; 0.66; 0.66; 0.45; 0.450.77; 0.78; 0.78; 0.77; 0.70; 0.70; 0.67; 0.67; 0.48; 0.48
005--0.660.740.720.730.00.00.0001; 001; 003; 003; 010; 010; 004; 004; 005; 0050.77; 0.77; 0.76; 0.76; 0.75; 0.75; 0.74; 0.74; 0.58; 0.580.73; 0.73; 0.74; 0.74; 0.73; 0.73; 0.74; 0.74; 0.58; 0.58
006--0.770.740.770.730.010.010.02001; 001; 004; 004; 002; 002; 008; 008; 003; 0030.82; 0.82; 0.79; 0.78; 0.77; 0.77; 0.70; 0.70; 0.61; 0.610.74; 0.74; 0.75; 0.75; 0.74; 0.74; 0.76; 0.76; 0.60; 0.60
007--0.720.770.70.790.00.00.0004; 004; 001; 001; 003; 003; 007; 007; 005; 0050.76; 0.76; 0.74; 0.74; 0.73; 0.73; 0.67; 0.67; 0.60; 0.600.73; 0.73; 0.75; 0.75; 0.74; 0.74; 0.70; 0.70; 0.66; 0.66
008--0.810.750.770.740.010.010.01001; 001; 003; 003; 002; 002; 006; 006; 005; 0050.81; 0.81; 0.77; 0.77; 0.70; 0.70; 0.64; 0.64; 0.63; 0.620.74; 0.74; 0.73; 0.73; 0.75; 0.75; 0.69; 0.69; 0.66; 0.66
009--0.840.740.830.740.00.010.0001; 001; 007; 007; 004; 004; 009; 009; 006; 0060.75; 0.75; 0.73; 0.73; 0.70; 0.70; 0.67; 0.67; 0.57; 0.570.74; 0.74; 0.74; 0.74; 0.69; 0.69; 0.67; 0.67; 0.60; 0.60
010--0.830.760.810.770.00.00.01001; 001; 003; 003; 004; 004; 002; 002; 009; 0090.82; 0.82; 0.78; 0.78; 0.73; 0.73; 0.65; 0.65; 0.63; 0.630.75; 0.75; 0.76; 0.76; 0.74; 0.74; 0.66; 0.66; 0.69; 0.69
011--0.80.730.790.730.00.00.01001; 001; 005; 005; 002; 002; 007; 007; 006; 0060.79; 0.79; 0.75; 0.75; 0.74; 0.74; 0.64; 0.64; 0.62; 0.620.72; 0.72; 0.76; 0.76; 0.75; 0.75; 0.64; 0.64; 0.70; 0.70
012--0.930.790.90.790.020.020.02001; 001; 003; 003; 006; 006; 009; 009; 002; 0020.86; 0.86; 0.70; 0.70; 0.65; 0.65; 0.61; 0.61; 0.55; 0.530.79; 0.79; 0.75; 0.75; 0.72; 0.72; 0.65; 0.65; 0.60; 0.58
013--0.740.730.680.720.030.020.02001; 001; 002; 002; 004; 004; 003; 003; 009; 0090.80; 0.80; 0.78; 0.78; 0.76; 0.76; 0.73; 0.73; 0.68; 0.680.75; 0.75; 0.77; 0.77; 0.74; 0.74; 0.74; 0.74; 0.71; 0.71
014--0.790.750.70.740.050.040.04001; 003; 003; 001; 004; 004; 010; 010; 008; 0080.81; 0.81; 0.81; 0.81; 0.73; 0.73; 0.66; 0.66; 0.64; 0.640.75; 0.75; 0.75; 0.75; 0.74; 0.74; 0.68; 0.68; 0.68; 0.68
015--0.80.710.780.710.010.00.0001; 001; 004; 004; 005; 005; 010; 010; 002; 0020.81; 0.81; 0.77; 0.77; 0.75; 0.75; 0.71; 0.70; 0.45; 0.450.73; 0.73; 0.77; 0.77; 0.75; 0.75; 0.73; 0.73; 0.42; 0.42
016--0.690.720.70.720.00.00.0001; 001; 003; 002; 008; 008; 002; 003; 009; 0090.80; 0.80; 0.77; 0.77; 0.77; 0.77; 0.77; 0.77; 0.69; 0.690.78; 0.78; 0.73; 0.76; 0.73; 0.73; 0.76; 0.73; 0.72; 0.72
017--0.830.760.830.760.00.00.01002; 007; 002; 007; 001; 001; 006; 006; 003; 0030.85; 0.85; 0.85; 0.85; 0.81; 0.81; 0.80; 0.80; 0.53; 0.530.74; 0.77; 0.74; 0.77; 0.77; 0.77; 0.77; 0.77; 0.55; 0.55
018--0.830.770.830.770.00.00.01001; 001; 005; 005; 004; 004; 002; 002; 008; 0080.85; 0.85; 0.79; 0.79; 0.77; 0.77; 0.70; 0.70; 0.62; 0.620.76; 0.76; 0.76; 0.76; 0.76; 0.76; 0.73; 0.73; 0.68; 0.68

Aligned per-residue ΔΔG

aln_posaa1aa2E1E2dEdiff
1P-0.98--
2L--0.09--
3H-8.08--
4S-7.54--
5I-0.33--
6I--1.2--
7S--0.05--
8S-2.24--
9T-1.79--
10E-1.54--
11S-2.97--
12V--0.64--
13QQ7.325.851.47
14GG1.251.180.08
15SS0.455.02-4.57
16TT1.85-0.292.15
17SS1.72-1.823.54
18KK1.13-0.92.03
19HH-2.360.62-2.97
20EE15.460.7814.68
21FF4.9-4.058.95
22QQ16.880.1616.71
23AA0.65-0.340.99
24EE-0.63-3.012.38
25TT-1.37-1.610.25
26KK10.04-0.1710.21
27KK0.890.430.47
28LL-3.81-3.48-0.33
29LL-2.81-2.34-0.47
30DD1.872.1-0.23
31II-0.99.27-10.18
32VV-2.49-3.751.27
33AA-0.34-3.463.12
34RR1.145.14-4.0
35SS0.380.7-0.32
36LL2.48-3.345.82
37YY-1.88-0.86-1.02
38SS0.47-0.811.28
39EE5.231.234.0
40KK0.16-0.480.63
41EE-3.41-2.91-0.5
42VV1.351.050.3
43FF-3.22-4.261.03
44II-4.39-4.16-0.23
45RR1.080.820.26
46EE-0.12-1.451.33
47LL-1.94-2.570.63
48II-4.9-4.65-0.25
49SS-0.040.01-0.06
50NN-1.430.19-1.61
51AA-2.22-1.52-0.7
52SS-0.860.23-1.09
53DD-0.87-1.040.18
54AA-3.63-3.47-0.16
55LL-5.31-5.910.59
56EE-1.47-2.991.52
57KK-0.57-0.580.0
58LL-2.54-3.250.71
59RR4.61-3.438.05
60HH1.070.560.52
61KK4.255.93-1.68
62LL0.9-4.315.21
63VV14.680.3614.33
64SS14.121.2612.86
65DD3.850.463.39
66GG8.48-1.399.86
67QQ17.0-0.7717.77
68AA4.080.433.65
69LL-1.36-0.77-0.59
70PP-4.39-2.71-1.68
71EE6.895.541.35
72MM1.749.21-7.47
73EE2.13-0.262.39
74II-6.67-7.460.79
75HH-3.76-1.4-2.36
76LL-4.77-4.65-0.12
77QQ-0.953.53-4.48
78TT-3.76-3.35-0.4
79NN-0.51-0.810.3
80AA1.210.820.39
81EE3.453.370.08
82KK6.676.00.67
83GG-2.06-1.7-0.36
84TT-0.86-1.310.45
85II-2.96-3.350.39
86TT-2.49-1.08-1.41
87II-2.793.2-6.0
88QQ-3.06-0.64-2.41
89DD-3.03-1.47-1.55
90TT0.471.69-1.23
91GG-1.40.82-2.22
92II2.772.70.07
93GG-1.9-1.970.07
94MM-0.44-0.41-0.02
95TT-0.58-1.390.8
96QQ0.17-0.280.44
97EE0.946.75-5.81
98EE-2.29-3.140.85
99LL-4.52-2.92-1.6
100VV-1.29-0.6-0.7
101SS0.621.61-0.99
102NN1.241.060.18
103LL-4.16-4.560.4
104GG0.97-0.41.37
105TT5.840.934.92
106II10.11-2.0812.19
107AA2.29-2.234.52
108RR17.831.3916.44
109SS0.41-1.311.72
110GG0.330.63-0.3
111SS0.321.1-0.77
112KK0.887.04-6.16
113AA-1.91-2.840.92
114FF-4.52-1.2-3.33
115LL-3.58-2.26-1.32
116DD-0.123.13-3.25
117AA-0.7-0.12-0.59
118LL-1.01-3.042.03
119Q-5.92--
120N-1.16--
121QQ24.0618.185.88
122A-14.26--
123E-5.8--
124A-1.21--
125S--0.9--
126S-4.8--
127K-13.17--
128II5.6514.1-8.45
129II-4.079.14-13.21
130GG1.36-0.872.23
131QQ1.662.57-0.91
132FF-1.71-1.46-0.25
133GG-0.81-0.72-0.1
134VV-1.06-0.14-0.92
135GG0.461.38-0.92
136FF-1.17-1.850.68
137YY-2.45-0.28-2.18
138SS-1.570.43-2.0
139AA-3.69-2.82-0.87
140FF-1.4-2.310.91
141MM-1.51-3.191.68
142VV-5.16-4.4-0.76
143AA2.752.020.73
144DD1.19-0.351.54
145RR1.03-2.23.23
146VV-4.63-4.670.04
147EE-3.93-4.670.74
148VV-0.88-5.844.96
149YY-5.43-4.83-0.6
150SS-0.99-1.120.13
151RR0.43-0.761.18
152SS-0.84-0.44-0.4
153AA-0.78-1.250.47
154AA2.788.62-5.84
155PP1.158.3-7.15
156GG0.29-1.531.83
157SS0.03-0.380.42
158LL-0.47-0.880.41
159GG-1.19-1.480.28
160YY-4.24-3.11-1.13
161QQ-1.15-0.91-0.24
162WW-2.26-3.571.32
163LL-1.170.29-1.46
164SS-2.73-1.4-1.33
165DD1.910.491.42
166GG-2.931.8-4.73
167SS7.07-0.057.12
168GG2.962.870.09
169VV1.511.74-0.23
170FF-5.312.48-7.8
171EE-2.750.58-3.32
172II-2.611.17-3.78
173AA-3.15-0.72-2.43
174EE-3.19-1.04-2.14
175AA-2.84-0.39-2.45
176SS5.344.131.21
177GG0.045.08-5.03
178VV-1.88-2.891.01
179RR1.133.98-2.85
180TT0.280.210.06
181GG-2.84-2.51-0.33
182TT1.110.40.71
183KK-1.250.13-1.38
184II-5.06-3.34-1.72
185II-3.06-2.61-0.46
186II6.37-3.69.97
187HH-2.12-0.19-1.93
188LL-3.91-3.78-0.14
189KK-0.350.15-0.5
190SS2.931.651.28
191DD4.79-2.997.78
192CC2.31-0.012.31
193KK10.190.949.25
194EE3.141.151.99
195FF-3.26-2.85-0.42
196SS-1.23-2.170.94
197SS0.830.190.63
198EE-1.86-0.56-1.3
199AA1.152.97-1.82
200RR0.444.26-3.83
201VV-4.5710.17-14.74
202RR8.335.462.87
203DD-0.166.56-6.72
204VV-0.75-1.81.06
205VV-1.9428.99-30.93
206TT2.41.021.38
207KK7.526.880.64
208YY-3.33-0.53-2.8
209SS0.57-1.051.62
210NN1.232.04-0.81
211FF1.450.351.1
212VV1.69-0.382.07
213SS-0.68-0.3-0.38
214FF-3.33-2.02-1.31
215PP-4.24-4.490.25
216LL-6.02-5.95-0.07
217YY-4.77-5.130.35
218LL-4.0-4.410.41
219NN-2.72-2.940.23
220GG-1.77-1.880.1
221RR0.283.06-2.77
222RR-0.932.87-3.8
223MM7.530.926.61
224NN0.511.96-1.45
225T-6.93--
226X--0.88--
227X--14.75--
228P-8.28--
229L-3.55--
230H-5.6--
231S-4.32--
232I-0.19--
233I--0.13--
234S--0.16--
235S-1.7--
236TT2.374.21-1.84
237E-0.4--
238S-0.67--
239V--1.1--
240QQ1.9815.38-13.4
241GG4.351.273.07
242SS0.774.44-3.67
243TT2.090.092.0
244SS2.13-1.093.22
245KK1.4-1.042.44
246HH-3.640.98-4.62
247EE7.251.285.97
248FF-3.35-3.930.58
249QQ-1.010.91-1.91
250AA0.8-0.261.07
251EE-0.8-3.032.23
252TT-1.49-3.471.98
253KK3.09-0.023.11
254KK0.830.630.2
255LL-3.38-3.720.33
256LL-4.66-4.760.09
257DD0.1-0.720.82
258II13.460.2913.17
259VV-1.93-3.151.22
260AA0.2-3.633.83
261RR7.810.257.56
262SS1.920.831.09
263LL8.68-2.4811.17
264YY-1.8219.94-21.76
265SS2.31-0.472.78
266EE8.921.956.97
267KK3.3931.06-27.67
268EE-3.18-2.62-0.56
269VV0.752.45-1.7
270FF-3.03-4.421.39
271II-4.35-3.99-0.35
272RR1.161.67-0.51
273EE0.05-0.540.59
274LL-0.16-2.422.26
275II-5.25-5.06-0.2
276SS-0.15-0.580.43
277NN-1.071.34-2.4
278AA-2.54-2.750.21
279SS-0.760.28-1.04
280DD-0.41-0.530.12
281AA-3.25-3.18-0.07
282LL-5.85-6.130.28
283EE-1.53-2.611.08
284KK-0.570.21-0.78
285LL-2.22-4.262.04
286RR10.19-3.413.59
287HH1.370.710.66
288KK6.616.370.23
289LL4.27-3.627.89
290VV13.151.0612.1
291SS30.941.029.93
292-D-0.2-
293-G--1.55-
294-Q--1.13-
295AA5.780.45.38
296LL3.96-0.894.85
297PP-4.47-2.38-2.09
298EE1.065.09-4.03
299MM11.61.010.6
300EE-0.730.41-1.14
301II-6.96-7.450.49
302HH-3.28-1.38-1.89
303LL-4.91-4.2-0.71
304QQ-0.440.71-1.15
305TT-3.26-3.530.27
306NN-1.04-0.71-0.33
307AA0.861.11-0.25
308EE7.863.424.44
309KK4.149.12-4.97
310GG-2.19-1.25-0.94
311TT-0.7-1.240.53
312II-2.27-3.631.36
313TT-2.73-1.25-1.49
314II-2.54-3.761.22
315QQ-3.10.72-3.82
316DD-2.87-1.95-0.92
317TT0.351.95-1.59
318GG-0.96-1.250.29
319II3.916.62-2.71
320GG-1.92-1.79-0.13
321MM-1.45-0.55-0.9
322TT-1.34-1.590.25
323QQ1.78-1.152.93
324EE1.446.1-4.66
325EE-2.01-2.620.62
326LL-3.1-3.570.47
327VV-0.6-1.020.41
328SS0.41.4-1.01
329NN0.312.74-2.43
330LL-5.27-4.78-0.49
331GG0.77-0.321.09
332TT1.611.72-0.1
333II0.42-1.41.81
334AA2.77-2.725.49
335RR3.31.232.07
336SS0.38-1.041.42
337GG0.050.3-0.25
338SS0.790.370.43
339KK0.022.3-2.28
340AA-1.75-2.911.17
341FF-5.99-2.3-3.69
342LL-3.48-0.06-3.43
343DD-0.39-0.39-0.0
344AA-3.34-0.3-3.04
345LL3.38-1.945.32
346QQ1.315.43-4.11
347NN-0.1418.71-18.85
348Q-1.82--
349A-1.96--
350E-4.71--
351A--0.03--
352S--1.57--
353S-0.05--
354K-2.75--
355I--2.42--
356I--5.21--
357G-0.96--
358QQ0.399.4-9.01
359FF-2.733.51-6.23
360GG-1.2-0.93-0.27
361VV-1.60.77-2.37
362GG-0.541.85-2.39
363FF-1.69-1.65-0.05
364YY-1.94-1.6-0.34
365SS-0.951.07-2.02
366AA-3.48-2.39-1.09
367FF-2.22-2.650.44
368MM-2.49-3.340.86
369VV-5.03-4.49-0.54
370AA4.781.173.6
371DD0.66-0.381.04
372RR-0.09-0.540.46
373VV-5.2-4.55-0.65
374EE-2.87-3.10.23
375VV-2.44-5.533.09
376YY-6.08-4.02-2.06
377SS-0.85-0.59-0.26
378RR0.17-0.70.87
379SS1.12-0.821.94
380AA-0.4-0.920.52
381AA5.6112.32-6.71
382PP3.1817.85-14.68
383GG-1.5-0.88-0.62
384SS1.260.151.11
385LL-0.51.07-1.56
386GG-1.31-1.350.03
387YY-3.69-4.050.36
388QQ-2.220.13-2.35
389WW-2.44-4.92.46
390LL3.5-0.213.71
391SS-2.14-1.35-0.79
392DD1.65-0.171.83
393GG-2.881.24-4.13
394SS7.450.067.4
395GG3.013.97-0.95
396VV1.940.891.05
397FF-5.411.43-6.84
398EE-2.32-1.23-1.09
399II-2.162.21-4.37
400AA-2.63-0.56-2.07
401EE2.440.791.64
402AA-2.25-0.17-2.08
403SS-0.211.45-11.65
404GG-0.733.56-4.29
405VV-2.97-2.2-0.77
406RR0.634.56-3.94
407TT0.380.110.27
408GG-2.81-2.850.04
409TT0.820.710.11
410KK-0.67-2.01.33
411II-5.02-5.060.04
412II-2.32-2.960.64
413II-1.81-4.622.81
414HH-2.781.2-3.97
415LL-4.85-3.53-1.32
416KK-1.52-0.3-1.22
417SS3.081.042.04
418DD2.62-3.255.88
419CC5.50.614.88
420KK1.791.110.68
421EE-0.550.44-1.0
422FF-3.3-2.94-0.36
423SS-2.19-2.310.12
424SS0.180.120.06
425EE-1.89-2.390.5
426AA1.232.25-1.02
427RR-1.346.45-7.8
428VV-4.9-3.83-1.07
429RR7.0212.62-5.61
430DD-0.626.1-6.72
431VV-1.3-0.11-1.19
432VV-1.060.68-1.74
433TT2.161.680.48
434KK2.2512.15-9.91
435YY-3.250.97-4.22
436SS0.6-1.181.79
437NN-0.221.99-2.21
438FF1.58-0.21.78
439VV1.31-0.31.61
440SS-0.44-0.520.07
441FF-1.2-3.041.84
442PP-4.06-4.480.42
443LL-5.44-5.16-0.28
444YY-4.03-5.111.08
445LL-4.08-4.30.22
446NN-2.35-3.591.24
447GG-2.27-1.86-0.4
448RR7.67.360.24
449RR-1.281.74-3.01
450MM-0.7912.97-13.76
451NN-0.041.65-1.68
452TT5.733.961.77
453X--2.39--
454X--16.2--