Analysis of pair 1rk4B_1k0nA

1rk4B vs 1k0nA

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] 1rk4B vs. 1k0nA (unaligned) — interactive
[missing] 1rk4B vs. 1k0nA (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--0.80.960.80.980.180.160.26---
000--0.80.870.80.840.00.010.0001; 001; 004; 004; 006; 006; 005; 005; 002; 0020.79; 0.79; 0.72; 0.72; 0.71; 0.71; 0.70; 0.70; 0.69; 0.690.85; 0.85; 0.86; 0.86; 0.86; 0.86; 0.86; 0.86; 0.84; 0.84
001--0.750.910.790.980.00.00.0001; 001; 009; 009; 007; 007; 005; 006; 005; 0060.79; 0.79; 0.74; 0.74; 0.73; 0.73; 0.72; 0.71; 0.71; 0.710.86; 0.86; 0.85; 0.85; 0.84; 0.84; 0.90; 0.87; 0.89; 0.87
002--0.790.870.80.870.00.010.01001; 001; 003; 003; 004; 004; 009; 009; 008; 0080.79; 0.79; 0.78; 0.78; 0.74; 0.74; 0.72; 0.72; 0.71; 0.710.84; 0.84; 0.93; 0.93; 0.89; 0.89; 0.89; 0.89; 0.83; 0.83
003--0.680.770.690.740.00.00.01001; 002; 004; 006; 006; 002; 001; 004; 005; 0050.71; 0.71; 0.71; 0.71; 0.71; 0.71; 0.71; 0.71; 0.70; 0.700.78; 0.78; 0.77; 0.84; 0.84; 0.78; 0.78; 0.77; 0.83; 0.83
004--0.660.690.680.690.00.00.0003; 008; 003; 008; 001; 001; 004; 004; 005; 0050.71; 0.71; 0.71; 0.71; 0.70; 0.70; 0.69; 0.69; 0.68; 0.680.83; 0.82; 0.83; 0.82; 0.79; 0.79; 0.80; 0.80; 0.83; 0.83
005--0.80.880.810.840.00.010.0001; 001; 005; 005; 007; 007; 006; 006; 002; 0020.80; 0.80; 0.78; 0.78; 0.76; 0.76; 0.72; 0.72; 0.68; 0.680.85; 0.85; 0.92; 0.92; 0.93; 0.93; 0.85; 0.85; 0.76; 0.76
006--0.610.640.620.610.030.020.01001; 001; 006; 006; 005; 005; 004; 004; 007; 0070.72; 0.72; 0.71; 0.71; 0.70; 0.70; 0.68; 0.68; 0.68; 0.680.77; 0.77; 0.87; 0.87; 0.85; 0.85; 0.83; 0.83; 0.84; 0.84
007--0.70.750.690.730.00.00.0004; 005; 004; 005; 008; 009; 001; 008; 001; 0090.71; 0.71; 0.71; 0.71; 0.70; 0.70; 0.70; 0.70; 0.70; 0.700.85; 0.86; 0.85; 0.86; 0.81; 0.83; 0.78; 0.81; 0.78; 0.83
008--0.590.640.60.630.00.010.01003; 003; 008; 008; 004; 004; 002; 002; 001; 0010.73; 0.73; 0.72; 0.72; 0.71; 0.71; 0.71; 0.71; 0.70; 0.700.85; 0.85; 0.86; 0.86; 0.84; 0.84; 0.78; 0.78; 0.77; 0.77
009--0.670.660.80.790.00.00.0001; 001; 007; 008; 007; 008; 009; 009; 002; 0020.78; 0.78; 0.78; 0.78; 0.78; 0.78; 0.74; 0.74; 0.53; 0.530.84; 0.84; 0.93; 0.94; 0.93; 0.94; 0.89; 0.89; 0.60; 0.60
010--0.480.430.480.430.00.020.0001; 006; 001; 006; 003; 003; 004; 004; 007; 0070.73; 0.73; 0.73; 0.73; 0.72; 0.72; 0.68; 0.68; 0.67; 0.670.80; 0.86; 0.80; 0.86; 0.86; 0.86; 0.82; 0.82; 0.82; 0.82
011--0.650.670.80.790.00.00.0001; 001; 006; 006; 003; 003; 007; 007; 009; 0080.79; 0.79; 0.64; 0.64; 0.63; 0.63; 0.62; 0.62; 0.60; 0.600.84; 0.84; 0.81; 0.81; 0.63; 0.63; 0.72; 0.72; 0.60; 0.58
012--0.780.820.80.860.00.00.0001; 001; 003; 003; 004; 004; 007; 007; 009; 0090.79; 0.79; 0.76; 0.76; 0.67; 0.67; 0.62; 0.62; 0.53; 0.530.85; 0.85; 0.87; 0.87; 0.86; 0.86; 0.76; 0.76; 0.52; 0.52
013--0.680.760.680.760.00.00.0006; 005; 006; 005; 007; 007; 001; 001; 008; 0080.71; 0.71; 0.71; 0.71; 0.70; 0.70; 0.70; 0.70; 0.67; 0.670.86; 0.84; 0.86; 0.84; 0.84; 0.84; 0.76; 0.76; 0.82; 0.82
014--0.690.720.650.670.020.020.01001; 007; 001; 007; 006; 006; 003; 003; 005; 0050.73; 0.73; 0.73; 0.73; 0.72; 0.72; 0.71; 0.71; 0.70; 0.700.79; 0.83; 0.79; 0.83; 0.85; 0.85; 0.85; 0.85; 0.82; 0.82
015--0.720.720.650.620.00.00.0004; 004; 008; 007; 008; 007; 009; 009; 001; 0010.72; 0.72; 0.70; 0.70; 0.70; 0.70; 0.69; 0.69; 0.68; 0.680.85; 0.85; 0.82; 0.84; 0.82; 0.84; 0.83; 0.83; 0.71; 0.71

Aligned per-residue ΔΔG

aln_posaa1aa2E1E2dEdiff
1-P-3.54-
2-Q-2.24-
3-V--3.23-
4-E-1.55-
5-L--5.74-
6-F--5.05-
7-V--4.44-
8-K--1.92-
9-A--2.48-
10GG0.68-1.972.66
11-S-2.91-
12-D--1.74-
13-G--1.78-
14-A-2.28-
15-K-7.89-
16-I-1.22-
17-G--0.94-
18NN-2.372.4-4.76
19CC0.537.04-6.51
20PP-4.5814.94-19.52
21FF-5.392.47-7.86
22SS-0.23-1.651.42
23QQ-1.81-2.320.51
24RR-1.8-1.940.14
25LL-2.16-4.832.67
26FF-1.185.72-6.9
27MM-3.88-4.140.26
28VV-2.96-3.50.55
29LL-2.74-5.843.1
30WW-1.841.68-3.52
31LL-3.45-3.750.3
32KK-3.97-3.85-0.12
33GG-2.28-2.510.24
34VV-1.51-0.92-0.59
35TT-1.342.5-3.84
36FF-1.67-4.042.37
37NN0.08-0.250.33
38VV2.71-0.02.71
39TT2.781.61.18
40TT1.98-1.343.32
41VV1.13-0.541.67
42DD3.9-2.176.07
43TT0.42.57-2.17
44KK0.968.94-7.97
45RR2.834.53-1.7
46RR-0.331.06-1.39
47TT-0.760.17-0.93
48EE-0.674.55-5.22
49TT-0.730.01-0.74
50VV-1.66-1.2-0.45
51QQ-1.1-0.33-0.76
52KK0.270.87-0.6
53LL-6.01-2.37-3.64
54CC0.920.860.06
55PP0.560.82-0.26
56GG0.651.63-0.99
57GG-0.36-0.820.46
58Q-1.93--
59-E-3.22-
60LL0.4313.34-12.91
61PP0.85-4.255.09
62FF0.65-6.06.65
63LL-2.5-2.33-0.17
64LL-0.93-2.982.05
65YY3.65-1.284.93
66GG2.21-0.012.22
67TT1.490.750.74
68EE0.97-0.341.31
69VV5.32-1.356.68
70HH0.81-3.264.07
71TT1.10.20.91
72DD-2.714.86-7.56
73TT3.513.210.3
74NN-1.116.86-7.97
75KK1.14-1.262.4
76II1.66-6.077.73
77EE-4.29-3.78-0.51
78EE-1.533.53-5.07
79FF-5.58-4.05-1.53
80LL-4.97-4.88-0.08
81EE-1.37-1.05-0.33
82AA-0.66-0.39-0.28
83VV-0.4-0.870.47
84LL-3.24-4.551.31
85CC6.216.46-0.25
86PP1.560.321.25
87PP-0.845.73-6.57
88RR9.060.838.22
89YY-4.240.82-5.07
90PP-4.28-2.29-1.99
91KK4.671.712.96
92LL-5.14-4.62-0.52
93AA-0.45-1.340.89
94AA-2.49-2.50.01
95LL-0.5-1.090.59
96NN-1.51-2.681.17
97PP-1.66-1.42-0.24
98EE-0.722.59-3.3
99SS-0.9-0.12-0.77
100NN-1.97-1.97-0.01
101TT0.23-0.81.03
102AA-0.73-0.6-0.13
103GG-3.23-2.93-0.3
104LL13.9-0.1914.09
105DD-1.37-0.04-1.33
106II-4.88-4.29-0.59
107FF-0.260.93-1.19
108AA-1.29-0.2-1.09
109KK0.5-1.091.59
110FF-5.58-3.65-1.93
111SS-2.90.3-3.2
112AA-1.21-1.320.11
113YY-2.62-0.48-2.13
114II0.34-2.362.71
115KK2.64-0.633.26
116NN1.821.180.65
117SS1.48-1.252.73
118NN0.0310.19-10.16
119PP-0.11.18-1.27
120AA-1.127.34-8.46
121LL6.171.874.3
122NN2.893.15-0.26
123DD4.873.191.69
124NN3.982.371.61
125LL-2.78-2.69-0.09
126EE-2.11-2.1-0.01
127KK5.494.590.9
128GG-0.4-0.22-0.18
129LL-4.64-4.52-0.12
130LL-2.58-2.07-0.51
131KK3.640.82.84
132AA-2.01-2.210.2
133LL-5.71-5.730.02
134KK1.091.94-0.85
135VV0.590.410.19
136LL-5.27-4.58-0.69
137DD-3.9-3.84-0.06
138NN0.38-0.741.12
139YY-1.75-2.010.26
140LL-4.31-3.74-0.58
141TT-1.390.04-1.42
142SS2.242.130.11
143PP-2.33-2.370.04
144LL-1.66-0.93-0.73
145PP-0.360.17-0.53
146E-12.52--
147E--1.56--
148V-4.32--
149D-1.22--
150E-1.68--
151T-1.36--
152S-2.4--
153A-1.61--
154E-2.46--
155D-3.12--
156EE0.720.580.14
157GG-1.040.67-1.71
158VV-0.4531.94-32.39
159SS-1.081.03-2.12
160QQ3.142.440.71
161RR2.01-1.063.07
162KK-0.59-0.13-0.47
163FF-3.06-2.66-0.39
164LL-3.22-2.57-0.66
165DD-2.59-2.680.09
166GG-1.1-1.04-0.06
167NN-1.46-1.970.52
168EE2.660.781.88
169LL-4.1-3.76-0.34
170TT-3.35-2.93-0.42
171LL-2.75-3.280.54
172AA-1.33-2.060.74
173DD-1.11-3.682.57
174CC-1.03-1.150.13
175NN0.881.77-0.89
176LL-4.6-4.890.28
177LL-2.61-2.90.29
178PP-2.14-2.480.34
179KK-3.57-2.7-0.87
180LL-3.53-4.50.97
181HH0.03-0.890.92
182II-4.98-4.21-0.77
183VV-3.4-3.480.08
184QQ0.588.03-7.46
185VV-3.48-2.7-0.78
186VV-4.63-6.071.44
187CC-1.59-1.610.01
188KK1.810.331.48
189KK4.281.552.73
190YY10.73-2.6713.4
191RR3.890.533.36
192GG0.2-0.130.33
193FF0.320.95-0.63
194TT-0.623.04-3.66
195II-2.37-3.350.98
196PP6.11-4.6910.8
197EE1.11.1-0.0
198AA0.68-0.541.22
199FF-0.841.63-2.46
200RR18.874.514.38
201GG-1.32-1.50.18
202VV-4.49-4.37-0.12
203HH-0.17-1.31.13
204RR5.863.132.73
205YY-2.85-2.41-0.44
206LL-5.05-4.24-0.81
207SS-0.43-0.510.09
208NN-1.45-2.30.86
209AA-2.69-2.70.0
210YY2.12.2-0.11
211AA-0.15-0.50.36
212RR0.09-0.00.09
213EE0.170.84-0.67
214EE-1.43-2.090.66
215FF-3.16-3.250.09
216AA-0.29-0.880.59
217SS-1.171.01-2.18
218TT-2.97-2.67-0.3
219CC14.753.9610.79
220PP-3.620.12-3.74
221DD3.382.80.58
222DD0.030.15-0.12
223EE1.87.57-5.78
224EE2.5410.54-8.0
225II-5.42-1.04-4.38
226EE1.04-1.042.07
227LL11.735.855.89
228AA-0.73-1.921.19
229YY-0.45-4.313.86
230EE11.070.7110.36
231-Q-1.59-
232-V--1.15-
233-A--2.96-
234-K-0.71-
235-A-0.26-
236-L--1.44-
237-K-2.3-
238-P-2.37-
239-Q--0.07-
240-V--1.81-
241-E-3.71-
242-L--5.85-
243-F--5.29-
244-V--5.1-
245-K--2.98-
246-A--2.74-
247GG0.14-2.212.35
248-S-4.42-
249-D--0.51-
250-G--2.53-
251-A-1.33-
252-K-2.44-
253-I-5.32-
254-G--1.68-
255NN-2.691.87-4.56
256CC0.487.12-6.64
257PP-3.341.66-5.0
258FF-4.271.93-6.2
259SS0.25-0.981.23
260QQ-1.63-1.950.33
261RR-2.550.37-2.92
262LL-3.36-5.051.69
263FF0.69-0.341.04
264MM-4.79-4.06-0.73
265VV-3.44-3.11-0.33
266LL-2.73-5.773.04
267WW-0.295.3-5.59
268LL-3.232.25-5.48
269KK-3.8313.98-17.82
270GG-2.64-2.13-0.5
271VV-3.044.64-7.67
272TT-3.463.58-7.04
273FF2.72-3.76.42
274NN-0.190.48-0.67
275VV27.59-2.2129.81
276TT1.71-0.332.04
277TT10.34-1.3811.72
278VV1.086.6-5.52
279DD-0.12-3.73.58
280TT0.282.0-1.72
281KK2.081.260.83
282RR0.024.13-4.12
283RR5.03.941.07
284TT-0.421.38-1.8
285EE-1.3923.03-24.43
286TT-2.230.3-2.53
287VV-2.07-1.05-1.02
288QQ-0.4-0.12-0.28
289KK0.814.98-14.18
290LL-5.07-2.39-2.68
291CC0.450.69-0.24
292PP-0.470.05-0.52
293GG0.761.61-0.85
294GG-0.21-0.970.76
295Q-1.22--
296-E-0.8-
297LL2.061.230.82
298PP-0.0-2.192.18
299FF0.85-6.597.44
300LL-2.483.01-5.49
301LL-1.76-2.861.1
302YY3.65-0.44.04
303GG2.050.441.61
304TT1.195.13-3.95
305EE-1.65-0.41-1.23
306VV5.12-1.396.51
307HH1.78-2.614.4
308TT1.86-0.772.64
309DD-2.624.37-6.99
310TT2.843.12-0.27
311NN-0.986.15-7.13
312KK-2.320.8-3.12
313II-0.7-5.674.97
314EE-3.59-3.24-0.35
315EE-1.442.94-4.38
316FF-6.81-3.9-2.9
317LL-5.29-3.22-2.07
318EE-3.013.46-6.47
319AA-0.940.34-1.28
320VV-2.66-1.6-1.06
321LL-4.148.91-13.06
322CC5.119.11-4.0
323PP0.494.12-3.63
324PP-0.531.42-1.95
325RR8.865.063.8
326YY-2.33-0.64-1.69
327PP-3.51-3.23-0.28
328KK4.423.081.34
329LL-3.75-2.56-1.2
330AA-0.19-0.16-0.04
331AA-2.51-2.04-0.47
332LL0.341.48-1.14
333NN-1.022.19-3.21
334PP2.35-2.574.93
335EE-0.652.39-3.05
336SS-0.145.82-5.96
337NN-1.79-1.26-0.53
338TT-1.453.75-5.2
339AA-0.7-0.830.14
340GG-2.96-2.57-0.39
341LL10.492.278.23
342DD-1.130.7-1.83
343II-4.94-3.46-1.48
344FF-2.151.79-3.95
345AA-0.040.04-0.08
346KK4.930.884.05
347FF-6.45-0.91-5.54
348SS-2.66-0.52-2.14
349AA-1.24-1.07-0.17
350YY-2.99-0.39-2.6
351II1.15-1.72.86
352KK4.510.883.63
353NN1.292.16-0.87
354SS0.36-1.191.55
355NN-0.4535.23-35.68
356PP0.40.5-0.1
357AA-0.521.27-1.79
358LL2.1332.01-29.89
359NN1.043.44-2.4
360DD-0.0112.37-12.38
361NN1.493.42-1.93
362LL-3.15-0.86-2.29
363EE-0.31-1.240.94
364KK2.6911.13-8.43
365GG-0.04-0.320.28
366LL-4.09-4.390.31
367LL-2.87-2.14-0.73
368KK3.571.781.79
369AA-2.75-2.48-0.26
370LL-6.06-5.16-0.9
371KK-0.458.97-9.41
372VV0.770.760.0
373LL-5.02-4.4-0.62
374DD-3.72-2.65-1.07
375NN-0.71.19-1.89
376YY-1.450.02-1.47
377LL-3.7-2.05-1.65
378TT-1.950.87-2.82
379SS2.697.29-4.59
380P-2.35--
381L--2.79--
382PP2.714.71-2.0
383E-4.96--
384E--1.39--
385V-2.88--
386D-15.79--
387G-2.19--
388V-1.63--
389S--0.9--
390Q-2.81--
391RR1.5412.43-10.89
392KK-1.14.0-5.1
393FF-2.69-1.51-1.18
394LL-3.04-2.8-0.24
395DD-2.687.29-9.97
396GG-1.190.15-1.34
397NN-0.980.74-1.72
398EE0.6511.8-11.14
399LL-3.2318.04-21.27
400TT-3.233.69-6.93
401LL-3.19-2.25-0.94
402AA-2.01-1.64-0.37
403DD-2.26-4.031.77
404CC-0.88-0.68-0.19
405NN1.072.22-1.15
406LL-4.0-3.36-0.64
407LL-1.97-3.121.15
408PP-2.53-3.060.53
409KK-3.63-1.06-2.57
410LL7.39-3.5110.9
411HH1.330.850.48
412II-4.21-3.56-0.65
413VV-4.28-2.92-1.36
414QQ5.646.22-0.59
415VV-2.79-1.46-1.33
416VV-5.21-6.090.89
417CC-2.1-2.130.03
418KK1.50.361.13
419KK-0.52.3-2.8
420YY-1.59-2.961.37
421RR1.9715.94-13.96
422GG-0.230.13-0.36
423FF0.560.86-0.3
424TT-0.448.68-9.12
425II-3.990.93-4.92
426PP-5.36-3.15-2.21
427EE0.793.26-2.47
428AA0.790.290.5
429FF-1.79-2.680.89
430RR3.6427.01-23.37
431GG-1.4-1.24-0.16
432VV-4.5-3.89-0.61
433HH-1.22-0.49-0.73
434RR4.647.94-3.29
435YY-3.35-1.66-1.69
436LL-5.16-2.66-2.5
437SS-0.180.16-0.34
438NN-1.24-1.80.57
439AA-2.58-1.85-0.73
440YY1.733.15-1.42
441AA-0.32-0.13-0.18
442RR0.510.6-0.09
443EE0.57-0.491.06
444EE-1.081.93-3.01
445FF-3.03-1.72-1.31
446AA0.010.07-0.07
447SS-0.19-0.680.48
448TT-2.24-2.620.38
449CC3.034.52-1.49
450PP-0.51-1.350.84
451DD-1.321.18-2.5
452DD-0.171.15-1.32
453EE13.510.6512.87
454EE-2.11.62-3.72
455II-5.55-4.21-1.34
456EE-2.61-2.16-0.45
457LL-0.467.2-7.66
458AA-1.28-1.850.57
459YY-3.33-4.971.64
460EE2.722.620.1
461-Q-5.35-
462-V--0.77-
463-A--3.12-
464-K-2.22-
465-A-0.36-
466-L--2.2-
467-K-2.56-