Analysis of pair 4gqcB_4gqcC

4gqcB vs 4gqcC

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] 4gqcB vs. 4gqcC (unaligned) — interactive
[missing] 4gqcB vs. 4gqcC (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--0.920.920.920.920.120.110.2---
000--0.880.880.890.890.060.070.07001; 001; 005; 007; 007; 005; 002; 002; 003; 0030.89; 0.89; 0.84; 0.84; 0.84; 0.84; 0.82; 0.82; 0.78; 0.780.89; 0.89; 0.84; 0.84; 0.84; 0.84; 0.82; 0.82; 0.78; 0.78
001--0.860.860.870.870.050.060.08001; 001; 005; 006; 005; 006; 002; 003; 002; 0030.85; 0.85; 0.80; 0.80; 0.80; 0.80; 0.79; 0.79; 0.79; 0.790.85; 0.85; 0.80; 0.80; 0.80; 0.80; 0.79; 0.79; 0.79; 0.79
002--0.920.920.920.920.090.10.1001; 001; 003; 003; 009; 009; 002; 002; 010; 0100.92; 0.92; 0.82; 0.82; 0.81; 0.81; 0.80; 0.80; 0.79; 0.790.92; 0.92; 0.82; 0.82; 0.81; 0.81; 0.80; 0.80; 0.79; 0.79
003--0.920.920.920.920.110.110.18001; 001; 006; 006; 002; 002; 003; 003; 008; 0080.92; 0.92; 0.83; 0.83; 0.81; 0.81; 0.80; 0.80; 0.79; 0.790.92; 0.92; 0.83; 0.83; 0.81; 0.81; 0.80; 0.80; 0.79; 0.79
004--0.820.820.820.820.080.090.09001; 001; 010; 010; 003; 003; 004; 002; 002; 0040.83; 0.83; 0.81; 0.81; 0.79; 0.79; 0.78; 0.78; 0.78; 0.780.83; 0.83; 0.81; 0.81; 0.79; 0.79; 0.78; 0.78; 0.78; 0.78
005--0.660.660.690.690.080.090.07009; 008; 009; 008; 010; 010; 005; 005; 004; 0040.86; 0.86; 0.86; 0.86; 0.84; 0.84; 0.83; 0.83; 0.82; 0.820.86; 0.86; 0.86; 0.86; 0.84; 0.84; 0.83; 0.83; 0.82; 0.82
006--0.770.770.780.780.070.050.09002; 002; 006; 006; 001; 001; 003; 003; 004; 0040.84; 0.84; 0.83; 0.83; 0.82; 0.82; 0.78; 0.78; 0.77; 0.770.84; 0.84; 0.83; 0.83; 0.82; 0.82; 0.78; 0.78; 0.77; 0.77
007--0.740.740.760.760.070.070.07001; 001; 008; 004; 008; 004; 009; 002; 002; 0090.83; 0.83; 0.81; 0.81; 0.81; 0.81; 0.79; 0.79; 0.79; 0.790.83; 0.83; 0.81; 0.81; 0.81; 0.81; 0.79; 0.79; 0.79; 0.79
008--0.770.770.790.790.060.060.08001; 007; 001; 007; 005; 005; 009; 009; 008; 0080.81; 0.81; 0.81; 0.81; 0.79; 0.79; 0.76; 0.76; 0.73; 0.730.81; 0.81; 0.81; 0.81; 0.79; 0.79; 0.76; 0.76; 0.73; 0.73
009--0.860.860.870.870.090.090.1001; 001; 004; 004; 009; 009; 005; 002; 002; 0050.86; 0.86; 0.82; 0.82; 0.80; 0.80; 0.78; 0.78; 0.78; 0.780.86; 0.86; 0.82; 0.82; 0.80; 0.80; 0.78; 0.78; 0.78; 0.78
010--0.760.760.750.750.130.140.19004; 004; 001; 001; 009; 009; 003; 003; 007; 0070.83; 0.83; 0.81; 0.81; 0.81; 0.81; 0.80; 0.80; 0.79; 0.790.83; 0.83; 0.81; 0.81; 0.81; 0.81; 0.80; 0.80; 0.79; 0.79
011--0.840.840.830.830.10.090.13008; 008; 001; 003; 003; 005; 001; 005; 007; 0070.83; 0.83; 0.82; 0.82; 0.82; 0.82; 0.82; 0.82; 0.80; 0.800.83; 0.83; 0.82; 0.82; 0.82; 0.82; 0.82; 0.82; 0.80; 0.80
012--0.760.760.770.770.080.090.08006; 008; 008; 006; 005; 007; 005; 007; 002; 0020.81; 0.81; 0.81; 0.81; 0.80; 0.80; 0.80; 0.80; 0.78; 0.780.81; 0.81; 0.81; 0.81; 0.80; 0.80; 0.80; 0.80; 0.78; 0.78
013--0.740.740.70.70.060.080.07003; 003; 002; 002; 008; 001; 001; 008; 009; 0090.82; 0.82; 0.81; 0.81; 0.80; 0.80; 0.80; 0.80; 0.77; 0.770.82; 0.82; 0.81; 0.81; 0.80; 0.80; 0.80; 0.80; 0.77; 0.77
014--0.810.810.820.820.130.130.18005; 005; 001; 003; 003; 001; 010; 009; 009; 0100.82; 0.82; 0.81; 0.81; 0.81; 0.81; 0.80; 0.80; 0.80; 0.800.82; 0.82; 0.81; 0.81; 0.81; 0.81; 0.80; 0.80; 0.80; 0.80
015--0.830.830.820.820.080.090.12001; 008; 001; 008; 004; 004; 002; 002; 006; 0070.79; 0.79; 0.79; 0.79; 0.77; 0.77; 0.77; 0.77; 0.76; 0.760.79; 0.79; 0.79; 0.79; 0.77; 0.77; 0.77; 0.77; 0.76; 0.76
016--0.750.750.770.770.070.080.07006; 006; 001; 002; 007; 002; 001; 007; 003; 0030.80; 0.80; 0.78; 0.78; 0.78; 0.78; 0.78; 0.78; 0.77; 0.770.80; 0.80; 0.78; 0.78; 0.78; 0.78; 0.78; 0.78; 0.77; 0.77
017--0.760.760.760.760.080.120.11008; 008; 002; 002; 003; 009; 003; 009; 001; 0010.83; 0.83; 0.80; 0.80; 0.78; 0.78; 0.78; 0.78; 0.77; 0.770.83; 0.83; 0.80; 0.80; 0.78; 0.78; 0.78; 0.78; 0.77; 0.77
018--0.70.70.710.710.090.080.1001; 001; 008; 003; 008; 003; 004; 004; 007; 0070.81; 0.81; 0.80; 0.80; 0.80; 0.80; 0.77; 0.77; 0.77; 0.770.81; 0.81; 0.80; 0.80; 0.80; 0.80; 0.77; 0.77; 0.77; 0.77
019--0.750.750.770.770.10.120.15004; 004; 001; 001; 006; 006; 005; 005; 002; 0020.83; 0.83; 0.81; 0.81; 0.80; 0.80; 0.79; 0.79; 0.77; 0.770.83; 0.83; 0.81; 0.81; 0.80; 0.80; 0.79; 0.79; 0.77; 0.77
020--0.810.810.80.80.080.090.1001; 010; 010; 001; 003; 003; 008; 002; 002; 0080.82; 0.82; 0.82; 0.82; 0.81; 0.81; 0.80; 0.80; 0.80; 0.800.82; 0.82; 0.82; 0.82; 0.81; 0.81; 0.80; 0.80; 0.80; 0.80

Aligned per-residue ΔΔG

aln_posaa1aa2E1E2dEdiff
1LL11.7511.750.0
2VV-2.53-2.530.0
3EE5.755.750.0
4LL0.320.320.0
5GG-2.27-2.270.0
6EE3.153.150.0
7KK4.934.930.0
8AA-0.92-0.920.0
9PP-3.93-3.930.0
10DD-1.23-1.230.0
11FF-6.27-6.270.0
12TT-1.4-1.40.0
13LL-2.16-2.160.0
14PP-4.31-4.310.0
15NN-4.28-4.280.0
16QQ0.070.070.0
17DD-1.07-1.070.0
18FF-2.49-2.490.0
19EE2.522.520.0
20PP-3.18-3.180.0
21VV-4.09-4.090.0
22NN-1.43-1.430.0
23LL-6.05-6.050.0
24YY-0.47-0.470.0
25EE-0.03-0.030.0
26VV-1.86-1.860.0
27LL-5.37-5.370.0
28KK1.571.570.0
29RR1.481.480.0
30GG-1.99-1.990.0
31RR1.61.60.0
32PP-7.6-7.60.0
33AA-2.68-2.680.0
34VV-5.08-5.080.0
35LL-4.92-4.920.0
36II-2.28-2.280.0
37FF-7.65-7.650.0
38FF-0.42-0.420.0
39PP0.760.760.0
40AA-0.6-0.60.0
41AA-4.46-4.460.0
42FF-3.99-3.990.0
43SS-0.19-0.190.0
44PP-1.6-1.60.0
45VV-0.03-0.030.0
46CC1.151.150.0
47TT1.231.230.0
48KK9.759.750.0
49EE2.12.10.0
50LL2.132.130.0
51CC4.774.770.0
52TT0.940.940.0
53FF1.491.490.0
54RR7.637.630.0
55DD0.350.350.0
56KK1.141.140.0
57MM1.141.140.0
58AA-0.11-0.110.0
59QQ0.70.70.0
60LL-1.79-1.790.0
61EE6.336.330.0
62KK1.881.880.0
63AA-1.46-1.460.0
64NN-1.05-1.050.0
65AA-2.4-2.40.0
66EE0.470.470.0
67VV-4.4-4.40.0
68LL-4.8-4.80.0
69AA-2.36-2.360.0
70II-2.95-2.950.0
71SS-1.38-1.380.0
72VV0.310.310.0
73DD0.070.070.0
74SS-1.05-1.050.0
75PP-4.83-4.830.0
76WW0.350.350.0
77CC1.711.710.0
78LL-4.92-4.920.0
79KK-0.57-0.570.0
80KK-0.96-0.960.0
81FF-3.39-3.390.0
82KK0.690.690.0
83DD-0.38-0.380.0
84EE0.360.360.0
85NN-0.74-0.740.0
86RR10.1110.110.0
87LL-3.57-3.570.0
88AA0.460.460.0
89FF-1.47-1.470.0
90NN-2.9-2.90.0
91LL-2.21-2.210.0
92LL-5.62-5.620.0
93SS-0.58-0.580.0
94DD-6.2-6.20.0
95YY-0.27-0.270.0
96NN-1.63-1.630.0
97RR6.456.450.0
98EE1.11.10.0
99VV-5.02-5.020.0
100II-4.43-4.430.0
101KK0.870.870.0
102LL2.942.940.0
103YY-4.35-4.350.0
104NN0.330.330.0
105VV-2.27-2.270.0
106YY-0.37-0.370.0
107HH-1.47-1.470.0
108EE4.024.020.0
109DD-1.13-1.130.0
110LL3.183.180.0
111KK2.552.550.0
112GG-3.66-3.660.0
113LL-3.69-3.690.0
114KK1.851.850.0
115MM-1.15-1.150.0
116VV-1.25-1.250.0
117AA-3.23-3.230.0
118KK-2.11-2.110.0
119RR1.341.340.0
120AA-4.21-4.210.0
121VV-4.53-4.530.0
122FF-5.48-5.480.0
123II-5.64-5.640.0
124VV-5.89-5.890.0
125KK4.874.870.0
126PP-3.38-3.380.0
127DD0.470.470.0
128GG-4.01-4.010.0
129TT-0.92-0.920.0
130VV-4.25-4.250.0
131AA-1.58-1.580.0
132YY-1.14-1.140.0
133KK-0.57-0.570.0
134WW-2.83-2.830.0
135VV-0.92-0.920.0
136TT-2.01-2.010.0
137DD-2.8-2.80.0
138NN-1.29-1.290.0
139PP-3.1-3.10.0
140LL-2.19-2.190.0
141NN-1.97-1.970.0
142EE6.946.940.0
143PP-4.68-4.680.0
144DD-0.74-0.740.0
145YY-0.71-0.710.0
146DD2.952.950.0
147EE6.236.230.0
148VV-3.62-3.620.0
149VV-2.54-2.540.0
150RR4.834.830.0
151EE-0.85-0.850.0
152AA-3.51-3.510.0
153NN-3.37-3.370.0
154KK0.460.460.0
155II1.091.090.0
156AA-1.91-1.910.0
157GG1.631.630.0
158EE0.420.420.0
159LL1.541.540.0
160VV4.524.520.0
161XX-0.22-0.220.0
162XX0.560.560.0
163XX-1.36-1.360.0
164XX-2.4-2.40.0
165XX0.210.210.0
166XX-0.67-0.670.0
167XX-0.43-0.430.0
168XX-0.24-0.240.0
169XX-0.27-0.270.0
170XX2.852.850.0
171LL13.4113.410.0
172VV-3.3-3.30.0
173EE10.0910.090.0
174LL0.10.10.0
175GG-2.18-2.180.0
176EE3.773.770.0
177KK5.785.780.0
178AA-0.76-0.760.0
179PP-2.95-2.950.0
180DD0.680.680.0
181FF-6.11-6.110.0
182TT-0.29-0.290.0
183LL-3.4-3.40.0
184PP-5.29-5.290.0
185NN-4.03-4.030.0
186QQ-0.43-0.430.0
187DD-1.31-1.310.0
188FF-2.34-2.340.0
189EE1.421.420.0
190PP-3.28-3.280.0
191VV-4.13-4.130.0
192NN-1.15-1.150.0
193LL-5.42-5.420.0
194YY0.020.020.0
195EE-3.13-3.130.0
196VV-1.98-1.980.0
197LL-5.84-5.840.0
198KK-0.17-0.170.0
199RR2.252.250.0
200GG-1.86-1.860.0
201RR-0.54-0.540.0
202PP-6.66-6.660.0
203AA-2.58-2.580.0
204VV-4.26-4.260.0
205LL-4.57-4.570.0
206II-2.91-2.910.0
207FF-7.9-7.90.0
208FF-1.38-1.380.0
209PP-0.04-0.040.0
210AA-1.01-1.010.0
211AA-4.89-4.890.0
212FF-3.93-3.930.0
213SS-0.23-0.230.0
214PP-4.26-4.260.0
215VV-1.68-1.680.0
216CC0.930.930.0
217TT-0.17-0.170.0
218KK3.623.620.0
219EE0.930.930.0
220LL0.630.630.0
221CC4.214.210.0
222TT-1.17-1.170.0
223FF1.351.350.0
224RR9.19.10.0
225DD1.391.390.0
226KK-0.37-0.370.0
227MM-0.87-0.870.0
228AA-0.44-0.440.0
229QQ1.41.40.0
230LL-3.35-3.350.0
231EE1.081.080.0
232KK4.184.180.0
233AA-1.89-1.890.0
234NN-1.64-1.640.0
235AA-2.51-2.510.0
236EE0.650.650.0
237VV-4.18-4.180.0
238LL-4.32-4.320.0
239AA-2.12-2.120.0
240II-4.41-4.410.0
241SS-1.8-1.80.0
242VV-0.29-0.290.0
243DD-0.59-0.590.0
244SS-1.03-1.030.0
245PP-4.86-4.860.0
246WW-0.16-0.160.0
247CC1.161.160.0
248LL-4.96-4.960.0
249KK-0.61-0.610.0
250KK-2.04-2.040.0
251FF-3.13-3.130.0
252KK-1.26-1.260.0
253DD-0.89-0.890.0
254EE1.021.020.0
255NN-1.72-1.720.0
256RR3.13.10.0
257LL-4.58-4.580.0
258AA0.580.580.0
259FF-2.71-2.710.0
260NN-2.11-2.110.0
261LL-1.99-1.990.0
262LL-5.9-5.90.0
263SS-0.54-0.540.0
264DD-5.51-5.510.0
265YY-0.55-0.550.0
266NN-1.12-1.120.0
267RR5.085.080.0
268EE1.181.180.0
269VV-4.86-4.860.0
270II-3.27-3.270.0
271KK-0.48-0.480.0
272LL5.545.540.0
273YY-3.78-3.780.0
274NN0.270.270.0
275VV-2.89-2.890.0
276YY-0.34-0.340.0
277HH-1.44-1.440.0
278EE8.898.890.0
279DD-0.12-0.120.0
280LL1.291.290.0
281KK9.599.590.0
282GG-3.02-3.020.0
283LL-4.28-4.280.0
284KK-1.56-1.560.0
285MM-1.29-1.290.0
286VV-1.12-1.120.0
287AA-3.2-3.20.0
288KK-1.4-1.40.0
289RR-0.22-0.220.0
290AA-4.44-4.440.0
291VV-5.17-5.170.0
292FF-6.05-6.050.0
293II-6.65-6.650.0
294VV-6.42-6.420.0
295KK-1.42-1.420.0
296PP-4.31-4.310.0
297DD2.382.380.0
298GG-4.1-4.10.0
299TT-1.75-1.750.0
300VV-4.39-4.390.0
301AA-1.23-1.230.0
302YY-1.83-1.830.0
303KK-2.69-2.690.0
304WW-2.96-2.960.0
305VV-0.91-0.910.0
306TT-2.79-2.790.0
307DD-1.45-1.450.0
308NN-1.62-1.620.0
309PP-3.88-3.880.0
310LL-3.15-3.150.0
311NN-2.62-2.620.0
312EE-1.63-1.630.0
313PP-4.21-4.210.0
314DD-1.91-1.910.0
315YY-1.67-1.670.0
316DD2.982.980.0
317EE8.58.50.0
318VV-3.46-3.460.0
319VV-3.05-3.050.0
320RR8.698.690.0
321EE-0.79-0.790.0
322AA-3.67-3.670.0
323NN-3.27-3.270.0
324KK2.092.090.0
325II-2.04-2.040.0
326AA-1.93-1.930.0
327GG1.251.250.0
328EE1.321.320.0
329LL0.680.680.0
330VV3.773.770.0
331XX-1.28-1.280.0
332XX-2.99-2.990.0
333XX-1.23-1.230.0
334XX-0.57-0.570.0
335XX-0.84-0.840.0
336XX-2.23-2.230.0
337XX-0.76-0.760.0
338XX-0.24-0.240.0
339XX1.781.780.0
340XX-0.03-0.030.0
341GG1.351.350.0
342LL16.2116.210.0
343VV7.387.380.0
344EE1.091.090.0
345LL7.997.990.0
346GG-2.39-2.390.0
347EE4.784.780.0
348KK0.530.530.0
349AA-2.46-2.460.0
350PP-2.81-2.810.0
351DD-1.8-1.80.0
352FF-4.79-4.790.0
353TT-0.8-0.80.0
354LL-1.88-1.880.0
355PP-4.78-4.780.0
356NN-4.59-4.590.0
357QQ1.641.640.0
358DD-0.91-0.910.0
359FF-0.66-0.660.0
360EE1.411.410.0
361PP-2.69-2.690.0
362VV-2.49-2.490.0
363NN-1.32-1.320.0
364LL-5.39-5.390.0
365YY-0.6-0.60.0
366EE-0.6-0.60.0
367VV1.71.70.0
368LL-4.23-4.230.0
369KK6.956.950.0
370RR0.710.710.0
371GG-2.27-2.270.0
372RR13.0713.070.0
373PP-7.42-7.420.0
374AA-3.01-3.010.0
375VV-4.16-4.160.0
376LL-5.04-5.040.0
377II-5.28-5.280.0
378FF-6.85-6.850.0
379FF-2.44-2.440.0
380PP-0.73-0.730.0
381AA-1.45-1.450.0
382AA-4.95-4.950.0
383FF-4.15-4.150.0
384SS2.482.480.0
385PP-1.37-1.370.0
386VV-0.62-0.620.0
387CC2.672.670.0
388TT0.590.590.0
389KK-1.97-1.970.0
390EE-2.61-2.610.0
391LL-0.15-0.150.0
392CC0.750.750.0
393TT-0.05-0.050.0
394FF-3.0-3.00.0
395RR-2.49-2.490.0
396DD-2.2-2.20.0
397KK-2.06-2.060.0
398MM3.983.980.0
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