Analysis of pair 5c1vB_5c1vA

5c1vB vs 5c1vA

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] 5c1vB vs. 5c1vA (unaligned) — interactive
[missing] 5c1vB vs. 5c1vA (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--1.01.00.990.990.140.130.14---
000--0.960.960.970.970.340.320.3001; 001; 002; 002; 008; 006; 006; 008; 009; 0090.97; 0.97; 0.87; 0.87; 0.86; 0.86; 0.86; 0.86; 0.85; 0.850.97; 0.97; 0.87; 0.87; 0.86; 0.86; 0.86; 0.86; 0.85; 0.85
001--0.930.930.930.930.080.10.07008; 008; 009; 009; 001; 001; 004; 004; 002; 0020.95; 0.95; 0.94; 0.94; 0.89; 0.89; 0.80; 0.80; 0.77; 0.770.95; 0.95; 0.94; 0.94; 0.89; 0.89; 0.80; 0.80; 0.77; 0.77
002--0.840.840.850.850.020.020.03002; 002; 003; 003; 001; 001; 006; 006; 004; 0040.92; 0.91; 0.89; 0.89; 0.86; 0.86; 0.84; 0.84; 0.83; 0.830.92; 0.91; 0.89; 0.89; 0.86; 0.86; 0.84; 0.84; 0.83; 0.83
003--0.810.810.80.80.020.020.02003; 003; 002; 001; 009; 001; 009; 002; 005; 0050.89; 0.89; 0.86; 0.86; 0.86; 0.86; 0.86; 0.86; 0.77; 0.770.89; 0.89; 0.86; 0.86; 0.86; 0.86; 0.86; 0.86; 0.77; 0.77
004--0.90.90.910.910.110.110.1008; 008; 001; 001; 007; 007; 006; 006; 004; 0040.95; 0.95; 0.93; 0.93; 0.88; 0.88; 0.87; 0.87; 0.75; 0.750.95; 0.95; 0.93; 0.93; 0.88; 0.88; 0.87; 0.87; 0.75; 0.75
005--0.80.80.480.480.040.040.04005; 005; 001; 001; 004; 006; 004; 006; 003; 0020.90; 0.90; 0.88; 0.88; 0.87; 0.87; 0.87; 0.87; 0.81; 0.810.90; 0.90; 0.88; 0.88; 0.87; 0.87; 0.87; 0.87; 0.81; 0.81
006--0.770.770.770.770.030.030.03002; 002; 004; 004; 001; 001; 006; 006; 003; 0030.87; 0.87; 0.84; 0.84; 0.83; 0.83; 0.81; 0.81; 0.77; 0.770.87; 0.87; 0.84; 0.84; 0.83; 0.83; 0.81; 0.81; 0.77; 0.77
007--0.830.830.850.850.030.040.03001; 002; 002; 001; 008; 008; 007; 007; 003; 0030.89; 0.89; 0.89; 0.89; 0.87; 0.87; 0.68; 0.68; 0.67; 0.670.89; 0.89; 0.89; 0.89; 0.87; 0.87; 0.68; 0.68; 0.67; 0.67
008--0.960.960.970.970.320.30.28001; 001; 009; 009; 005; 007; 007; 005; 006; 0060.96; 0.96; 0.92; 0.92; 0.81; 0.81; 0.81; 0.81; 0.79; 0.790.96; 0.96; 0.92; 0.92; 0.81; 0.81; 0.81; 0.81; 0.79; 0.79
009--0.840.840.840.840.030.030.03007; 007; 001; 001; 004; 008; 004; 008; 002; 0020.91; 0.91; 0.88; 0.88; 0.86; 0.86; 0.86; 0.86; 0.77; 0.770.91; 0.91; 0.88; 0.88; 0.86; 0.86; 0.86; 0.86; 0.77; 0.77
010--0.990.990.990.990.070.060.06001; 001; 006; 006; 008; 008; 002; 002; 007; 0070.99; 0.99; 0.98; 0.98; 0.93; 0.93; 0.78; 0.78; 0.75; 0.750.99; 0.99; 0.98; 0.98; 0.93; 0.93; 0.78; 0.78; 0.75; 0.75
011--0.460.460.510.510.00.00.0001; 001; 002; 002; 007; 007; 006; 006; 004; 0040.75; 0.75; 0.59; 0.59; 0.58; 0.58; 0.44; 0.44; 0.40; 0.400.75; 0.75; 0.59; 0.59; 0.58; 0.58; 0.44; 0.44; 0.40; 0.40
012--0.820.820.830.830.020.020.02007; 007; 002; 002; 006; 010; 006; 010; 001; 0010.90; 0.90; 0.89; 0.89; 0.87; 0.87; 0.87; 0.87; 0.83; 0.830.90; 0.90; 0.89; 0.89; 0.87; 0.87; 0.87; 0.87; 0.83; 0.83
013--0.820.820.80.80.020.030.02006; 006; 001; 001; 003; 003; 007; 007; 005; 0050.89; 0.89; 0.88; 0.88; 0.86; 0.86; 0.85; 0.85; 0.69; 0.690.89; 0.89; 0.88; 0.88; 0.86; 0.86; 0.85; 0.85; 0.69; 0.69
014--0.770.770.780.780.020.020.02004; 004; 005; 005; 007; 007; 001; 002; 002; 0010.84; 0.84; 0.82; 0.82; 0.82; 0.82; 0.81; 0.81; 0.81; 0.810.84; 0.84; 0.82; 0.82; 0.82; 0.82; 0.81; 0.81; 0.81; 0.81
015--0.810.810.790.790.010.010.01009; 009; 010; 010; 001; 001; 002; 002; 005; 0050.88; 0.88; 0.86; 0.86; 0.85; 0.85; 0.80; 0.80; 0.77; 0.770.88; 0.88; 0.86; 0.86; 0.85; 0.85; 0.80; 0.80; 0.77; 0.77
016--0.940.940.940.940.130.140.12001; 001; 004; 004; 005; 005; 010; 010; 007; 0020.95; 0.95; 0.93; 0.93; 0.88; 0.88; 0.87; 0.87; 0.83; 0.820.95; 0.95; 0.93; 0.93; 0.88; 0.88; 0.87; 0.87; 0.83; 0.82
017--0.950.950.950.950.10.110.09006; 010; 010; 006; 009; 009; 001; 001; 004; 0040.97; 0.97; 0.97; 0.97; 0.97; 0.96; 0.96; 0.96; 0.73; 0.730.97; 0.97; 0.97; 0.97; 0.97; 0.96; 0.96; 0.96; 0.73; 0.73

Aligned per-residue ΔΔG

aln_posaa1aa2E1E2dEdiff
1PP30.4330.430.0
2PP30.9830.980.0
3SS8.118.110.0
4HH2.632.630.0
5RR7.837.830.0
6LL-3.36-3.360.0
7TT0.510.510.0
8AA-0.96-0.960.0
9KK8.478.470.0
10EE4.144.140.0
11VV-2.76-2.760.0
12FF-1.25-1.250.0
13DD4.14.10.0
14NN7.627.620.0
15DD6.746.740.0
16GG-1.16-1.160.0
17KK5.855.850.0
18PP-4.03-4.030.0
19RR23.7723.770.0
20VV0.220.220.0
21DD11.5611.560.0
22II5.185.180.0
23LL2.922.920.0
24KK-0.22-0.220.0
25AA0.490.490.0
26HH1.131.130.0
27LL-1.86-1.860.0
28MM1.621.620.0
29KK6.626.620.0
30EE5.365.360.0
31GG1.131.130.0
32RR9.179.170.0
33LL-4.5-4.50.0
34EE-0.67-0.670.0
35EE0.710.710.0
36SS6.646.640.0
37VV-2.33-2.330.0
38AA-3.83-3.830.0
39LL4.014.010.0
40RR2.922.920.0
41II-4.71-4.710.0
42II-5.34-5.340.0
43TT2.112.110.0
44EE1.111.110.0
45GG0.170.170.0
46AA-2.69-2.690.0
47SS0.20.20.0
48II-0.36-0.360.0
49LL-2.78-2.780.0
50RR8.368.360.0
51QQ2.252.250.0
52EE-0.29-0.290.0
53KK7.297.290.0
54NN-2.7-2.70.0
55LL11.7111.710.0
56LL4.014.010.0
57DD5.335.330.0
58II-2.54-2.540.0
59DD0.440.440.0
60AA2.242.240.0
61PP3.33.30.0
62VV-1.43-1.430.0
63TT6.826.820.0
64VV-3.35-3.350.0
65CC-2.29-2.290.0
66GG-2.15-2.150.0
67DD-8.66-8.660.0
68II3.443.440.0
69HH6.896.890.0
70GG-1.53-1.530.0
71QQ17.2117.210.0
72FF-2.54-2.540.0
73FF1.131.130.0
74DD-2.47-2.470.0
75LL-4.53-4.530.0
76MM1.051.050.0
77KK2.462.460.0
78LL-2.67-2.670.0
79FF-2.9-2.90.0
80EE0.330.330.0
81VV-1.14-1.140.0
82GG0.190.190.0
83GG-2.06-2.060.0
84SS4.414.410.0
85PP1.471.470.0
86AA1.571.570.0
87NN7.847.840.0
88TT1.981.980.0
89RR3.03.00.0
90YY-4.54-4.540.0
91LL-5.4-5.40.0
92FF-5.45-5.450.0
93LL2.822.820.0
94GG-1.14-1.140.0
95DD-11.67-11.670.0
96YY-3.33-3.330.0
97VV-1.7-1.70.0
98DD6.746.740.0
99RR19.0419.040.0
100GG5.455.450.0
101YY8.968.960.0
102FF0.560.560.0
103SS4.634.630.0
104II-2.92-2.920.0
105EE-1.88-1.880.0
106CC-0.78-0.780.0
107VV-3.44-3.440.0
108LL-5.05-5.050.0
109YY-0.98-0.980.0
110LL-4.48-4.480.0
111WW1.591.590.0
112AA-2.78-2.780.0
113LL0.270.270.0
114KK7.127.120.0
115II-1.51-1.510.0
116LL-1.47-1.470.0
117YY25.5125.510.0
118PP27.8227.820.0
119KK18.8918.890.0
120TT13.8513.850.0
121LL-0.71-0.710.0
122FF-0.93-0.930.0
123LL1.21.20.0
124LL2.212.210.0
125RR-1.81-1.810.0
126GG-0.65-0.650.0
127NN1.671.670.0
128HH4.124.120.0
129EE-2.6-2.60.0
130CC0.450.450.0
131RR4.254.250.0
132HH1.131.130.0
133LL-0.49-0.490.0
134TT-0.45-0.450.0
135EE10.8210.820.0
136YY1.841.840.0
137FF5.415.410.0
138TT9.499.490.0
139FF-4.08-4.080.0
140KK0.060.060.0
141QQ3.193.190.0
142EE-1.87-1.870.0
143CC-0.5-0.50.0
144KK3.153.150.0
145II5.115.110.0
146KK4.244.240.0
147YY0.510.510.0
148SS8.478.470.0
149EE12.2212.220.0
150RR26.1526.150.0
151VV-2.55-2.550.0
152YY-1.32-1.320.0
153DD-0.05-0.050.0
154AA-3.63-3.630.0
155CC-0.78-0.780.0
156MM-0.51-0.510.0
157DD2.762.760.0
158AA-2.41-2.410.0
159FF-3.37-3.370.0
160DD0.130.130.0
161CC-0.74-0.740.0
162LL-2.84-2.840.0
163PP-1.5-1.50.0
164LL-1.5-1.50.0
165AA-4.15-4.150.0
166AA-4.25-4.250.0
167LL10.5810.580.0
168MM4.034.030.0
169NN0.230.230.0
170QQ11.2511.250.0
171QQ-1.33-1.330.0
172FF-2.79-2.790.0
173LL-0.53-0.530.0
174CC1.331.330.0
175VV-1.61-1.610.0
176HH4.34.30.0
177GG-0.68-0.680.0
178GG0.930.930.0
179LL-0.25-0.250.0
180SS2.582.580.0
181PP-1.64-1.640.0
182EE0.110.110.0
183II0.560.560.0
184NN1.941.940.0
185TT14.714.70.0
186LL5.675.670.0
187DD5.75.70.0
188DD-2.45-2.450.0
189II-0.28-0.280.0
190RR8.628.620.0
191KK2.552.550.0
192LL-1.69-1.690.0
193DD1.481.480.0
194RR-1.18-1.180.0
195FF0.190.190.0
196KK6.016.010.0
197EE-0.86-0.860.0
198PP-0.67-0.670.0
199PP0.490.490.0
200AA-1.18-1.180.0
201YY1.411.410.0
202GG8.828.820.0
203PP10.9810.980.0
204MM3.293.290.0
205CC0.760.760.0
206DD1.331.330.0
207II-2.88-2.880.0
208LL-4.77-4.770.0
209WW-0.34-0.340.0
210SS2.732.730.0
211DD0.80.80.0
212PP-5.33-5.330.0
213LL3.513.510.0
214EE10.010.00.0
215DD0.590.590.0
216FF-1.03-1.030.0
217GG-1.85-1.850.0
218NN3.073.070.0
219EE3.573.570.0
220KK26.0126.010.0
221TT7.567.560.0
222QQ8.028.020.0
223EE13.0213.020.0
224HH13.2613.260.0
225FF1.341.340.0
226TT9.339.330.0
227HH8.298.290.0
228NN0.320.320.0
229TT2.232.230.0
230VV6.136.130.0
231RR-0.72-0.720.0
232GG1.791.790.0
233CC3.283.280.0
234SS0.430.430.0
235YY-0.76-0.760.0
236FF5.825.820.0
237YY-3.75-3.750.0
238SS-0.86-0.860.0
239YY18.2218.220.0
240PP18.718.70.0
241AA-1.43-1.430.0
242VV-1.98-1.980.0
243CC1.831.830.0
244EE0.020.020.0
245FF-1.07-1.070.0
246LL0.870.870.0
247QQ6.036.030.0
248HH2.742.740.0
249NN0.550.550.0
250NN-0.15-0.150.0
251LL-3.94-3.940.0
252LL15.5115.510.0
253SS-1.04-1.040.0
254II-2.74-2.740.0
255LL-1.92-1.920.0
256RR0.930.930.0
257AA2.432.430.0
258HH12.1212.120.0
259EE8.438.430.0
260AA0.430.430.0
261QQ3.33.30.0
262DD11.9611.960.0
263AA0.080.080.0
264GG-2.65-2.650.0
265YY-0.09-0.090.0
266RR6.416.410.0
267MM7.987.980.0
268YY0.790.790.0
269RR8.418.410.0
270KK12.3212.320.0
271SS0.590.590.0
272QQ3.533.530.0
273TT5.265.260.0
274TT1.871.870.0
275GG0.810.810.0
276FF-0.74-0.740.0
277PP-2.74-2.740.0
278SS-3.04-3.040.0
279LL-3.07-3.070.0
280II2.52.50.0
281TT-3.34-3.340.0
282II-3.28-3.280.0
283FF-1.1-1.10.0
284SS-0.13-0.130.0
285AA1.591.590.0
286PP-0.98-0.980.0
287NN9.269.260.0
288YY-3.67-3.670.0
289LL9.289.280.0
290DD14.9914.990.0
291VV6.856.850.0
292YY5.635.630.0
293NN7.687.680.0
294NN-1.79-1.790.0
295KK3.163.160.0
296AA-1.22-1.220.0
297AA-3.09-3.090.0
298VV1.431.430.0
299LL1.181.180.0
300KK15.5315.530.0
301YY0.820.820.0
302EE3.713.710.0
303NN1.291.290.0
304NN-1.18-1.180.0
305VV4.014.010.0
306MM12.0312.030.0
307NN4.874.870.0
308II3.443.440.0
309RR5.475.470.0
310QQ4.14.10.0
311FF-6.43-6.430.0
312NN3.13.10.0
313CC3.373.370.0
314SS3.893.890.0
315PP11.8611.860.0
316HH119.41119.410.0
317PP122.77122.770.0
318XX-37.62-37.620.0
319XX-13.61-13.610.0
320XX-52.46-52.460.0
321FF14.9614.960.0
322PP69.3769.370.0
323PP57.9557.950.0
324SS13.213.20.0
325HH5.715.710.0
326RR8.078.070.0
327LL-3.47-3.470.0
328TT0.410.410.0
329AA-1.25-1.250.0
330KK9.439.430.0
331EE3.133.130.0
332VV-3.21-3.210.0
333FF-2.85-2.850.0
334DD3.543.540.0
335NN7.527.520.0
336DD5.85.80.0
337GG-1.3-1.30.0
338KK4.334.330.0
339PP-5.32-5.320.0
340RR23.9123.910.0
341VV0.330.330.0
342DD11.9711.970.0
343II5.055.050.0
344LL2.472.470.0
345KK-0.02-0.020.0
346AA0.440.440.0
347HH-2.59-2.590.0
348LL-1.52-1.520.0
349MM0.210.210.0
350KK7.267.260.0
351EE3.933.930.0
352GG1.61.60.0
353RR2.872.870.0
354LL-3.98-3.980.0
355EE-0.32-0.320.0
356EE0.60.60.0
357SS6.556.550.0
358VV-2.61-2.610.0
359AA-3.84-3.840.0
360LL4.564.560.0
361RR3.173.170.0
362II-4.69-4.690.0
363II-5.08-5.080.0
364TT1.61.60.0
365EE1.771.770.0
366GG0.530.530.0
367AA-2.62-2.620.0
368SS0.430.430.0
369II1.161.160.0
370LL-2.21-2.210.0
371RR7.17.10.0
372QQ20.4820.480.0
373EE1.531.530.0
374KK8.518.510.0
375NN-2.73-2.730.0
376LL11.4811.480.0
377LL2.392.390.0
378DD2.922.920.0
379II-2.69-2.690.0
380DD0.220.220.0
381AA2.012.010.0
382PP0.340.340.0
383VV2.732.730.0
384TT49.5649.560.0
385VV-2.29-2.290.0
386CC1.421.420.0
387GG0.750.750.0
388DD-8.2-8.20.0
389II2.92.90.0
390HH7.877.870.0
391GG-1.04-1.040.0
392QQ11.6911.690.0
393FF-2.66-2.660.0
394FF2.022.020.0
395DD6.836.830.0
396LL-4.66-4.660.0
397MM0.270.270.0
398KK3.483.480.0
399LL-1.44-1.440.0
400FF-2.51-2.510.0
401EE1.061.060.0
402VV0.80.80.0
403GG2.542.540.0
404GG-2.08-2.080.0
405SS3.833.830.0
406PP0.910.910.0
407AA1.611.610.0
408NN7.827.820.0
409TT1.461.460.0
410RR3.223.220.0
411YY-3.87-3.870.0
412LL-5.18-5.180.0
413FF-5.57-5.570.0
414LL1.931.930.0
415GG-0.64-0.640.0
416DD10.9210.920.0
417YY-2.6-2.60.0
418VV-1.88-1.880.0
419DD7.77.70.0
420RR16.2916.290.0
421GG5.15.10.0
422YY4.894.890.0
423FF-0.45-0.450.0
424SS4.194.190.0
425II-2.92-2.920.0
426EE-1.0-1.00.0
427CC-1.02-1.020.0
428VV-2.96-2.960.0
429LL-5.31-5.310.0
430YY-1.1-1.10.0
431LL-4.78-4.780.0
432WW1.761.760.0
433AA-3.03-3.030.0
434LL-0.42-0.420.0
435KK7.467.460.0
436II-1.37-1.370.0
437LL-1.25-1.250.0
438YY14.3514.350.0
439PP14.8414.840.0
440KK19.1619.160.0
441TT12.6812.680.0
442LL-1.26-1.260.0
443FF-0.88-0.880.0
444LL-0.1-0.10.0
445LL2.962.960.0
446RR-1.37-1.370.0
447GG-0.49-0.490.0
448NN2.312.310.0
449HH2.222.220.0
450EE-1.87-1.870.0
451CC0.560.560.0
452RR2.52.50.0
453HH1.791.790.0
454LL-0.56-0.560.0
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