Analysis of pair 3lowA_3m1bF

3lowA vs 3m1bF

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] 3lowA vs. 3m1bF (unaligned) — interactive
[missing] 3lowA vs. 3m1bF (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--0.560.320.570.320.280.290.48---
000--0.490.310.510.30.10.120.15002; 002; 004; 001; 005; 005; 001; 004; 007; 0070.51; 0.51; 0.48; 0.48; 0.48; 0.48; 0.48; 0.48; 0.47; 0.470.31; 0.31; 0.33; 0.34; 0.33; 0.33; 0.34; 0.33; 0.30; 0.30
001--0.510.30.540.310.030.030.02002; 002; 001; 001; 004; 004; 008; 008; 003; 0030.50; 0.50; 0.49; 0.49; 0.48; 0.48; 0.47; 0.46; 0.45; 0.450.33; 0.33; 0.32; 0.32; 0.30; 0.30; 0.33; 0.32; 0.32; 0.32
002--0.530.310.540.310.010.010.05002; 003; 003; 002; 001; 001; 009; 009; 010; 0100.55; 0.55; 0.55; 0.55; 0.52; 0.52; 0.48; 0.48; 0.37; 0.370.31; 0.31; 0.31; 0.31; 0.31; 0.31; 0.29; 0.29; 0.23; 0.23
003--0.470.280.450.280.020.020.03004; 004; 003; 001; 003; 001; 006; 006; 002; 0020.48; 0.48; 0.45; 0.45; 0.45; 0.45; 0.44; 0.44; 0.43; 0.430.32; 0.32; 0.32; 0.32; 0.32; 0.32; 0.29; 0.29; 0.31; 0.31
004--0.460.250.480.280.070.070.21001; 001; 003; 003; 002; 002; 004; 007; 004; 0070.53; 0.53; 0.51; 0.51; 0.48; 0.48; 0.47; 0.47; 0.47; 0.470.31; 0.31; 0.31; 0.31; 0.33; 0.33; 0.31; 0.32; 0.31; 0.32
005--0.480.280.430.270.010.010.05002; 002; 001; 001; 010; 004; 010; 004; 006; 0060.54; 0.54; 0.51; 0.51; 0.50; 0.50; 0.50; 0.50; 0.48; 0.480.32; 0.32; 0.31; 0.31; 0.32; 0.32; 0.32; 0.32; 0.30; 0.30
006--0.40.280.410.280.120.110.2002; 002; 005; 006; 005; 006; 003; 003; 001; 0010.49; 0.49; 0.48; 0.48; 0.48; 0.48; 0.46; 0.46; 0.45; 0.450.33; 0.33; 0.32; 0.29; 0.32; 0.29; 0.32; 0.32; 0.32; 0.32
007--0.40.270.370.270.00.00.0006; 005; 006; 005; 007; 010; 007; 010; 009; 0090.49; 0.49; 0.49; 0.49; 0.48; 0.48; 0.48; 0.48; 0.47; 0.470.32; 0.31; 0.32; 0.31; 0.30; 0.28; 0.30; 0.28; 0.33; 0.33
008--0.440.290.430.290.00.00.0008; 008; 002; 002; 005; 005; 001; 001; 010; 0100.52; 0.52; 0.51; 0.51; 0.47; 0.47; 0.46; 0.46; 0.45; 0.450.32; 0.32; 0.32; 0.32; 0.28; 0.28; 0.32; 0.32; 0.30; 0.30
009--0.560.320.560.320.190.20.4001; 001; 008; 008; 009; 009; 003; 003; 010; 0100.57; 0.57; 0.52; 0.52; 0.49; 0.49; 0.47; 0.47; 0.42; 0.420.32; 0.32; 0.32; 0.32; 0.29; 0.29; 0.31; 0.31; 0.27; 0.27
010--0.420.30.440.30.010.010.04001; 003; 004; 004; 003; 001; 002; 008; 007; 0080.51; 0.51; 0.51; 0.51; 0.51; 0.50; 0.48; 0.48; 0.48; 0.480.31; 0.30; 0.31; 0.31; 0.30; 0.31; 0.32; 0.33; 0.33; 0.33
011--0.520.310.530.310.00.00.0003; 003; 002; 002; 001; 001; 006; 006; 009; 0050.53; 0.53; 0.52; 0.52; 0.51; 0.51; 0.46; 0.46; 0.42; 0.420.31; 0.31; 0.32; 0.32; 0.31; 0.31; 0.17; 0.17; 0.30; 0.27
012--0.390.30.350.270.00.00.03009; 009; 002; 002; 005; 005; 004; 004; 006; 0030.49; 0.49; 0.48; 0.48; 0.48; 0.48; 0.47; 0.47; 0.46; 0.460.28; 0.28; 0.34; 0.34; 0.32; 0.32; 0.33; 0.33; 0.31; 0.32
013--0.570.320.570.320.150.160.24001; 001; 002; 002; 007; 007; 004; 004; 003; 0030.55; 0.55; 0.54; 0.54; 0.53; 0.53; 0.51; 0.50; 0.49; 0.490.32; 0.32; 0.32; 0.32; 0.32; 0.32; 0.27; 0.27; 0.29; 0.29
014--0.540.310.540.310.020.020.06004; 004; 001; 001; 002; 002; 006; 006; 005; 0050.55; 0.55; 0.52; 0.52; 0.51; 0.51; 0.50; 0.50; 0.47; 0.470.32; 0.32; 0.32; 0.32; 0.33; 0.33; 0.32; 0.32; 0.29; 0.29
015--0.570.320.570.320.050.050.05002; 002; 001; 001; 005; 005; 003; 003; 008; 0040.52; 0.52; 0.50; 0.50; 0.49; 0.49; 0.46; 0.46; 0.45; 0.440.32; 0.32; 0.33; 0.33; 0.29; 0.29; 0.32; 0.32; 0.18; 0.28
016--0.390.280.40.270.010.010.03001; 001; 004; 004; 006; 006; 002; 002; 008; 0080.50; 0.50; 0.50; 0.49; 0.49; 0.49; 0.48; 0.48; 0.48; 0.480.32; 0.32; 0.32; 0.32; 0.33; 0.33; 0.29; 0.29; 0.33; 0.33
017--0.520.320.510.320.080.080.22009; 001; 001; 009; 002; 002; 006; 006; 004; 0030.50; 0.49; 0.49; 0.49; 0.48; 0.48; 0.47; 0.47; 0.46; 0.460.32; 0.32; 0.32; 0.32; 0.33; 0.33; 0.30; 0.30; 0.29; 0.30
018--0.450.320.430.30.040.040.14005; 005; 001; 003; 003; 001; 007; 007; 010; 0040.49; 0.49; 0.48; 0.48; 0.48; 0.48; 0.47; 0.47; 0.45; 0.450.29; 0.29; 0.33; 0.33; 0.33; 0.33; 0.24; 0.24; 0.32; 0.32
019--0.480.30.480.30.160.150.23006; 006; 004; 004; 001; 001; 002; 002; 009; 0090.50; 0.50; 0.49; 0.49; 0.48; 0.48; 0.47; 0.47; 0.46; 0.460.29; 0.29; 0.32; 0.32; 0.32; 0.32; 0.32; 0.32; 0.28; 0.28

Aligned per-residue ΔΔG

aln_posaa1aa2E1E2dEdiff
1-L-0.83-
2-S-18.39-
3-L--2.11-
4-L-0.75-
5-Y--1.95-
6-H-1.12-
7-L-2.65-
8-T-9.05-
9-A-2.24-
10-V--0.65-
11-S-0.52-
12-S-3.22-
13-P--2.23-
14-A-0.72-
15-P--0.09-
16-G--0.09-
17-T-1.45-
18-P-10.52-
19-A--0.35-
20-F-2.12-
21-W-2.73-
22-V-7.9-
23-S-11.03-
24-G-1.08-
25-W-2.98-
26-L-5.34-
27-G-3.19-
28-P-3.56-
29-Q-6.19-
30-Q-3.7-
31-Y--1.0-
32-L-1.96-
33-S-1.79-
34-Y-5.65-
35-N-11.2-
36-S-2.71-
37-L-10.07-
38-R-11.48-
39-G-2.05-
40-E-5.14-
41-A-1.43-
42-E-5.06-
43-P-0.7-
44-C-3.98-
45-G--0.27-
46-A-0.97-
47-W-4.02-
48-V-3.24-
49-W-3.9-
50-E-5.1-
51-N-3.56-
52-Q-12.95-
53-V-85.76-
54-S-2.41-
55-W-5.14-
56-Y-83.98-
57-W-2.76-
58-E-10.16-
59-K-1.96-
60-E-7.5-
61-T-9.99-
62-T-3.5-
63-D-5.87-
64-L-0.87-
65-R-11.55-
66-I-8.5-
67-K-4.95-
68-E--0.46-
69-K--1.24-
70-L-4.24-
71-F--0.48-
72-L-2.21-
73-E-5.02-
74-A--2.6-
75-F-2.33-
76-K-17.38-
77-A--1.07-
78-L-4.25-
79-G-1.66-
80-G-10.44-
81-K-0.23-
82-G-5.02-
83-P-3.8-
84-Y-9.18-
85-T-1.04-
86-L--2.45-
87-Q-4.66-
88-G--0.13-
89-L-6.33-
90-L-9.34-
91-G--2.78-
92-C-140.63-
93-E-22.4-
94-L-3.03-
95-G-1.59-
96-P-22.7-
97-D-4.38-
98-N-0.36-
99-T-2.91-
100-S--0.06-
101-V-15.26-
102-P--3.81-
103-T-1.98-
104-A-2.99-
105-K-2.46-
106-F--2.45-
107-A--2.82-
108-L-2.0-
109-N--2.3-
110-G--0.48-
111-E-1.18-
112-E-0.6-
113-F-8.77-
114MM6.626.84-0.21
115-N-2.04-
116-F--1.92-
117-D-1.53-
118-L-4.44-
119-K-0.09-
120-Q-5.99-
121-G-2.19-
122-T-6.61-
123-W-2.76-
124-G-3.25-
125-G-3.27-
126-D-5.06-
127-W-2.92-
128-P-1.44-
129-E-10.03-
130-A-0.63-
131-L-3.95-
132-A--0.01-
133II35.411.4233.99
134-S-0.07-
135QQ5.436.64-1.21
136RR11.0918.35-7.26
137-W-2.14-
138-Q-2.9-
139-Q-2.11-
140-Q-3.64-
141-D-4.76-
142-K-3.01-
143-A-1.26-
144-A--0.13-
145-N-9.73-
146-K-1.5-
147-E-11.49-
148-L-1.56-
149TT12.472.1410.33
150-F-2.72-
151-L-11.93-
152-L-0.73-
153-F-3.81-
154-S-1.86-
155-C-160.61-
156PP-0.6214.38-15.0
157-H-17.2-
158-R-8.26-
159-L-0.42-
160-R-11.71-
161-E-7.51-
162-H-5.71-
163-L-6.66-
164-E-3.25-
165-R-9.72-
166-G-0.53-
167-R-12.86-
168-G-2.54-
169-N-3.58-
170-L-18.27-
171-E-8.38-
172-W-10.59-
173KK-0.9612.36-13.32
174-E-3.78-
175-P-0.24-
176-P--3.18-
177-S--0.32-
178-M--0.84-
179-R-9.89-
180-L-1.82-
181-K-1.06-
182-A-1.69-
183-R-1.77-
184-P--2.73-
185-S-427.95-
186-S-802.73-
187-P-5.25-
188-G-47.19-
189-F-1225.21-
190-S--1.92-
191-V-3.91-
192-L-6.9-
193-T-7.82-
194-C-338.82-
195-S--0.02-
196-A-0.22-
197-F-1.73-
198-S-6.7-
199-F--2.27-
200-Y--1.01-
201-P-19.44-
202-P-0.18-
203-E-4.36-
204-L-3.91-
205-Q-0.55-
206-L-3.53-
207-R-0.5-
208-F--1.41-
209-L-8.82-
210-R-1.48-
211-N-3.11-
212-G-2.35-
213-L-4.17-
214-A-3.41-
215-A-3.49-
216-G-1.44-
217-T-4.82-
218-G-6.78-
219-Q-2.54-
220-G-4.2-
221-D-8.04-
222-F-6.42-
223-G--0.49-
224-P-0.77-
225-N-3.69-
226-S-8.73-
227-D-3.61-
228-G-0.2-
229-S-0.52-
230-F--3.8-
231-H-0.54-
232-A--1.51-
233-S--0.73-
234-S--1.01-
235-S-5.66-
236-L-11.5-
237-T--0.49-
238-V--1.96-
239-K-9.38-
240-S-2.54-
241-G-0.83-
242-D-10.1-
243-E-30.32-
244-H-3.26-
245-H-3.03-
246-Y-7.89-
247-C-5.2-
248-C-350.06-
249II-1.83.92-5.71
250-V--2.72-
251QQ0.71-0.150.86
252-H-8.81-
253-A-0.54-
254-G-1.21-
255-L-9.58-
256-A-2.4-
257-Q-15.95-
258-P-2.45-
259-L-4.22-
260-R-8.08-
261VV-3.245.69-8.93
262-E-2.78-
263-L--0.5-
264-I-2.86-
265-Q-10.94-
266-R-3.54-
267-T-4.72-
268-P-8.25-
269-K-3.42-
270-I-17.88-
271-Q-0.46-
272-V-2.21-
273YY-1.95-2.480.53
274SS1.861.780.08
275RR2.338.28-5.95
276HH17.849.048.79
277PP7.88-1.319.19
278AA2.121.880.24
279EE0.986.11-5.13
280NN11.989.832.15
281GG-1.57-1.12-0.46
282KK20.424.7915.62
283SS8.43-0.018.43
284NN10.716.124.59
285FF3.099.61-6.51
286LL14.810.5514.27
287NN0.791.36-0.57
288CC-1.07376.25-377.32
289YY-0.483.23-3.72
290VV8.5919.86-11.27
291SS1.56.8-5.29
292GG-0.7-1.480.78
293FF-3.870.58-4.44
294HH3.678.1-4.43
295PP3.246.39-3.15
296SS0.828.68-7.86
297DD3.312.36-9.06
298II-1.0735.83-36.9
299EE0.218.57-8.36
300VV-2.98-0.1-2.89
301DD-0.816.29-7.11
302LL-4.82-3.13-1.69
303LL-4.022.49-6.51
304KK4.875.69-0.81
305NN-2.075.28-7.35
306GG-1.371.16-2.54
307EE0.371.38-1.02
308RR4.32.042.26
309II-1.872.13-4.0
310EE5.360.914.46
311KK12.961.2711.69
312VV-1.821.95-3.77
313EE0.6811.19-10.51
314HH2.024.07-2.05
315SS0.380.67-0.29
316DD1.423.54-2.13
317LL1.459.05-7.59
318SS-1.63-0.74-0.9
319FF-1.747.2-8.94
320SS-0.433.32-3.74
321KK3.833.60.23
322DD2.53.72-1.22
323WW5.590.235.36
324SS3.342.21.14
325FF-5.383.69-9.07
326YY0.373.6-3.22
327LL0.3112.89-12.58
328LL-2.28-1.14-1.14
329YY-1.982.29-4.27
330YY-2.43-1.53-0.9
331TT-0.040.33-0.36
332EE3.93-0.34.23
333FF0.576.46-5.89
334TT4.1712.41-8.25
335PP-1.1927.71-28.91
336TT3.928.09-4.17
337EE2.956.73-3.79
338KK3.583.85-0.27
339DD0.661.27-0.61
340EE0.820.190.62
341YY-4.782.0-6.78
342AA-3.170.84-4.01
343CC-1.73379.43-381.16
344RR-1.258.77-10.02
345VV-4.82-0.18-4.65
346NN2.192.59-0.4
347HH-1.2810.44-11.73
348VV3.144.83-1.69
349TT-0.2-0.30.1
350LL-1.155.43-6.58
351SS3.093.6-0.51
352QQ6.116.22-0.11
353PP-3.81-1.76-2.05
354KK4.650.134.52
355II-1.142.31-3.45
356VV-3.140.94-4.08
357KK4.32-0.825.15
358WW-1.722.45-4.17
359DD9.483.785.7
360RR1.878.04-6.18
361DD1.012.59-1.58
362MM11.2911.37-0.08
363X-0.43--
364-L-1.8-
365-S-0.55-
366-L-8.76-
367-L-3.34-
368-Y-0.72-
369-H-1.66-
370-L-5.12-
371-T-0.2-
372-A-2.11-
373-V-1.07-
374-S-0.31-
375-S-4.46-
376-P--0.97-
377-A-2.81-
378-P-0.61-
379-G-1.26-
380-T-11.39-
381-P-13.23-
382-A-0.86-
383-F-11.3-
384-W-8.06-
385-V-4.95-
386-S-5.93-
387-G-0.48-
388-W--0.34-
389-L-4.95-
390-G-8.62-
391-P-18.8-
392-Q-21.64-
393-Q-3.43-
394-Y-6.65-
395-L--1.04-
396-S-1.94-
397-Y-1.76-
398-N-7.27-
399-S-8.83-
400-L-13.89-
401-R-8.66-
402-G--2.21-
403-E-7.82-
404-A--0.69-
405-E-0.22-
406-P-3.07-
407-C-7.49-
408-G-0.42-
409-A-0.2-
410-W-4.42-
411-V-7.26-
412-W-3.07-
413-E-9.91-
414-N-2.44-
415-Q-11.29-
416-V-5.27-
417-S-5.52-
418-W-11.01-
419-Y-0.83-
420-W--0.77-
421-E-7.1-
422-K-2.02-
423-E-3.64-
424-T-3.42-
425-T-8.74-
426-D-15.64-
427-L-4.54-
428-R-3.04-
429-I-4.92-
430-K-7.38-
431-E--0.97-
432-K-1.51-
433-L-2.63-
434-F-0.55-
435-L-1.41-
436-E-0.49-
437-A--2.71-
438-F--1.51-
439-K-8.78-
440-A--1.49-
441-L-7.32-
442-G-1.76-
443-G-4.42-
444-K-0.61-
445-G-1.84-
446-P-19.71-
447-Y--2.13-
448-T-4.4-
449-L--3.14-
450-Q--0.59-
451-G--0.32-
452-L-1.9-
453-L-12.05-
454-G--3.55-
455-C-144.66-
456-E-6.15-
457-L-15.36-
458-G-0.67-
459-P-37.89-
460-D-6.38-
461-N-1.24-
462-T-18.48-
463-S--0.13-
464-V-14.11-
465-P-6.44-
466-T-7.64-
467-A-0.53-
468-K-2.61-
469-F-2.31-
470-A--2.61-
471-L-7.39-
472-N-2.83-
473-G--0.52-
474-E--0.32-
475-E-1.57-
476-F-2.79-
477MM4.178.03-3.85
478-N-5.65-
479-F--2.54-
480-D-0.53-
481-L-16.89-
482-K-0.28-
483-Q-6.96-
484-G--0.78-
485-T-15.15-
486-W--0.41-
487-G-1.6-
488-G--0.49-
489-D-11.87-
490-W-8.46-
491-P-9.29-
492-E-2.47-
493-A-0.38-
494-L-4.1-
495-A--0.42-
496II7.391.086.32
497-S-4.16-
498QQ1.819.21-7.4
499RR18.222.515.73
500-W--1.26-
501-Q-3.3-
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