Analysis of pair 5l35G_5l35D

5l35G vs 5l35D

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] 5l35G vs. 5l35D (unaligned) — interactive
[missing] 5l35G vs. 5l35D (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--0.840.840.860.860.320.310.32---
000--0.860.860.860.860.310.30.31001; 005; 001; 005; 004; 004; 002; 002; 003; 0030.84; 0.84; 0.84; 0.84; 0.83; 0.83; 0.81; 0.81; 0.78; 0.780.84; 0.84; 0.84; 0.84; 0.83; 0.83; 0.81; 0.81; 0.78; 0.78

Aligned per-residue ΔΔG

aln_posaa1aa2E1E2dEdiff
1PP-0.92-0.920.0
2NN0.360.360.0
3NN2.632.630.0
4LL4.64.60.0
5DD5.645.640.0
6SS1.181.180.0
7NN1.361.360.0
8VV1.291.290.0
9SS0.950.950.0
10QQ4.124.120.0
11II0.290.290.0
12VV-0.64-0.640.0
13LL-2.03-2.030.0
14KK3.023.020.0
15KK2.742.740.0
16FF2.762.760.0
17LL-2.93-2.930.0
18PP-3.04-3.040.0
19GG0.130.130.0
20FF4.154.150.0
21MM9.849.840.0
22SS2.772.770.0
23DD4.514.510.0
24LL4.724.720.0
25VV1.311.310.0
26LL-4.17-4.170.0
27AA-1.18-1.180.0
28KK1.891.890.0
29TT-1.07-1.070.0
30VV-0.65-0.650.0
31DD1.421.420.0
32RR2.682.680.0
33QQ5.275.270.0
34LL5.395.390.0
35LL1.881.880.0
36AA2.182.180.0
37GG-0.08-0.080.0
38EE1.411.410.0
39II-3.43-3.430.0
40NN-0.2-0.20.0
41SS1.361.360.0
42SS0.520.520.0
43TT2.072.070.0
44GG0.010.010.0
45DD-0.52-0.520.0
46SS-2.08-2.080.0
47VV-2.12-2.120.0
48SS-1.41-1.410.0
49FF1.131.130.0
50KK0.050.050.0
51RR4.284.280.0
52PP-2.01-2.010.0
53HH-0.45-0.450.0
54QQ0.790.790.0
55FF-2.96-2.960.0
56SS-0.58-0.580.0
57SS-0.04-0.040.0
58LL-1.33-1.330.0
59RR2.082.080.0
60TT2.482.480.0
61PP1.251.250.0
62TT1.311.310.0
63GG-3.29-3.290.0
64DD0.760.760.0
65II1.01.00.0
66SS1.481.480.0
67GG4.194.190.0
68QQ1.791.790.0
69NN1.91.90.0
70KK-0.27-0.270.0
71NN2.012.010.0
72NN1.141.140.0
73LL-0.95-0.950.0
74II2.92.90.0
75SS2.332.330.0
76GG-1.17-1.170.0
77KK2.762.760.0
78AA-0.45-0.450.0
79TT1.91.90.0
80GG8.68.60.0
81RR2.122.120.0
82VV0.320.320.0
83GG-0.99-0.990.0
84NN-0.03-0.030.0
85YY-0.15-0.150.0
86II-3.4-3.40.0
87TT-0.95-0.950.0
88VV5.895.890.0
89AA-2.6-2.60.0
90VV-1.53-1.530.0
91EE-2.1-2.10.0
92YY-2.11-2.110.0
93QQ-0.83-0.830.0
94QQ1.251.250.0
95LL0.470.470.0
96EE-3.34-3.340.0
97EE0.30.30.0
98AA0.070.070.0
99II0.980.980.0
100KK2.082.080.0
101LL0.10.10.0
102NN6.56.50.0
103QQ0.790.790.0
104LL-1.25-1.250.0
105EE1.571.570.0
106EE2.862.860.0
107II-1.61-1.610.0
108LL-5.03-5.030.0
109AA9.449.440.0
110PP8.398.390.0
111VV-1.11-1.110.0
112RR10.8510.850.0
113QQ10.4410.440.0
114RR0.420.420.0
115II3.443.440.0
116VV-0.9-0.90.0
117TT0.830.830.0
118DD0.10.10.0
119LL0.330.330.0
120EE1.241.240.0
121TT-0.32-0.320.0
122EE-0.57-0.570.0
123LL3.393.390.0
124AA-2.76-2.760.0
125HH0.30.30.0
126FF-1.71-1.710.0
127MM-0.95-0.950.0
128MM2.092.090.0
129NN-1.88-1.880.0
130NN1.221.220.0
131GG3.263.260.0
132AA0.20.20.0
133LL-4.42-4.420.0
134SS0.360.360.0
135LL-2.8-2.80.0
136GG-1.41-1.410.0
137SS0.860.860.0
138PP-3.39-3.390.0
139NN2.072.070.0
140TT9.939.930.0
141PP8.968.960.0
142II-1.65-1.650.0
143TT0.240.240.0
144KK3.573.570.0
145WW-2.54-2.540.0
146SS-0.16-0.160.0
147DD-4.08-4.080.0
148VV0.210.210.0
149AA-0.8-0.80.0
150QQ-0.97-0.970.0
151TT-0.34-0.340.0
152AA0.040.040.0
153SS-0.75-0.750.0
154FF-0.83-0.830.0
155LL2.52.50.0
156KK1.941.940.0
157DD3.163.160.0
158LL-4.09-4.090.0
159GG-1.1-1.10.0
160VV-0.36-0.360.0
161NN12.7912.790.0
162EE4.164.160.0
163GG1.351.350.0
164EE8.478.470.0
165NN0.240.240.0
166YY-1.51-1.510.0
167AA-2.21-2.210.0
168VV-3.62-3.620.0
169MM-1.13-1.130.0
170DD1.11.10.0
171PP-1.22-1.220.0
172WW-1.18-1.180.0
173SS-0.22-0.220.0
174AA-2.26-2.260.0
175QQ1.051.050.0
176RR-0.11-0.110.0
177LL-3.68-3.680.0
178AA0.310.310.0
179DD4.164.160.0
180AA-1.12-1.120.0
181QQ-0.43-0.430.0
182TT-0.44-0.440.0
183GG1.411.410.0
184LL0.840.840.0
185HH1.391.390.0
186AA2.232.230.0
187SS1.61.60.0
188DD1.291.290.0
189QQ2.832.830.0
190LL1.871.870.0
191VV3.293.290.0
192RR0.970.970.0
193TT-0.09-0.090.0
194AA-2.4-2.40.0
195WW-4.35-4.350.0
196EE-1.64-1.640.0
197NN0.380.380.0
198AA-0.56-0.560.0
199QQ0.830.830.0
200II0.580.580.0
201PP-1.61-1.610.0
202TT3.153.150.0
203NN-0.27-0.270.0
204FF-1.72-1.720.0
205GG-1.9-1.90.0
206GG-2.63-2.630.0
207II-1.06-1.060.0
208RR5.825.820.0
209AA0.280.280.0
210LL-1.83-1.830.0
211MM3.553.550.0
212SS0.50.50.0
213NN5.025.020.0
214GG3.583.580.0
215LL1.441.440.0
216AA-0.56-0.560.0
217SS-0.27-0.270.0
218RR-0.88-0.880.0
219TT2.052.050.0
220QQ3.423.420.0
221GG4.044.040.0
222AA1.471.470.0
223FF-1.81-1.810.0
224GG-0.27-0.270.0
225GG-1.17-1.170.0
226TT4.974.970.0
227LL-3.21-3.210.0
228TT-2.02-2.020.0
229VV-0.77-0.770.0
230KK-0.58-0.580.0
231TT0.530.530.0
232QQ1.371.370.0
233PP-2.66-2.660.0
234TT1.291.290.0
235VV-0.61-0.610.0
236TT0.710.710.0
237YY0.740.740.0
238NN5.525.520.0
239AA0.910.910.0
240VV-0.6-0.60.0
241KK1.211.210.0
242DD1.21.20.0
243SS1.571.570.0
244YY2.912.910.0
245QQ-0.56-0.560.0
246FF-0.99-0.990.0
247TT-0.42-0.420.0
248VV-2.31-2.310.0
249TT1.641.640.0
250LL-0.55-0.550.0
251TT0.070.070.0
252GG-1.42-1.420.0
253AA-1.35-1.350.0
254TT7.097.090.0
255AA4.194.190.0
256SS2.472.470.0
257VV-0.16-0.160.0
258TT2.812.810.0
259GG-1.02-1.020.0
260FF-1.89-1.890.0
261LL-2.58-2.580.0
262KK-0.12-0.120.0
263AA-2.01-2.010.0
264GG-3.21-3.210.0
265DD3.133.130.0
266QQ-0.26-0.260.0
267VV-3.95-3.950.0
268KK-0.67-0.670.0
269FF-0.94-0.940.0
270TT2.062.060.0
271NN0.20.20.0
272TT3.083.080.0
273YY-0.75-0.750.0
274WW-4.07-4.070.0
275LL0.350.350.0
276QQ8.628.620.0
277QQ-0.18-0.180.0
278QQ2.442.440.0
279TT4.264.260.0
280KK-2.78-2.780.0
281QQ2.782.780.0
282AA-2.3-2.30.0
283LL-3.54-3.540.0
284YY-1.36-1.360.0
285NN-1.96-1.960.0
286GG0.990.990.0
287AA1.451.450.0
288TT4.194.190.0
289PP0.970.970.0
290II-2.28-2.280.0
291SS-1.32-1.320.0
292FF-4.08-4.080.0
293TT-0.37-0.370.0
294AA-1.77-1.770.0
295TT-2.18-2.180.0
296VV-4.5-4.50.0
297TT1.11.10.0
298AA0.910.910.0
299DD-1.17-1.170.0
300AA0.440.440.0
301NN-0.93-0.930.0
302SS-0.89-0.890.0
303DD4.444.440.0
304SS3.853.850.0
305GG1.611.610.0
306GG-2.52-2.520.0
307DD1.671.670.0
308VV-1.71-1.710.0
309TT-0.7-0.70.0
310VV-2.6-2.60.0
311TT-2.15-2.150.0
312LL-5.71-5.710.0
313SS-0.22-0.220.0
314GG-2.28-2.280.0
315VV2.612.610.0
316PP9.779.770.0
317II4.384.380.0
318YY-0.94-0.940.0
319DD-2.55-2.550.0
320TT3.743.740.0
321TT3.223.220.0
322NN1.841.840.0
323PP-2.32-2.320.0
324QQ6.826.820.0
325YY-3.71-3.710.0
326NN-2.98-2.980.0
327SS3.353.350.0
328VV8.188.180.0
329SS-0.68-0.680.0
330RR3.043.040.0
331QQ7.227.220.0
332VV-1.01-1.010.0
333EE4.184.180.0
334AA1.421.420.0
335GG-1.46-1.460.0
336DD-1.99-1.990.0
337AA-0.26-0.260.0
338VV-3.31-3.310.0
339SS-1.65-1.650.0
340VV-2.94-2.940.0
341VV-0.84-0.840.0
342GG-1.61-1.610.0
343TT4.964.960.0
344AA2.762.760.0
345SS1.981.980.0
346QQ0.710.710.0
347TT4.54.50.0
348MM0.060.060.0
349KK3.273.270.0
350PP-2.77-2.770.0
351NN-1.42-1.420.0
352LL-2.36-2.360.0
353FF-1.48-1.480.0
354YY-4.54-4.540.0
355NN-0.23-0.230.0
356KK3.673.670.0
357FF7.37.30.0
358FF-2.94-2.940.0
359CC0.370.370.0
360GG-0.23-0.230.0
361LL-2.15-2.150.0
362GG0.950.950.0
363SS0.050.050.0
364II3.363.360.0
365PP-1.75-1.750.0
366LL0.170.170.0
367PP12.3812.380.0
368KK4.04.00.0
369LL2.172.170.0
370HH3.143.140.0
371SS1.271.270.0
372II0.810.810.0
373DD0.760.760.0
374SS-0.92-0.920.0
375AA-0.38-0.380.0
376VV3.563.560.0
377AA1.51.50.0
378TT2.532.530.0
379YY20.0820.080.0
380EE6.226.220.0
381GG-0.19-0.190.0
382FF-1.84-1.840.0
383SS2.062.060.0
384II-0.78-0.780.0
385RR0.620.620.0
386VV-0.9-0.90.0
387HH-1.54-1.540.0
388KK-0.78-0.780.0
389YY8.658.650.0
390AA0.780.780.0
391DD-1.59-1.590.0
392GG2.482.480.0
393DD0.490.490.0
394AA0.480.480.0
395NN-0.96-0.960.0
396VV-1.47-1.470.0
397QQ0.580.580.0
398KK-1.75-1.750.0
399MM-0.35-0.350.0
400RR-2.1-2.10.0
401FF-3.04-3.040.0
402DD1.01.00.0
403LL-1.26-1.260.0
404LL5.355.350.0
405PP-4.78-4.780.0
406AA-2.25-2.250.0
407YY-2.88-2.880.0
408VV7.177.170.0
409CC0.010.010.0
410FF-2.76-2.760.0
411NN-0.63-0.630.0
412PP-2.92-2.920.0
413HH-0.94-0.940.0
414MM-2.52-2.520.0
415GG-2.8-2.80.0
416GG-1.97-1.970.0
417QQ0.640.640.0
418FF-2.8-2.80.0
419FF-3.52-3.520.0
420GG-1.88-1.880.0
421NN9.359.350.0
422PP0.750.750.0
423PP2.82.80.0
424NN1.521.520.0
425NN2.462.460.0
426LL7.337.330.0
427DD3.783.780.0
428SS1.611.610.0
429NN2.792.790.0
430VV-0.22-0.220.0
431SS0.470.470.0
432QQ4.54.50.0
433II-0.1-0.10.0
434VV-1.33-1.330.0
435LL-3.2-3.20.0
436KK6.826.820.0
437KK7.087.080.0
438FF3.53.50.0
439LL1.881.880.0
440PP0.520.520.0
441GG0.630.630.0
442FF6.076.070.0
443MM8.038.030.0
444SS1.181.180.0
445DD-0.47-0.470.0
446LL1.481.480.0
447VV3.643.640.0
448LL-1.03-1.030.0
449AA-1.27-1.270.0
450KK-0.06-0.060.0
451TT-2.16-2.160.0
452VV-0.46-0.460.0
453DD0.690.690.0
454RR6.016.010.0
455QQ1.841.840.0
456LL4.474.470.0
457LL4.314.310.0
458AA2.532.530.0
459GG0.370.370.0
460EE1.281.280.0
461II-2.74-2.740.0
462NN-0.04-0.040.0
463SS0.740.740.0
464SS-0.14-0.140.0
465TT2.392.390.0
466GG1.861.860.0
467DD3.33.30.0
468SS-1.25-1.250.0
469VV-2.06-2.060.0
470SS-1.36-1.360.0
471FF1.281.280.0
472KK-1.0-1.00.0
473RR4.324.320.0
474PP-2.41-2.410.0
475HH-0.43-0.430.0
476QQ-0.1-0.10.0
477FF-2.14-2.140.0
478SS-1.65-1.650.0
479SS-0.58-0.580.0
480LL-0.61-0.610.0
481RR1.691.690.0
482TT4.144.140.0
483PP2.342.340.0
484TT1.521.520.0
485GG-2.81-2.810.0
486DD-0.13-0.130.0
487II1.921.920.0
488SS3.313.310.0
489GG6.036.030.0
490QQ16.7416.740.0
491NN3.863.860.0
492KK-0.19-0.190.0
493NN1.321.320.0
494NN1.311.310.0
495LL-0.8-0.80.0
496II-0.42-0.420.0
497SS2.032.030.0
498GG-0.81-0.810.0
499KK0.360.360.0
500AA-0.44-0.440.0
501TT1.561.560.0
502GG-0.32-0.320.0
503RR0.30.30.0
504VV1.21.20.0
505GG-0.73-0.730.0
506NN-1.9-1.90.0
507YY-0.55-0.550.0
508II-3.26-3.260.0
509TT-1.59-1.590.0
510VV5.615.610.0
511AA-1.94-1.940.0
512VV-1.4-1.40.0
513EE-1.7-1.70.0
514YY-1.64-1.640.0
515QQ0.040.040.0
516QQ1.831.830.0
517LL0.330.330.0
518EE-2.17-2.170.0
519EE6.226.220.0
520AA0.470.470.0
521II3.563.560.0
522KK5.485.480.0
523LL4.174.170.0
524NN8.338.330.0
525QQ1.921.920.0
526LL0.990.990.0
527EE1.471.470.0
528EE5.175.170.0
529II2.12.10.0
530LL9.539.530.0
531AA7.447.440.0
532PP2.912.910.0
533VV1.421.420.0
534RR5.435.430.0
535QQ4.594.590.0
536RR0.640.640.0
537II3.453.450.0
538VV0.350.350.0
539TT-0.77-0.770.0
540DD0.760.760.0
541LL0.250.250.0
542EE1.41.40.0
543TT0.360.360.0
544EE0.590.590.0
545LL2.52.50.0
546AA-1.74-1.740.0
547HH0.860.860.0
548FF2.622.620.0
549MM-0.93-0.930.0
550MM1.971.970.0
551NN-0.44-0.440.0
552NN0.320.320.0
553GG2.372.370.0
554AA1.391.390.0
555LL-5.43-5.430.0
556SS-1.06-1.060.0
557LL1.091.090.0
558GG-2.47-2.470.0
559SS3.743.740.0
560PP-0.33-0.330.0
561NN4.434.430.0
562TT2.662.660.0
563PP2.922.920.0
564II2.342.340.0
565TT0.790.790.0
566KK1.781.780.0
567WW-3.0-3.00.0
568SS0.940.940.0
569DD-2.11-2.110.0
570VV-2.26-2.260.0
571AA-1.97-1.970.0
572QQ-0.35-0.350.0
573TT0.930.930.0
574AA-0.81-0.810.0
575SS0.220.220.0
576FF0.170.170.0
577LL0.740.740.0
578KK1.351.350.0
579DD2.942.940.0
580LL-1.0-1.00.0
581GG-2.31-2.310.0
582VV-0.62-0.620.0
583NN4.074.070.0
584EE1.971.970.0
585GG1.921.920.0
586EE1.291.290.0
587NN-0.9-0.90.0
588YY-4.53-4.530.0
589AA-1.72-1.720.0
590VV-3.57-3.570.0
591MM-0.41-0.410.0
592DD1.751.750.0
593PP-4.39-4.390.0
594WW-0.98-0.980.0
595SS0.210.210.0
596AA-1.7-1.70.0
597QQ2.242.240.0
598RR1.681.680.0
599LL-4.71-4.710.0
600AA-2.07-2.070.0
601DD2.762.760.0
602AA-0.52-0.520.0
603QQ-0.56-0.560.0
604TT-1.84-1.840.0
605GG1.461.460.0
606LL1.591.590.0
607HH2.172.170.0
608AA3.053.050.0
609SS1.651.650.0
610DD1.911.910.0
611QQ5.045.040.0
612LL-0.82-0.820.0
613VV4.24.20.0
614RR2.812.810.0
615TT1.081.080.0
616AA-1.83-1.830.0
617WW-4.53-4.530.0
618EE4.314.310.0
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