Analysis of pair 3l9qB_4rr2D

3l9qB vs 4rr2D

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] 3l9qB vs. 4rr2D (unaligned) — interactive
[missing] 3l9qB vs. 4rr2D (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--0.860.290.860.280.160.10.38---
000--0.850.20.850.2--0.0001; 001; 009; 009; 003; 008; 003; 008; 002; 0020.84; 0.84; 0.82; 0.82; 0.81; 0.81; 0.81; 0.81; 0.80; 0.800.19; 0.21; 0.25; 0.26; 0.22; 0.28; 0.22; 0.28; 0.25; 0.25
001--0.860.20.60.2--0.01001; 001; 009; 009; 008; 008; 002; 003; 002; 0030.86; 0.86; 0.83; 0.83; 0.82; 0.82; 0.81; 0.81; 0.81; 0.810.21; 0.21; 0.24; 0.25; 0.27; 0.26; 0.25; 0.27; 0.24; 0.27
002--0.840.20.840.2--0.01007; 007; 003; 003; 002; 009; 002; 009; 010; 0100.83; 0.83; 0.82; 0.82; 0.81; 0.81; 0.81; 0.81; 0.79; 0.790.26; 0.26; 0.26; 0.26; 0.25; 0.28; 0.23; 0.28; 0.22; 0.22
003--0.830.20.830.2--0.0001; 008; 001; 008; 007; 007; 004; 004; 003; 0030.81; 0.81; 0.81; 0.81; 0.80; 0.80; 0.79; 0.79; 0.78; 0.780.19; 0.23; 0.20; 0.22; 0.25; 0.25; 0.26; 0.26; 0.23; 0.24
004--0.840.20.840.2--0.02008; 008; 001; 001; 004; 004; 003; 003; 006; 0060.83; 0.83; 0.82; 0.82; 0.81; 0.81; 0.80; 0.80; 0.79; 0.790.23; 0.22; 0.17; 0.20; 0.27; 0.27; 0.27; 0.26; 0.26; 0.26
005--0.850.210.850.19--0.01001; 001; 010; 003; 010; 003; 006; 009; 006; 0090.83; 0.83; 0.82; 0.82; 0.82; 0.82; 0.81; 0.81; 0.81; 0.810.21; 0.21; 0.27; 0.24; 0.26; 0.24; 0.28; 0.28; 0.28; 0.28
006--0.790.20.790.21--0.0001; 001; 008; 008; 003; 003; 006; 006; 004; 0040.83; 0.83; 0.81; 0.81; 0.80; 0.80; 0.79; 0.79; 0.76; 0.760.19; 0.19; 0.22; 0.27; 0.24; 0.24; 0.25; 0.25; 0.24; 0.24
007--0.570.190.580.2--0.01009; 009; 004; 003; 004; 005; 008; 005; 003; 0080.82; 0.82; 0.81; 0.81; 0.81; 0.81; 0.81; 0.81; 0.81; 0.810.27; 0.27; 0.27; 0.29; 0.27; 0.24; 0.25; 0.24; 0.29; 0.27
008--0.810.210.790.21--0.0001; 007; 001; 007; 005; 005; 003; 003; 006; 0060.84; 0.83; 0.83; 0.83; 0.81; 0.81; 0.80; 0.79; 0.78; 0.780.19; 0.27; 0.19; 0.27; 0.29; 0.29; 0.27; 0.27; 0.26; 0.26
009--0.840.280.860.280.00.00.14001; 001; 003; 003; 007; 008; 007; 008; 005; 0050.86; 0.85; 0.84; 0.84; 0.81; 0.81; 0.81; 0.81; 0.80; 0.800.19; 0.19; 0.28; 0.28; 0.27; 0.23; 0.27; 0.23; 0.27; 0.27
010--0.790.220.520.2--0.01003; 003; 005; 005; 009; 009; 001; 001; 010; 0100.84; 0.84; 0.83; 0.83; 0.83; 0.83; 0.82; 0.82; 0.81; 0.810.25; 0.26; 0.26; 0.26; 0.28; 0.26; 0.22; 0.22; 0.27; 0.27
011--0.770.20.770.22--0.0006; 007; 007; 006; 005; 005; 009; 008; 009; 0080.83; 0.83; 0.83; 0.83; 0.82; 0.82; 0.81; 0.81; 0.81; 0.810.27; 0.27; 0.27; 0.27; 0.27; 0.28; 0.25; 0.27; 0.26; 0.27
012--0.850.20.850.2--0.0002; 002; 003; 003; 004; 004; 009; 008; 007; 0080.85; 0.85; 0.83; 0.83; 0.82; 0.82; 0.81; 0.81; 0.81; 0.810.27; 0.27; 0.28; 0.28; 0.27; 0.28; 0.24; 0.27; 0.20; 0.27
013--0.860.230.860.240.00.00.04001; 001; 002; 002; 005; 005; 007; 007; 008; 0080.85; 0.85; 0.81; 0.81; 0.80; 0.80; 0.78; 0.78; 0.77; 0.770.22; 0.25; 0.24; 0.24; 0.27; 0.27; 0.23; 0.23; 0.24; 0.24

Aligned per-residue ΔΔG

aln_posaa1aa2E1E2dEdiff
1N-4.74--
2-M-4.69-
3-E-11.72-
4-T-6.61-
5-F--0.13-
6-D-6.78-
7-P--1.74-
8-T-6.37-
9-E--1.87-
10-L-18.56-
11-P--0.25-
12-E-2.31-
13-L-1.1-
14-L--5.15-
15-K-7.07-
16-L-0.86-
17-Y--7.02-
18-Y--4.48-
19-R-8.28-
20-R-10.68-
21-L-0.86-
22-F-15.2-
23-P-29.4-
24-Y--0.96-
25SS9.494.085.41
26-Q-2.73-
27-Y--1.18-
28-Y--0.25-
29-R-2.42-
30-W-3.56-
31-L--3.81-
32-N-2.27-
33-Y--2.03-
34-G-0.71-
35-G--0.27-
36-V-8.51-
37-I-8.42-
38-K-27.2-
39-N-26.8-
40-Y-7.26-
41-F--1.2-
42-Q-14.66-
43-H--0.5-
44-R--2.89-
45-E--3.44-
46-F--3.12-
47SS0.420.030.4
48-F-2.59-
49-T--0.55-
50LL1.392.36-0.97
51-K-11.22-
52DD2.620.81-18.21
53Q-2.93--
54-D-6.29-
55II-2.914.49-17.38
56-Y-3.65-
57-I-11.16-
58-R-12.27-
59-Y-0.47-
60-Q-7.08-
61-S-1.69-
62-F-3.92-
63-N--0.36-
64-N--0.05-
65-Q-4.58-
66-S-2.01-
67DD-3.482.27-5.75
68L-2.23--
69LL-2.616.91-9.52
70-E-1.66-
71-K-2.35-
72-E-3.31-
73-M-19.13-
74-Q-0.2-
75-K-13.2-
76-M-2.9-
77-N-8.52-
78-P-2.36-
79-Y-7.73-
80-K-0.91-
81-I-1.68-
82-D-2.33-
83-I--1.09-
84-G--2.95-
85-A--1.45-
86-V--4.75-
87-Y--3.66-
88SS-0.642.66-3.3
89-H-1.97-
90-R-8.07-
91-P-0.42-
92-N-8.45-
93-Q-7.87-
94-H-2.87-
95-N-5.67-
96TT2.263.77-1.5
97-V-1.69-
98KK0.5710.32-9.75
99S--0.12--
100-L-4.91-
101-G--0.74-
102-A-2.08-
103FF-0.550.06-0.61
104P--6.14--
105-Q-3.75-
106-A--1.88-
107-Q-5.12-
108-E-6.53-
109-K-2.06-
110-E--2.75-
111-L--2.92-
112-V--2.15-
113-F--4.99-
114-D-1.05-
115-I-1.36-
116-D-1.28-
117-M--0.76-
118-T-7.18-
119-D-0.06-
120-Y--2.69-
121-D-2.81-
122-D-2.45-
123-V-17.03-
124-R-7.13-
125-R-3.52-
126-C-28.57-
127-C-18.71-
128-S-3.4-
129-S-4.45-
130-A-2.18-
131-D-0.42-
132-I-3.58-
133-C-5.94-
134PP-5.371.68-7.05
135-K-0.26-
136CC3.154.53-1.38
137-W-0.48-
138-T-2.79-
139-L--3.32-
140MM-1.97-2.670.7
141-T--0.28-
142-M--2.88-
143-A-1.29-
144-I--2.26-
145RR-5.01-0.85-4.15
146Q-0.75--
147-I--1.27-
148-I--4.02-
149-D--1.24-
150-R-3.23-
151-A--0.66-
152LL-3.82-5.111.29
153-K-2.82-
154-E--1.44-
155-D--1.61-
156-F--4.36-
157-G--1.42-
158-F--1.77-
159-K--0.97-
160HH-3.833.59-7.42
161-R-1.71-
162-L--2.92-
163-W--5.85-
164-V--3.81-
165-Y--1.35-
166-S--2.03-
167-G--1.5-
168-R-11.74-
169-R-6.35-
170-G--2.87-
171-V--3.8-
172-H--0.33-
173-C-0.36-
174-W--3.58-
175-V--0.35-
176-C-0.07-
177-D--2.08-
178-E-18.67-
179-S-12.45-
180-V-0.3-
181-R-16.24-
182KK2.2-0.692.89
183-L--3.58-
184-S--0.02-
185-S-1.18-
186AA-2.98-0.77-2.22
187-V--1.77-
188-R-1.46-
189-S-2.61-
190-G-1.52-
191-I--2.79-
192-V--0.69-
193-E-1.74-
194-Y--1.3-
195LL-4.6-5.590.99
196-S-1.07-
197-L-3.38-
198-V--0.44-
199-K-8.79-
200-G-2.93-
201-G-0.07-
202-Q-8.94-
203-D-5.19-
204-V-3.25-
205-K-2.85-
206-K-5.43-
207-K--1.72-
208-V--1.08-
209-H-1.2-
210-L--3.85-
211-S-1.73-
212-E-1.49-
213-K-18.0-
214-I-1.72-
215-H--4.28-
216-P--0.82-
217-F-0.49-
218-I--1.83-
219RR1.630.750.87
220-K-5.68-
221-S-2.4-
222-I--0.93-
223-N-2.59-
224-I-0.98-
225-I--0.99-
226-K-5.23-
227-K-4.43-
228-Y-0.01-
229-F--1.64-
230EE-1.53.59-5.09
231-E-3.98-
232-Y--1.33-
233-A--2.16-
234-L--3.29-
235-V-0.37-
236NN-0.632.22-2.85
237-Q--3.23-
238-D-12.76-
239-I-8.07-
240-L--0.32-
241-E-25.36-
242-N-16.03-
243-K-13.35-
244-E-4.27-
245-S-4.12-
246-W-4.37-
247-D-5.64-
248-K-6.72-
249-I-9.79-
250-L--0.62-
251-A--0.93-
252-L--0.47-
253-V-28.45-
254-P-6.96-
255-E-3.68-
256-T-1.79-
257-I-3.58-
258HH-0.181.68-1.87
259-D-4.43-
260-E--0.07-
261-L--2.33-
262-Q-4.88-
263-Q-3.41-
264-S-14.5-
265-F--2.51-
266-Q-9.13-
267-K--0.02-
268-S-0.79-
269HH18.81.9716.82
270-N-2.39-
271-S-1.02-
272LL-3.315.12-18.42
273-Q-1.95-
274RR6.924.862.06
275-W--3.31-
276-E-0.53-
277HH2.553.1-0.55
278G-0.15--
279G-0.35--
280-L-2.46-
281-K-1.39-
282-K-15.78-
283-V--0.83-
284-A--2.73-
285-S-0.65-
286RR-0.3312.23-12.56
287-Y-4.04-
288-Q-4.39-
289-N-9.15-
290-W-11.8-
291-L-30.97-
292-E-2.33-
293-W-0.91-
294-E--3.17-
295-I-6.01-
296MM-1.171.32-2.49
297-L--4.26-
298QQ-5.64-1.44-4.2
299YY-3.178.64-11.81
300G--0.75--
301L--2.44--
302-C--0.98-
303FF-4.751.12-5.87
304-P--2.96-
305-R-2.25-
306LL-6.59-2.7-3.89
307-D-1.47-
308-I-6.38-
309-N-0.44-
310-V-16.11-
311-S-1.92-
312KK-2.411.62-4.03
313GG0.161.96-1.8
314II-0.9723.56-24.53
315G--2.49--
316-N-1.68-
317-H--0.45-
318LL-2.171.08-3.25
319-L--0.96-
320-K-3.55-
321-S-8.12-
322-P-1.39-
323-F--4.81-
324-S-1.42-
325-V--0.76-
326-H-2.77-
327-P-2.01-
328-K-7.08-
329TT12.3714.5-2.13
330-G--2.97-
331-R-19.71-
332-I--3.67-
333-S-0.74-
334-V-4.44-
335-P-3.85-
336-I-13.95-
337-D--1.29-
338LL-3.353.26-6.61
339E--0.9--
340QQ-0.232.57-2.8
341-K-4.59-
342-V-15.65-
343-D-1.98-
344-Q-5.56-
345-F-1.08-
346-D-4.78-
347-P--0.57-
348-F-2.06-
349-T-5.39-
350-V-5.59-
351-P-4.78-
352-T-16.16-
353-I--0.22-
354-S-25.35-
355-F-3.3-
356-I-10.47-
357-C-1.97-
358-R-4.88-
359-E-5.03-
360-L-2.13-
361-D-11.74-
362AA-0.695.71-6.4
363-I-29.84-
364-H-10.37-
365-R-23.12-
366-T-5.14-
367-R-6.28-
368-D-14.55-
369-Y-0.82-
370-K--0.4-
371-K-0.62-
372-T-23.14-
373-S-8.2-
374LL-0.872.97-3.83
375Q-2.21--
376-A-5.63-
377-P-8.85-
378-Y--0.57-
379-V-2.13-
380-K-4.03-
381-V--1.45-
382FF3.56-1.224.78
383W-1.89--
384-E--0.48-
385-H-2.02-
386-F--2.17-
387-L-2.87-
388-E-1.11-
389-N-4.43-
390-L-4.52-
391-D--0.75-
392KK0.127.96-7.84
393-S-7.52-
394-R-9.87-
395-K-9.9-
396-G-0.81-
397-E-6.88-
398-L-18.81-
399-L-25.23-
400-K-10.24-
401-K-6.6-
402-S-1.88-
403-D-13.33-
404-X-30.2-
405-F-9.49-
406-Y-2.54-
407-L-18.7-
408QQ33.1720.7512.42
409-P-1.45-
410-P-6.64-
411-S-2.4-
412-E-8.15-
413-N-6.3-
414-I-7.23-
415-S-3.95-
416-L-9.92-
417-I-8.26-
418-E-11.76-
419FF4.821.033.78
420-E-4.92-
421-N-4.82-
422-L-2.25-
423-A-6.86-
424-I-15.64-
425DD-1.341.1-2.44
426-R-17.59-
427-V-16.95-
428KK1.695.25-3.57
429-L--1.59-
430-L--0.7-
431-K-13.63-
432-S-5.01-
433-V-3.13-
434-E-5.81-
435-N-4.93-
436-L-9.98-
437GG-4.575.26-9.82
438-V-12.39-
439-S-2.81-
440YY-1.787.51-9.3
441-V-20.25-
442-K-19.74-
443-G-5.85-
444-T-11.04-
445-E-22.77-
446-Q-7.83-
447-Y-5.34-
448-Q-23.72-
449SS-0.9822.83-23.81
450-K-12.63-
451-L-5.08-
452-E-26.85-
453-S-2.33-
454-E-9.71-
455-L-7.77-
456-R-36.47-
457-K-14.98-
458-L-3.99-
459-K-36.55-
460-F-75.94-
461-P-58.36-
462-R-8.94-
463-R-1.49-
464-R-31.82-
465-D-0.99-
466-H-4.37-
467-I-1.69-
468-S-14.19-
469-H-1.85-
470-F-4.51-
471-I--2.75-
472-L-4.4-
473-R-4.16-
474-L--1.12-
475-A--0.46-
476YY13.4311.322.1
477N--2.49--
478-C-3.21-
479-Q-6.52-
480-S-15.73-
481-E-7.69-
482-E-3.99-
483-L-24.8-
484-R-6.06-
485-R-0.04-
486-W-1.47-
487-F--0.98-
488II-3.741.13-4.88
489-Q-7.84-
490-Q-15.83-
491-E-2.89-
492-M-9.85-
493-D-5.27-
494-L-0.87-
495-L--0.6-
496RR0.333.28-2.95
497H-2.87--
498-F-9.41-
499-R-8.46-
500-F-4.86-
501SS3.76.02-2.32
502-I-11.22-
503-L-10.17-
504-P-0.69-
505-K-0.43-
506-D-8.75-
507-K-8.89-
508-I-4.27-
509-Q-8.48-
510-D-4.02-
511FF33.7610.6923.07
512T-5.29--
513-L-11.3-
514-K-11.37-
515DD4.422.491.93
516Y--0.71--
517-S-14.65-
518-Q-9.1-
519-L-4.49-
520-Q-3.75-
521-F-10.95-
522-E-1.74-
523-A--0.46-
524-I-19.54-
525-S-4.25-
526-D-9.73-
527-E-9.73-
528-E-19.8-
529-K-11.08-
530TT1.7311.25-9.52
531-L-3.16-
532-R-5.36-
533-E-11.74-
534-Q-6.02-
535-E-1.33-
536-I-1.91-
537-V-5.55-
538-A-0.33-
539-S-6.46-
540-S-17.27-
541PP-4.3721.04-25.41
542-S-8.97-
543-L-16.27-
544-S-6.11-
545-G-1.41-
546-L-6.24-
547-K-1.67-
548-L-17.58-
549-G-3.52-
550FF0.827.13-6.32
551-E-1.85-
552SS-3.252.15-5.4
553C--1.82--
554-I-10.33-
555-Y-4.99-
556-K-3.62-
557-I-4.51-
558-P--1.83-
559-F-0.31-
560-A--0.14-
561-D-0.77-
562-A--1.96-
563LL0.737.62-6.89
564-D-13.89-
565-L-1.91-
566-F-1.07-
567-R-5.69-
568-G-1.89-
569-R-3.57-
570KK-0.366.06-6.42
571-V-13.78-
572-Y-12.16-
573-L-2.03-
574-E-5.36-
575-D-1.14-
576-G--2.91-
577-F-0.34-
578-A--2.91-
579-Y-8.09-
580-V-4.65-
581-P--1.78-
582-L-14.92-
583-K-5.35-
584-D--0.93-
585II-3.329.69-13.01
586-V--0.83-
587-A--0.95-
588II-2.725.07-7.78
589-I-1.15-
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1318GG-2.82-1.2-1.61
1319LL-3.421.46-4.88
1320TT0.980.210.77
1321LL-4.36.42-10.72
1322EE-3.6419.35-23.0
1323QQ1.16-0.731.89
1324AA1.03-2.363.39
1325LL5.43-1.066.48
1326QQ0.481.36-0.88
1327FF3.135.34-2.21
1328WW1.93-2.894.82
1329KK1.7-1.813.51
1330QQ6.656.91-0.26
1331EE-1.274.9-6.17
1332FF38.34-1.439.74
1333-I-1.56-
1334-K-5.35-
1335-G-1.11-
1336-K-10.6-
1337-M-1.79-
1338-D-4.29-
1339-P--0.48-
1340-D-4.08-
1341-K-9.74-
1342-F--3.26-
1343-D-5.84-
1344-K-4.96-
1345-G-3.38-
1346-Y-1.79-
1347SS5.245.6-0.36
1348YY2.013.05-1.04
1349NN0.672.34-1.67
1350II-1.13.29-4.39
1351RR-5.0314.01-19.04
1352HH2.894.17-1.28
1353SS-0.652.5-3.14
1354FF2.873.14-0.27
1355-G-3.13-
1356-K-14.23-
1357-E-8.64-
1358-G-2.87-
1359-K-21.43-
1360RR10.0116.68-6.67
1361TT3.3918.79-15.39
1362DD1.1510.21-9.06
1363YY0.444.91-4.48
1364TT2.4218.46-16.04
1365PP4.061.512.55
1366FF0.7410.45-9.71
1367SS-3.21-0.48-2.73
1368CC-1.54-1.0-0.55
1369LL0.85-0.120.97
1370KK1.385.82-4.44
1371II-4.391.97-6.36
1372II-2.720.83-3.55
1373LL-1.260.3-1.56
1374SS1.223.08-1.85
1375NN2.884.92-2.04
1376PP1.737.27-5.54
1377PP-3.723.32-7.05
1378SS-0.320.94-1.26
1379QQ3.289.24-5.96
1380GG-0.980.34-1.32
1381DD-2.990.66-3.65
1382YY0.433.62-3.19
1383HH0.142.01-1.87
1384GG-4.08-3.53-0.55
1385CC24.552.4422.11
1386PP-1.694.63-6.32
1387FF-3.45-0.74-2.71
1388RR3.0217.82-14.8
1389HH18.810.3518.47
1390SS0.740.150.59
1391DD-1.282.07-3.35
1392PP-2.94-1.59-1.35
1393EE-0.413.77-4.18
1394LL-0.551.57-2.12
1395LL-4.73-3.44-1.29
1396KK-2.180.68-2.86
1397QQ-2.619.94-12.55
1398KK1.589.25-7.67
1399LL-6.31-3.96-2.36
1400QQ-1.493.68-5.17
1401SS-0.03-0.880.85
1402YY-0.12.13-2.23
1403KK0.64-0.180.82
1404II-2.66-2.840.19
1405SS-1.431.09-2.52
1406PP-1.20.01-1.22
1407GG1.482.4-0.91
1408GG-0.65-0.16-0.49
1409II-3.0-2.41-0.59
1410SS1.050.930.12
1411QQ1.696.25-4.56
1412II-5.173.16-8.33
1413LL-3.01.0-4.0
1414DD-1.251.65-2.9
1415LL-2.62-0.45-2.17
1416VV-2.0-0.39-1.62
1417KK-0.792.72-3.51
1418GG-0.111.17-1.28
1419TT2.529.42-26.92
1420HH2.120.731.39
1421YY-0.436.31-6.74
1422QQ0.489.14-8.66
1423VV0.242.22-1.98
1424AA-4.61-3.55-1.06
1425CC0.1110.25-10.15
1426QQ0.3921.98-21.59
1427KK0.746.97-6.23
1428YY-5.18-3.42-1.76
1429FF-2.96-4.121.16
1430EE-3.528.68-12.2
1431MM2.031.690.34
1432II-1.214.4-5.61
1433HH4.522.61.92
1434NN-1.1-1.40.3
1435VV-0.43-1.060.63
1436DD-0.083.37-3.46
1437DD0.111.92-1.81
1438CC0.812.99-2.17
1439GG-1.58-1.940.36
1440FF-3.54-0.47-3.07
1441SS0.011.6-1.59
1442LL-0.56-0.06-0.5
1443NN-1.5612.64-14.21
1444HH6.06-0.826.89
1445PP-4.64-0.93-3.71
1446NN0.634.86-4.23
1447QQ-1.081.72-2.8
1448FF-4.16-0.26-3.9
1449FF-4.41-3.67-0.74
1450CC1.493.62-2.14
1451EE-2.620.14-2.76
1452SS4.57-0.164.73
1453QQ0.762.68-1.92
1454RR-0.943.44-4.38
1455II-0.965.59-6.55
1456LL-0.090.56-0.65
1457NN0.033.85-3.82
1458G-1.33--
1459X--5.56--
1460X--2.5--
1461X--2.99--
1462X--4.25--
1463XX-5.13-3.61-1.52