Analysis of pair 1zk9A_3jv6A

1zk9A vs 3jv6A

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] 1zk9A vs. 3jv6A (unaligned) — interactive
[missing] 1zk9A vs. 3jv6A (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--0.490.980.490.980.390.370.5---
000--0.490.970.490.970.010.010.02001; 001; 007; 007; 002; 002; 009; 009; 006; 0060.48; 0.48; 0.46; 0.46; 0.43; 0.43; 0.41; 0.41; 0.40; 0.400.96; 0.96; 0.89; 0.89; 0.83; 0.83; 0.52; 0.52; 0.81; 0.81
001--0.490.980.50.980.00.00.01001; 001; 003; 003; 009; 009; 006; 002; 002; 0060.49; 0.49; 0.47; 0.47; 0.42; 0.42; 0.40; 0.40; 0.40; 0.390.97; 0.97; 0.85; 0.87; 0.82; 0.81; 0.80; 0.81; 0.81; 0.78
002--0.490.980.50.970.00.00.01001; 001; 003; 003; 008; 002; 002; 008; 004; 0040.49; 0.49; 0.48; 0.48; 0.45; 0.45; 0.45; 0.45; 0.44; 0.440.95; 0.95; 0.93; 0.93; 0.89; 0.88; 0.88; 0.89; 0.85; 0.85
003--0.490.970.50.970.00.00.01001; 001; 003; 002; 003; 002; 004; 004; 010; 0100.48; 0.48; 0.47; 0.47; 0.47; 0.47; 0.41; 0.41; 0.40; 0.400.95; 0.95; 0.95; 0.94; 0.95; 0.94; 0.42; 0.42; 0.41; 0.41
004--0.440.910.440.920.00.00.0004; 004; 003; 001; 003; 001; 009; 006; 010; 0060.51; 0.51; 0.48; 0.48; 0.48; 0.48; 0.44; 0.44; 0.44; 0.440.96; 0.96; 0.96; 0.96; 0.96; 0.96; 0.85; 0.84; 0.84; 0.84
005--0.380.770.380.780.040.040.11002; 003; 003; 002; 006; 008; 008; 006; 007; 0010.45; 0.45; 0.45; 0.45; 0.44; 0.44; 0.44; 0.44; 0.43; 0.430.89; 0.87; 0.87; 0.89; 0.88; 0.69; 0.69; 0.88; 0.87; 0.86
006--0.490.980.460.940.310.290.17001; 001; 003; 002; 003; 002; 007; 007; 008; 0080.49; 0.49; 0.48; 0.48; 0.48; 0.48; 0.46; 0.46; 0.45; 0.450.98; 0.98; 0.95; 0.95; 0.95; 0.95; 0.91; 0.91; 0.91; 0.91
007--0.510.970.50.970.010.030.01001; 002; 002; 001; 004; 004; 003; 007; 003; 0070.49; 0.49; 0.49; 0.49; 0.48; 0.48; 0.46; 0.46; 0.46; 0.460.95; 0.91; 0.91; 0.95; 0.90; 0.90; 0.90; 0.89; 0.90; 0.89
008--0.490.980.50.980.10.090.04001; 001; 002; 002; 007; 007; 008; 008; 004; 0040.53; 0.53; 0.51; 0.51; 0.48; 0.48; 0.45; 0.45; 0.41; 0.410.96; 0.96; 0.94; 0.94; 0.96; 0.96; 0.90; 0.90; 0.83; 0.84
009--0.410.80.460.940.00.020.01004; 004; 002; 001; 007; 006; 001; 007; 002; 0100.49; 0.49; 0.48; 0.48; 0.48; 0.48; 0.48; 0.48; 0.48; 0.480.90; 0.90; 0.95; 0.95; 0.95; 0.95; 0.95; 0.95; 0.95; 0.91
010--0.420.820.420.820.020.020.02009; 010; 009; 010; 002; 003; 003; 002; 005; 0010.45; 0.45; 0.45; 0.45; 0.44; 0.44; 0.44; 0.44; 0.43; 0.430.87; 0.87; 0.87; 0.87; 0.87; 0.60; 0.60; 0.87; 0.84; 0.86
011--0.490.970.530.980.00.00.0001; 001; 004; 004; 002; 002; 010; 010; 005; 0050.52; 0.52; 0.47; 0.47; 0.45; 0.45; 0.43; 0.43; 0.42; 0.420.95; 0.95; 0.88; 0.88; 0.85; 0.84; 0.84; 0.84; 0.84; 0.84
012--0.470.950.50.970.020.020.01001; 003; 001; 003; 004; 004; 002; 002; 006; 0060.47; 0.47; 0.47; 0.46; 0.42; 0.42; 0.41; 0.40; 0.38; 0.380.94; 0.63; 0.94; 0.63; 0.84; 0.84; 0.81; 0.80; 0.58; 0.58
013--0.330.660.380.740.00.00.0003; 003; 002; 001; 004; 005; 001; 008; 008; 0050.45; 0.45; 0.44; 0.44; 0.44; 0.44; 0.44; 0.44; 0.44; 0.440.88; 0.88; 0.86; 0.87; 0.84; 0.85; 0.87; 0.84; 0.84; 0.85
014--0.350.710.350.720.10.090.05002; 002; 003; 001; 007; 006; 008; 007; 001; 0080.45; 0.45; 0.44; 0.44; 0.44; 0.44; 0.44; 0.44; 0.44; 0.440.87; 0.87; 0.86; 0.88; 0.87; 0.77; 0.85; 0.87; 0.88; 0.85
015--0.520.980.50.970.00.00.0004; 004; 006; 006; 009; 009; 001; 003; 001; 0030.51; 0.51; 0.49; 0.49; 0.49; 0.49; 0.48; 0.48; 0.48; 0.480.94; 0.94; 0.95; 0.95; 0.92; 0.92; 0.97; 0.94; 0.97; 0.94
016--0.490.970.490.970.00.00.01005; 005; 010; 010; 004; 003; 002; 001; 003; 0040.48; 0.48; 0.47; 0.47; 0.45; 0.45; 0.45; 0.45; 0.45; 0.450.86; 0.86; 0.88; 0.88; 0.90; 0.87; 0.89; 0.90; 0.87; 0.90
017--0.490.960.50.970.020.020.01004; 004; 002; 001; 003; 001; 003; 002; 005; 0050.49; 0.49; 0.48; 0.48; 0.48; 0.48; 0.48; 0.48; 0.43; 0.430.93; 0.93; 0.93; 0.94; 0.94; 0.94; 0.94; 0.93; 0.50; 0.50
018--0.490.950.50.950.00.020.0004; 005; 004; 005; 003; 003; 001; 001; 002; 0020.50; 0.50; 0.50; 0.50; 0.49; 0.49; 0.48; 0.48; 0.43; 0.430.94; 0.89; 0.94; 0.89; 0.96; 0.96; 0.93; 0.93; 0.87; 0.87
019--0.490.980.490.990.020.020.03003; 005; 003; 005; 001; 001; 002; 002; 010; 0060.50; 0.50; 0.50; 0.50; 0.48; 0.48; 0.47; 0.47; 0.45; 0.450.89; 0.84; 0.89; 0.84; 0.96; 0.96; 0.90; 0.91; 0.74; 0.88

Aligned per-residue ΔΔG

aln_posaa1aa2E1E2dEdiff
1-T-6.73-
2-S-3.72-
3-E-9.51-
4LL9.1915.87-6.68
5-R-1.69-
6-I--2.59-
7-C-3.32-
8-R-3.21-
9-I--1.3-
10-N-0.28-
11-K-2.23-
12-E-1.31-
13-S-1.21-
14-G--0.4-
15-P-0.54-
16-C-3.65-
17-T-3.11-
18-G--1.02-
19-G--2.17-
20-E-2.05-
21-E--0.67-
22-L--1.6-
23-Y-0.29-
24-L-6.58-
25-L--0.1-
26-C--2.93-
27-D-2.47-
28-K-1.26-
29VV2.63-0.232.86
30-Q-5.1-
31-K--1.69-
32-E-4.96-
33-D-3.11-
34-I--0.21-
35-S-0.11-
36-V--3.32-
37-V--4.55-
38-F--4.46-
39-S--2.75-
40-T-8.73-
41-A-1.87-
42-S-0.22-
43-W-3.48-
44-E-9.07-
45-G-2.73-
46-R-17.9-
47-A-0.45-
48-D-0.27-
49-F--2.14-
50-S--0.09-
51-Q-1.86-
52-A-0.8-
53-D--4.74-
54-V--0.61-
55-H-0.54-
56-R-3.07-
57-Q-4.61-
58-I--1.31-
59-A--1.26-
60-I--4.6-
61-V--3.05-
62-F-3.44-
63-K-1.7-
64-T--0.39-
65PP-0.42-3.993.58
66-P--2.08-
67-Y--1.78-
68-E-11.16-
69-D-1.77-
70-L-1.92-
71-E-7.78-
72-I-0.45-
73-S-4.93-
74-E-5.45-
75-P--1.29-
76-V--2.47-
77-T-26.54-
78-V--2.81-
79-N-1.55-
80-V--4.22-
81-F--2.54-
82-L--3.68-
83-Q--1.72-
84RR4.44-0.635.07
85-L-3.06-
86-T-6.76-
87-D--1.65-
88GG1.030.970.06
89-V--0.23-
90-C--0.19-
91SS0.26-0.270.53
92-E-4.29-
93-P-2.78-
94-L-14.63-
95-P-2.09-
96-F--4.49-
97-T-39.52-
98-Y--1.94-
99-L-5.99-
100-P-7.49-
101-R-16.89-
102-X--2.3-
103-A-1.56-
104-S--0.75-
105-N-4.91-
106-L--0.21-
107-K-7.71-
108-I--0.7-
109-S-1.51-
110-R-0.2-
111-M-10.75-
112-D-14.82-
113-K-4.82-
114-T-1.87-
115-A--0.37-
116-G--1.64-
117-S-0.57-
118-V-2.46-
119-R-23.61-
120-G--1.35-
121-G--1.19-
122-D-0.65-
123-E-0.26-
124-V--3.2-
125-Y-7.9-
126-L-4.3-
127-L--3.24-
128-C--2.2-
129-D-9.25-
130-K-7.54-
131-V--1.07-
132-Q-6.59-
133-K-2.72-
134-D-0.95-
135-D--1.46-
136-I-2.46-
137-E-11.03-
138-V--1.19-
139-R-0.01-
140-F--3.67-
141-Y--4.16-
142-E-20.7-
143-D-7.49-
144-D-5.73-
145-E-4.64-
146-N-5.07-
147-G-1.29-
148-W-6.16-
149-Q-0.4-
150-A--0.8-
151-F-7.22-
152-G--0.4-
153-D-4.04-
154-F--0.63-
155-S-0.78-
156-P--2.44-
157-T-3.29-
158-D--2.06-
159-V-0.55-
160HH4.10.113.99
161-K-0.46-
162-Q-2.17-
163-Y--3.25-
164-A--0.54-
165-I--2.83-
166-V--3.21-
167-F--4.29-
168-R--1.66-
169-T-1.96-
170-P--0.78-
171-P--3.35-
172-Y--1.09-
173-H-7.64-
174-K-0.92-
175MM4.447.86-3.41
176-K-3.77-
177-I-4.28-
178-E-4.52-
179-R-94.56-
180-P--1.12-
181-V-5.33-
182-T-3.48-
183-V-2.25-
184-F-7.2-
185-L--0.69-
186-Q-1.94-
187-L--5.38-
188-K--0.47-
189-R-1.25-
190-K-1.07-
191-R-6.04-
192-G-3.26-
193-G--0.09-
194-D-4.67-
195-V-1.14-
196-S-0.9-
197-D-3.16-
198-S-3.49-
199-K-3.6-
200-Q-2.01-
201-F--5.07-
202-T--1.68-
203-Y--4.16-
204-Y-3.08-
205-P--4.11-
206-V-5.86-
207-V-5.84-
208-E-6.67-
209-D-5.17-
210-X--2.06-
211-X--0.29-
212-T-13.31-
213-S-2.19-
214-E-3.22-
215-L-5.22-
216-R-3.06-
217-I--3.16-
218-C-2.22-
219-R-4.35-
220-I--1.18-
221NN2.190.661.53
222-K-1.65-
223-E-1.77-
224-S-9.07-
225-G-1.61-
226-P--2.4-
227-C-2.51-
228TT1.44.35-2.95
229-G--1.0-
230-G-0.65-
231-E-0.43-
232-E-1.03-
233-L-2.05-
234-Y--0.93-
235-L-0.21-
236-L-0.38-
237-C--3.09-
238-D-3.72-
239-K-2.8-
240-V--0.82-
241-Q-4.71-
242-K-3.33-
243-E-6.28-
244-D-6.44-
245-I--0.37-
246SS-0.17-0.210.05
247-V--2.3-
248-V--4.53-
249-F--4.32-
250-S--1.33-
251-T--0.38-
252-A-1.76-
253-S-22.12-
254-W-3.77-
255EE0.649.52-8.88
256-G-3.14-
257-R-20.26-
258-A-1.88-
259-D-1.19-
260-F--2.58-
261-S--0.36-
262-Q-10.42-
263-A-1.75-
264-D--3.89-
265-V--1.82-
266-H-2.62-
267-R-3.73-
268-Q-4.46-
269-I--0.33-
270-A--1.07-
271-I--5.26-
272-V--1.01-
273-F--3.81-
274-K-5.59-
275-T--0.33-
276-P--2.35-
277-P--1.46-
278-Y--1.85-
279-E-4.26-
280-D-1.65-
281LL0.723.03-2.31
282-E-2.28-
283-I-0.6-
284-S-2.15-
285-E-6.85-
286-P-0.63-
287-V--3.01-
288-T-11.86-
289-V-0.36-
290-N-1.28-
291-V--3.65-
292-F-4.29-
293-L--5.96-
294-Q--3.03-
295RR3.283.39-0.11
296-L-6.12-
297-T-12.65-
298-D-1.08-
299-G-0.78-
300-V-5.16-
301-C-0.11-
302-S--1.6-
303-E-1.78-
304-P-2.02-
305-L-17.02-
306-P--0.77-
307-F--0.56-
308-T-11.98-
309-Y--2.3-
310-L-12.35-
311-P-1.89-
312-R-19.59-
313-X--2.06-
314-A-3.5-
315-S-3.77-
316-N-2.7-
317-L--0.87-
318-K-10.29-
319II-0.61-1.871.26
320-S-3.13-
321-R-2.23-
322-M-2.59-
323-D-21.83-
324-K-16.44-
325-T--1.0-
326-A--1.8-
327-G--1.07-
328-S-0.65-
329-V-3.07-
330-R-4.34-
331-G--1.51-
332-G-0.29-
333-D--1.33-
334-E-6.6-
335-V--1.84-
336-Y-8.51-
337-L--3.28-
338-L--3.22-
339CC2.55-1.453.99
340-D-3.75-
341-K-3.5-
342-V-1.57-
343-Q-3.32-
344-K-1.75-
345-D-1.97-
346-D--1.02-
347-I-0.08-
348-E-2.23-
349-V--3.48-
350RR6.692.214.48
351-F--3.64-
352-Y--0.98-
353-E-9.15-
354-D-3.24-
355-D-3.8-
356-E-6.6-
357-N-8.37-
358-G-0.11-
359-W-3.4-
360-Q-2.15-
361-A--1.06-
362-F-5.55-
363-G--1.12-
364-D-1.32-
365-F-0.15-
366-S-2.76-
367-P--1.44-
368-T-5.02-
369-D-1.52-
370-V-3.29-
371-H--0.04-
372-K--0.11-
373-Q-5.61-
374-Y--1.75-
375-A--2.79-
376II1.32-1.963.28
377-V--1.48-
378-F--3.83-
379-R-0.39-
380-T-1.16-
381-P--0.97-
382-P--3.72-
383-Y-0.75-
384-H-2.33-
385-K-0.58-
386-M-7.82-
387-K-13.12-
388-I-2.07-
389-E-4.23-
390-R-5.23-
391-P--3.27-
392-V-0.3-
393-T--1.01-
394-V-6.04-
395-F-4.82-
396-L-3.04-
397-Q-1.58-
398-L--5.59-
399-K-2.49-
400-R-5.74-
401-K--1.83-
402-R-21.21-
403-G-3.74-
404-G-2.0-
405-D-2.14-
406-V-0.23-
407-S-1.49-
408-D-2.45-
409-S-3.24-
410-K--0.11-
411-Q-1.48-
412-F--0.76-
413-T--1.96-
414-Y--4.4-
415-Y-3.94-
416-P-1.83-
417-V-5.19-
418-V-4.02-
419-E-6.17-
420-X--1.65-
421-X--1.65-
422-T-6.61-
423-S-2.54-
424-E-4.52-
425-L-10.36-
426-R-4.79-
427-I--1.31-
428-C-3.45-
429-R-2.07-
430-I-0.56-
431NN0.830.150.68
432KK0.876.48-5.61
433EE4.232.291.94
434SS-0.585.94-6.52
435GG1.151.74-0.59
436PP1.82-2.194.01
437CC4.031.932.1
438TT3.84.72-0.92
439GG-0.41-1.020.62
440GG0.04-2.072.1
441EE-0.31.45-1.75
442EE2.10.361.74
443LL0.548.23-7.69
444YY0.66-0.871.53
445LL-0.253.02-3.27
446LL0.023.54-3.52
447CC0.36-2.853.22
448DD1.713.69-1.98
449KK0.252.86-2.62
450VV-0.850.82-1.67
451QQ4.264.53-0.27
452KK-0.87-1.951.07
453EE3.094.45-1.36
454DD0.241.49-1.25
455II2.780.412.37
456SS-0.60.18-0.77
457VV-2.04-2.380.34
458VV-0.55-1.731.18
459FF2.18-2.885.06
460SS-2.63-1.5-1.12
461TT1.563.05-1.49
462AA1.741.88-0.14
463SS0.521.85-1.32
464WW4.364.130.23
465EE-1.595.32-6.91
466GG0.943.1-2.16
467RR2.538.91-6.38
468AA-0.2-0.890.69
469DD2.467.89-5.43
470FF-0.64-1.731.09
471SS-1.66-0.25-1.41
472QQ0.572.4-1.83
473AA1.321.65-0.33
474DD-3.35-2.7-0.65
475VV-1.16-1.260.1
476HH2.220.12.12
477RR14.23.2310.97
478QQ5.983.92.08
479II2.65-0.262.91
480AA0.77-0.781.56
481II0.46-4.685.13
482VV0.46-1.271.74
483FF0.079.14-9.06
484KK8.982.226.76
485TT0.88-0.261.14
486PP-0.88-3.292.4
487PP-2.720.62-3.34
488YY0.96-1.862.82
489EE2.774.14-1.38
490DD2.00.171.83
491LL0.925.59-4.67
492EE2.622.510.12
493II1.520.41.12
494SS1.242.28-1.05
495EE6.377.81-1.44
496PP-1.68-0.15-1.53
497VV-2.24-2.330.09
498TT30.3715.2815.09
499VV1.87-1.243.11
500NN2.652.430.22
501VV-0.88-4.03.12
502FF-1.42-3.261.84
503LL-1.51-5.714.2
504QQ-2.28-3.481.2
505RR1.778.31-6.54
506LL6.63.013.59
507TT5.243.621.62
508DD-0.651.95-2.6
509GG-1.811.75-3.56
510VV0.994.28-3.28
511CC1.424.45-3.04
512SS-0.7-1.090.39
513EE1.858.93-7.08
514PP-3.167.16-10.32
515LL13.887.396.5
516PP-3.170.26-3.43
517FF-0.64-3.843.19
518TT15.019.35-4.35
519YY-3.26-3.14-0.12
520LL2.1310.66-8.53
521PP-2.473.93-6.39
522RR3.4117.92-14.51
523-X--3.26-
524-A-1.37-
525-S--0.29-
526-N-0.72-
527-L-7.28-
528-K-1.68-
529-I--2.89-
530-S-1.63-
531-R-2.06-
532-M-13.18-
533-D-18.0-
534-K-7.13-
535-T--0.01-
536-A--0.65-
537-G--2.06-
538-S--0.18-
539-V-4.57-
540-R-16.22-
541-G--1.14-
542-G--1.55-
543-D-5.06-
544-E--1.71-
545-V--3.92-
546-Y-15.36-
547-L--2.28-
548-L--4.94-
549-C--1.64-
550-D-5.32-
551-K-4.24-
552-V--1.13-
553-Q-2.81-
554-K-3.79-
555-D-3.89-
556-D--2.17-
557-I-0.96-
558-E-2.24-
559-V--3.17-
560-R--0.39-
561-F--3.2-
562-Y--3.68-
563-E-7.4-
564-D-0.73-
565-D-7.75-
566-E-6.29-
567-N-5.28-
568-G-0.9-
569-W-5.09-
570-Q--0.64-
571-A--1.1-
572-F--0.44-
573-G--0.49-
574-D-0.67-
575-F-0.51-
576-S-0.78-
577-P--1.05-
578-T-12.25-
579-D--2.73-
580-V-5.08-
581-H-0.27-
582-K-1.48-
583-Q-3.6-
584-Y--2.84-
585-A--1.65-
586-I--4.2-
587-V--2.41-
588-F--5.14-
589-R--1.08-
590-T-3.7-
591-P-0.71-
592-P--2.61-
593-Y-1.45-
594-H-2.32-
595-K-2.81-
596-M-9.75-
597-K-4.11-
598-I-0.4-
599-E-1.9-
600-R-10.07-
601-P-3.38-
602-V-0.34-
603-T--0.98-
604-V--3.68-
605-F--1.24-
606-L-5.1-
607-Q-0.91-
608-L--3.29-
609-K-0.92-
610-R-16.14-
611-K-0.91-
612-R-5.99-
613-G-3.26-
614-G--0.33-
615-D-4.14-
616-V-5.38-
617-S-0.17-
618-D-2.46-
619-S-0.98-
620-K-1.16-
621-Q--0.04-
622-F--5.05-
623-T-0.59-
624-Y--2.78-
625-Y-6.53-
626-P--3.68-
627-V-5.2-
628-V-5.66-
629-X--1.51-
630-X--2.3-