Analysis of pair 2mwfA_2nntA

2mwfA vs 2nntA

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] 2mwfA vs. 2nntA (unaligned) — interactive
[missing] 2mwfA vs. 2nntA (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--0.590.20.540.210.00.00.0---
000--0.60.220.540.20.00.00.0004; 005; 004; 005; 001; 001; 003; 003; 002; 0020.57; 0.57; 0.57; 0.57; 0.56; 0.56; 0.53; 0.53; 0.51; 0.510.24; 0.21; 0.24; 0.21; 0.18; 0.18; 0.22; 0.22; 0.22; 0.22
001--0.580.210.50.210.00.00.0004; 004; 003; 003; 001; 001; 002; 002; 008; 0080.58; 0.58; 0.55; 0.55; 0.54; 0.54; 0.49; 0.49; 0.47; 0.470.24; 0.24; 0.21; 0.21; 0.22; 0.22; 0.20; 0.20; 0.21; 0.22
002--0.580.220.540.210.00.00.0001; 001; 003; 003; 002; 002; 007; 007; 004; 0040.58; 0.58; 0.55; 0.55; 0.54; 0.54; 0.52; 0.52; 0.50; 0.500.21; 0.21; 0.22; 0.22; 0.21; 0.22; 0.23; 0.23; 0.20; 0.20
003--0.610.220.540.210.00.050.0002; 002; 005; 003; 005; 003; 001; 001; 009; 0090.58; 0.58; 0.57; 0.57; 0.57; 0.57; 0.54; 0.54; 0.46; 0.460.23; 0.23; 0.22; 0.25; 0.22; 0.25; 0.21; 0.21; 0.22; 0.22
004--0.480.220.440.20.00.00.0002; 004; 002; 005; 005; 004; 006; 006; 001; 0010.56; 0.56; 0.56; 0.56; 0.56; 0.56; 0.52; 0.52; 0.46; 0.460.26; 0.22; 0.26; 0.21; 0.21; 0.22; 0.22; 0.22; 0.18; 0.18
005--0.570.220.530.230.00.00.0001; 001; 002; 002; 005; 003; 005; 003; 006; 0060.56; 0.56; 0.54; 0.54; 0.53; 0.53; 0.53; 0.53; 0.51; 0.510.21; 0.21; 0.21; 0.21; 0.18; 0.18; 0.18; 0.18; 0.23; 0.23
006--0.590.20.560.230.00.00.0002; 002; 003; 003; 001; 001; 004; 004; 008; 0080.57; 0.57; 0.56; 0.56; 0.55; 0.55; 0.53; 0.53; 0.51; 0.500.20; 0.20; 0.21; 0.21; 0.19; 0.19; 0.21; 0.21; 0.21; 0.21
007--0.580.210.540.20.00.00.0006; 006; 003; 003; 002; 002; 001; 001; 005; 0050.58; 0.58; 0.57; 0.57; 0.54; 0.54; 0.52; 0.52; 0.50; 0.500.22; 0.22; 0.21; 0.21; 0.19; 0.19; 0.22; 0.22; 0.19; 0.19
008--0.580.210.530.230.00.00.0004; 004; 003; 002; 003; 002; 005; 005; 001; 0010.59; 0.59; 0.57; 0.57; 0.57; 0.56; 0.52; 0.52; 0.51; 0.510.19; 0.19; 0.24; 0.18; 0.24; 0.18; 0.18; 0.18; 0.20; 0.20
009--0.570.220.520.220.00.00.0001; 001; 004; 004; 005; 003; 003; 005; 008; 0080.52; 0.52; 0.51; 0.51; 0.50; 0.50; 0.50; 0.50; 0.49; 0.480.20; 0.20; 0.18; 0.18; 0.21; 0.18; 0.18; 0.21; 0.25; 0.25
010--0.570.210.530.210.00.00.0001; 001; 004; 004; 006; 006; 005; 003; 005; 0030.56; 0.56; 0.54; 0.54; 0.53; 0.53; 0.52; 0.52; 0.52; 0.520.23; 0.23; 0.18; 0.18; 0.21; 0.21; 0.20; 0.17; 0.20; 0.17
011--0.570.210.530.210.00.00.0001; 001; 003; 003; 004; 004; 005; 005; 009; 0080.53; 0.53; 0.52; 0.52; 0.51; 0.51; 0.50; 0.50; 0.47; 0.470.20; 0.20; 0.19; 0.19; 0.21; 0.21; 0.21; 0.18; 0.21; 0.24
012--0.570.220.540.230.00.00.0003; 003; 001; 001; 004; 004; 002; 002; 010; 0090.60; 0.60; 0.54; 0.54; 0.52; 0.52; 0.47; 0.47; 0.45; 0.450.23; 0.23; 0.19; 0.19; 0.21; 0.21; 0.20; 0.20; 0.21; 0.17
013--0.530.210.50.220.00.00.0005; 005; 001; 004; 004; 001; 003; 003; 002; 0020.57; 0.57; 0.54; 0.54; 0.54; 0.54; 0.53; 0.53; 0.50; 0.500.22; 0.22; 0.20; 0.20; 0.20; 0.20; 0.22; 0.22; 0.20; 0.20
014--0.590.220.530.210.00.00.0001; 001; 002; 002; 003; 003; 005; 005; 010; 0080.60; 0.60; 0.57; 0.57; 0.56; 0.56; 0.54; 0.54; 0.48; 0.480.22; 0.22; 0.20; 0.20; 0.23; 0.23; 0.19; 0.19; 0.22; 0.25
015--0.580.210.540.210.00.00.0001; 001; 003; 003; 004; 004; 002; 002; 006; 0050.56; 0.56; 0.55; 0.55; 0.54; 0.54; 0.52; 0.52; 0.51; 0.510.21; 0.21; 0.19; 0.19; 0.17; 0.17; 0.24; 0.24; 0.21; 0.20
016--0.590.240.540.250.00.00.0001; 001; 004; 004; 003; 003; 005; 005; 002; 0060.58; 0.58; 0.52; 0.52; 0.51; 0.51; 0.50; 0.50; 0.46; 0.460.23; 0.23; 0.21; 0.21; 0.19; 0.21; 0.21; 0.21; 0.16; 0.19
017--0.590.20.540.20.00.00.0003; 003; 001; 001; 002; 002; 008; 008; 009; 0090.58; 0.58; 0.57; 0.57; 0.54; 0.54; 0.49; 0.49; 0.47; 0.470.18; 0.18; 0.21; 0.21; 0.21; 0.21; 0.21; 0.21; 0.19; 0.19
018--0.60.220.540.210.00.00.0003; 003; 006; 006; 005; 005; 001; 004; 001; 0040.58; 0.57; 0.56; 0.56; 0.53; 0.53; 0.52; 0.52; 0.52; 0.520.23; 0.23; 0.22; 0.22; 0.22; 0.21; 0.19; 0.20; 0.19; 0.20
019--0.60.190.560.210.00.00.0003; 003; 005; 005; 001; 001; 002; 002; 010; 0100.59; 0.59; 0.57; 0.57; 0.56; 0.56; 0.53; 0.53; 0.45; 0.450.22; 0.22; 0.21; 0.21; 0.22; 0.22; 0.19; 0.19; 0.23; 0.19
020--0.550.210.520.210.00.00.0004; 005; 004; 005; 006; 006; 001; 001; 003; 0030.55; 0.55; 0.55; 0.55; 0.53; 0.53; 0.51; 0.51; 0.50; 0.500.22; 0.19; 0.22; 0.19; 0.20; 0.20; 0.19; 0.19; 0.20; 0.20

Aligned per-residue ΔΔG

aln_posaa1aa2E1E2dEdiff
1-M-23718.7-
2-G-12318.97-
3-A-16499.19-
4-T-22831.04-
5-A-16562.1-
6-V-24249.46-
7SS5066.4918076.68-13010.19
8EE36544.3927712.378832.03
9WW75978.6639269.9236708.74
10TT48644.2621797.6526846.62
11EE45819.1326876.3818942.75
12R-68373.52--
13-Y-31744.12-
14KK48952.5425971.1522981.39
15TT45532.8922778.822754.09
16AA26937.4217371.539565.89
17DD22977.6424308.1-1330.45
18GG25919.7114112.211807.5
19KK54435.7829251.4125184.37
20TT47936.1323308.9724627.16
21Y-64967.03--
22-F-29210.33-
23YY70872.0234085.2236786.81
24YY69963.7832414.4537549.33
25NN44715.3625931.6218783.74
26NN27940.3127093.04847.26
27RR58412.4535998.9222413.53
28TT42197.9923320.3818877.61
29LL46667.4527273.3619394.09
30EE51257.9827275.7823982.21
31SS37253.2119793.7317459.47
32TT37522.9918984.2118538.78
33WW87555.6432107.2855448.36
34-M-16371.14-
35-G-12281.83-
36-A-15856.08-
37-T-22040.77-
38-A-15260.59-
39-V-24192.45-
40-S-16805.13-
41EE42763.1426994.2215768.92
42K-52862.97--
43P-50932.27--
44Q-35223.97--
45-W-37335.25-
46-T-21807.54-
47EE37852.6527661.6810190.97
48L-36438.72--
49-Y-33544.75-
50KK6692.025450.75-18758.75
51-T-22101.78-
52-A-17005.59-
53-D-22579.71-
54-G-13703.11-
55-K-24161.09-
56-T-20844.15-
57-F-29969.75-
58-Y-32756.82-
59-Y-34584.11-
60-N-24566.64-
61-N-27183.58-
62-R-30889.47-
63-T-22331.52-
64-L-27827.33-
65-E-26759.38-
66SS15474.2719879.85-4405.58
67-T-19837.67-
68-W-33565.51-
69-M-19704.3-
70-G-12983.81-
71-A-15888.37-
72-T-21866.19-
73-A-15378.55-
74-V-23733.09-
75-S-17237.03-
76EE41816.1727162.414653.77
77WW87045.7837487.249558.58
78TT48584.6423456.1125128.54
79EE49772.0127659.8222112.19
80R-68683.19--
81-Y-33607.49-
82KK48846.1126997.6421848.47
83TT49305.5822959.626345.98
84AA33207.3716569.5616637.82
85DD49721.924793.9324927.97
86GG24452.9913921.1810531.8
87KK58387.7829109.2129278.57
88TT46425.321416.9525008.35
89Y-73988.42--
90-F-30381.56-
91YY73924.3731920.1242004.26
92YY70755.734324.3836431.32
93NN52225.4925348.0726877.42
94NN42226.4527625.1814601.27
95RR55101.134491.0220610.08
96TT44754.3622250.2322504.12
97LL56466.6727905.5928561.08
98EE52159.8326112.6126047.22
99SS35449.0118667.6816781.34
100TT47829.7417692.6130137.13
101WW88665.236509.5652155.64
102-M-22000.75-
103-G-11606.48-
104-A-16684.91-
105-T-22808.27-
106-A-17122.83-
107-V-23501.81-
108-S-18341.65-
109EE42198.728097.1314101.57
110K-46974.46--
111P-50465.62--
112Q-39148.44--
113-W-38851.34-
114-T-22825.21-
115EE44392.5327561.4716831.06
116L-50559.46--
117-Y-34395.59-
118KK29312.7126742.12570.61
119-T-23091.46-
120-A-17253.83-
121-D-23447.18-
122-G-14432.29-
123-K-28891.9-
124-T-21907.61-
125-F-28179.42-
126-Y-33840.33-
127-Y-33699.51-
128-N-26000.93-
129-N-26897.36-
130-R-36575.19-
131-T-22432.87-
132-L-27577.16-
133-E-27171.36-
134SS7656.8719674.35-12017.48
135-T-19666.97-
136-W-36156.45-
137-M-20187.95-
138-G-11987.46-
139-A-17103.94-
140-T-22516.03-
141-A-16740.64-
142-V-23968.45-
143-S-16349.4-
144EE41285.3127149.5414135.77
145WW82762.7340188.1842574.56
146TT45741.9822726.4423015.54
147EE46675.4526914.0319761.42
148R-54721.23--
149-Y-33696.7-
150KK44974.3724999.5319974.84
151TT46959.1922519.9124439.29
152AA33559.0615592.7717966.29
153DD48317.3124448.5223868.79
154GG26325.6713640.412685.27
155KK50778.8629132.0721646.79
156TT46889.0721613.2725275.8
157Y-67102.16--
158-F-29617.53-
159YY67336.9431753.4935583.45
160YY65438.8733047.5432391.33
161NN44932.0324716.8420215.19
162NN26018.9627991.34-1972.38
163RR51175.4436430.6814744.76
164TT40779.8521490.5619289.29
165LL52850.727852.6624998.04
166EE47257.6526254.1221003.52
167SS38913.4419425.1919488.25
168TT36712.6818046.7818665.9
169WW88019.5532988.5155031.04
170-M-18860.35-
171-G-13216.98-
172-A-16809.43-
173-T-22985.05-
174-A-15100.97-
175-V-22171.38-
176-S-16479.11-
177EE41432.8227693.1413739.68
178K-50428.02--
179P-51687.9--
180Q-34763.48--
181-W-40141.22-
182-T-22293.56-
183EE36975.6926796.4810179.21
184L-46979.19--
185-Y-33148.51-
186KK30947.3726987.373960.0
187-T-22868.85-
188-A-14805.19-
189-D-23098.26-
190-G-13762.6-
191-K-28888.2-
192-T-21546.09-
193-F-31031.55-
194-Y-31448.04-
195-Y-34061.08-
196-N-24696.56-
197-N-26232.74-
198-R-35767.39-
199-T-23009.35-
200-L-27781.89-
201-E-25804.23-
202SS16919.2919907.58-2988.29
203-T-21026.38-
204-W-36724.8-
205-M-21143.86-
206-G-10173.16-
207-A-16441.26-
208-T-20651.8-
209-A-16956.78-
210-V-23496.82-
211-S-16990.66-
212EE46932.4227345.5719586.85
213WW84809.4836312.5448496.95
214TT50069.8122686.3727383.44
215EE48075.925434.8222641.08
216R-71609.21--
217-Y-32558.83-
218KK46824.224950.4521873.75
219TT49374.1921476.227897.99
220AA33342.8316994.1516348.69
221DD45820.1323788.6322031.5
222GG29462.5813764.3315698.25
223KK54015.6528801.6625213.99
224TT48610.2822460.2326150.05
225Y-71924.23--
226-F-30758.96-
227YY72557.133634.538922.6
228YY68896.1834123.8134772.36
229NN48400.8125402.8222998.0
230NN46863.325008.0921855.21
231RR53793.2936195.4817597.81
232TT44487.8722799.1221688.75
233LL58050.7126856.5231194.19
234EE48790.5427073.4721717.07
235SS37355.5717461.7619893.81
236TT44961.9319905.3125056.62
237WW89159.0734351.8954807.18
238-M-22766.98-
239-G-12700.66-
240-A-16979.43-
241-T-22262.89-
242-A-15386.58-
243-V-23513.76-
244-S-17731.98-
245EE45608.4828235.7817372.7
246K-56193.18--
247P-47683.44--
248Q-38072.67--
249-W-39362.16-
250-T-22668.66-
251EE38249.6527986.4910263.16
252L-51069.58--
253-Y-34339.67-
254KK30563.0427642.892920.15
255-T-23150.92-
256-A-17443.53-
257-D-24190.56-
258-G-14197.36-
259-K-27181.65-
260-T-23205.07-
261-F-29616.78-
262-Y-33287.71-
263-Y-33980.98-
264-N-26007.4-
265-N-25637.69-
266-R-35533.67-
267-T-22391.18-
268-L-27727.68-
269-E-25241.32-
270SS11034.618797.63-7763.03
271-T-18293.13-
272-W-33414.06-
273-M-22026.0-
274-G-11428.43-
275-A-16364.5-
276-T-21756.35-
277-A-15055.13-
278-V-24189.01-
279-S-17284.53-
280EE46449.727205.2619244.43
281WW81675.2538850.842824.46
282TT47690.7222952.8824737.84
283EE42743.9327713.9915029.94
284R-69603.39--
285-Y-32646.06-
286KK48955.9625091.4723864.49
287TT43325.120154.4223170.68
288AA33607.016853.5916753.4
289DD41535.8722344.6519191.21
290GG28827.9614554.2614273.69
291KK52314.6928872.2623442.42
292TT47205.0222198.1125006.91
293Y-70598.44--
294-F-29192.45-
295YY71814.3733367.7638446.61
296YY68877.8432044.2436833.61
297NN44018.8125724.5418294.27
298NN37406.7926802.2210604.56
299RR57455.2436003.0421452.2
300TT41035.7522458.518577.25
301LL51236.0927163.0624073.03
302EE44957.6825189.7619767.92
303SS37688.7316735.1720953.56
304TT43599.2118473.1325126.08
305WW83042.0334572.7448469.29
306-M-23297.17-
307-G-12688.73-
308-A-17237.77-
309-T-23170.25-
310-A-17089.25-
311-V-24289.18-
312-S-18127.44-
313EE42885.5628170.0414715.52
314K-47272.35--
315P-52906.09--
316Q-40005.86--
317-W-37976.77-
318-T-23264.71-
319EE40495.8528004.5312491.31
320L-46035.48--
321-Y-33552.72-
322KK26921.6527055.07-133.41
323-T-23107.47-
324-A-17337.31-
325-D-23334.55-
326-G-13847.3-
327-K-28693.93-
328-T-22839.19-
329-F-29666.43-
330-Y-34314.03-
331-Y-32798.86-
332-N-26201.16-
333-N-26283.44-
334-R-36140.04-
335-T-22012.05-
336-L-27270.0-
337-E-27125.98-
338SS16309.619767.32-3457.71
339-T-19719.03-
340-W-36159.9-
341-M-27177.2-
342-G-13992.26-
343-A-17914.84-
344-T-23214.97-
345-A-17806.92-
346-V-24177.47-
347-S-19503.91-
348EE41109.5428131.3212978.23
349WW85562.8738453.2247109.65
350TT47609.822729.6924880.11
351EE53581.2627122.7926458.47
352R-63720.52--
353-Y-32190.86-
354KK48040.8930187.8917853.0
355TT48530.6822114.6826416.0
356AA32654.2817141.415512.88
357DD44012.3623215.8520796.51
358GG28381.2112406.1315975.09
359KK59482.528886.930595.61
360TT46626.2222533.3224092.89
361Y-70099.39--
362-F-26936.3-
363YY73090.5632696.240394.35
364YY71001.5233053.0837948.44
365NN51086.8527026.9724059.89
366NN46744.1526112.4420631.72
367RR50425.4138126.812298.61
368TT43808.6822631.5321177.15
369LL55584.5627356.0128228.55
370EE50083.9627634.9322449.03
371SS34029.6520475.313554.35
372TT47015.3421864.0125151.33
373WW87879.1133595.0554284.06
374-M-25361.67-
375-G-13512.63-
376-A-17295.19-
377-T-23190.26-
378-A-14458.95-
379-V-23995.95-
380-S-19540.13-
381EE43895.0626415.6417479.42
382K-55758.28--
383P-50652.12--
384Q-37807.12--
385-W-38796.76-
386-T-22442.59-
387EE42427.7623409.8319017.93
388L-40911.08--
389-Y-33391.93-
390KK29140.6427848.481292.16
391-T-21851.57-
392-A-16122.72-
393-D-15593.89-
394-G-14414.3-
395-K-21492.08-
396-T-21478.24-
397-F-27361.26-
398-Y-31870.21-
399-Y-33320.74-
400-N-25709.09-
401-N-27299.72-
402-R-36833.67-
403-T-22619.94-
404-L-27545.3-
405-E-27654.44-
406SS21208.2820225.69982.59
407-T-22031.08-
408-W-28791.43-
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