Analysis of pair 1iytA_2naoF

1iytA vs 2naoF

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] 1iytA vs. 2naoF (unaligned) — interactive
[missing] 1iytA vs. 2naoF (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--0.240.220.480.24-0.00.0---
000--0.240.220.480.24-0.00.0005; 005; 002; 004; 002; 004; 001; 009; 009; 0070.43; 0.43; 0.37; 0.37; 0.37; 0.36; 0.35; 0.33; 0.31; 0.310.22; 0.22; 0.23; 0.20; 0.23; 0.20; 0.26; 0.22; 0.21; 0.17

Aligned per-residue ΔΔG

aln_posaa1aa2E1E2dEdiff
1DD1326.083432.38-2106.3
2AA2355.542630.65-275.11
3EE10218.596793.283425.31
4FF15212.089093.746118.35
5RR12852.2110093.822758.39
6HH16519.286674.179845.11
7DD12479.191750.510728.69
8SS3980.91454.52526.4
9GG7770.482073.635696.85
10YY19414.376382.4413031.93
11EE11507.532464.779042.76
12VV11129.6310193.45936.19
13HH17442.6411680.495762.15
14HH16730.5117006.62-276.11
15QQ11087.6821517.13-10429.45
16KK12665.4618181.24-5515.78
17LL18829.9426786.84-7956.9
18VV14886.2820783.83-5897.55
19FF16711.7730027.95-13316.18
20FF18310.6627383.76-9073.1
21AA14987.069997.554989.51
22EE18603.813165.345438.46
23DD13489.4314708.61-1219.18
24VV18976.5619141.91-165.34
25GG12208.588148.294060.29
26SS13112.014761.51-1649.51
27NN18058.0926205.85-8147.77
28KK20623.525706.79-5083.29
29GG5550.9412879.78-7328.84
30AA12339.5915582.3-3242.71
31II22645.026213.74-3568.74
32II14560.6324477.14-9916.51
33GG12497.5111586.38911.13
34LL13347.3218335.13-4987.81
35MM15524.0525421.43-9897.38
36VV18476.2917971.21505.09
37GG9065.479772.28-706.81
38GG7881.769059.28-1177.52
39VV14251.119291.02-5039.92
40VV12171.1519628.26-7457.11
41II12413.3125122.96-12709.65
42AA4098.8615552.45-11453.59
43DD4309.382155.712153.67
44AA3983.323104.52878.8
45EE11957.077190.784766.3
46FF8264.488229.8234.66
47RR15956.337211.78744.63
48HH16499.438886.777612.66
49DD14977.635972.429005.21
50SS10813.654052.656761.0
51GG5783.062650.363132.69
52YY15652.454085.7311566.72
53EE21190.061160.2620029.8
54VV11945.64523.6311422.01
55HH17110.666299.0810811.58
56HH17922.7518111.07-188.32
57QQ13129.0418616.46-5487.43
58KK12912.0622924.63-10012.57
59LL18011.2625797.98-7786.72
60VV17911.6321673.92-3762.28
61FF19207.2731487.5-12280.23
62FF21393.0725865.79-4472.72
63AA14443.888685.775758.11
64EE21082.9114309.966772.96
65DD18654.5511821.36833.25
66VV20008.2316862.643145.59
67GG9839.619909.42-69.82
68SS15583.4814590.56992.92
69NN22781.1222016.64764.48
70KK22466.3220449.072017.25
71GG10141.6812258.07-2116.39
72AA15215.4217390.93-2175.51
73II18974.8123345.43-4370.62
74II18403.4925728.52-7325.03
75GG12378.6211227.921150.7
76LL15262.6620938.51-5675.85
77MM14490.0725201.72-10711.66
78VV14577.7416639.32-2061.58
79GG8995.567321.891673.67
80GG10497.476963.823533.64
81VV11252.3211126.2126.12
82VV11798.5917363.79-5565.2
83II15183.2121807.77-6624.56
84AA5677.7612811.66-7133.91
85DD3995.551.863993.69
86AA7090.492.657087.84
87EE12682.98137.5412545.44
88FF11864.41627.8411236.57
89RR15454.622578.0912876.53
90HH14523.882491.6312032.25
91DD11041.256181.624859.63
92SS9347.253346.836000.41
93GG9364.163440.515923.65
94YY15478.2511354.224124.03
95EE11847.565961.335886.22
96VV18477.67711.6110765.99
97HH17283.6111373.995909.62
98HH11441.8217302.37-5860.55
99QQ13500.1519931.47-6431.32
100KK21618.219499.192119.01
101LL14253.0726362.07-12109.01
102VV11254.5419721.22-8466.67
103FF21096.7530302.56-9205.81
104FF24811.8128061.58-3249.77
105AA11472.626304.415168.21
106EE16842.5911792.635049.97
107DD18212.3514048.994163.37
108VV20886.3118138.972747.35
109GG11783.199510.412272.78
110SS16278.5512077.064201.48
111NN20603.3424736.9-4133.56
112KK24877.1923959.9917.29
113GG11572.029665.871906.16
114AA12053.6916104.1-4050.41
115II19950.0225467.32-5517.29
116II19039.8522842.82-3802.97
117GG9220.918270.86950.04
118LL12146.5621363.91-9217.36
119MM18544.8420168.6-1623.76
120VV20467.4720669.36-201.89
121GG7010.528747.76-1737.24
122GG3507.127166.78-3659.67
123VV11664.7517111.92-5447.17
124VV14689.515463.15-773.65
125II11448.8423361.12-11912.28
126AA4741.2913885.92-9144.63
127DD1092.16215.46876.69
128AA6223.08404.855818.23
129EE14835.24885.829949.38
130FF7666.44361.823304.58
131RR10901.4815000.7-4099.21
132HH18676.626046.0212630.6
133DD14618.737756.966861.77
134SS10859.076411.984447.1
135GG5310.242923.532386.71
136YY12655.671808.4410847.23
137EE21948.912367.7119581.2
138VV12725.994130.838595.16
139HH11851.369152.642698.72
140HH15202.8920204.64-5001.75
141QQ21055.4822224.78-1169.3
142KK12475.0320454.39-7979.36
143LL8529.3626510.85-17981.49
144VV15334.7421336.96-6002.22
145FF23944.0630055.06-6111.0
146FF17703.9826781.97-9077.99
147AA5780.4810306.57-4526.09
148EE20312.2413077.197235.05
149DD18699.1514664.124035.02
150VV14752.5418695.06-3942.51
151GG10524.312407.39-1883.08
152SS17034.5216962.9471.58
153NN18557.7526339.35-7781.6
154KK24998.0725832.53-834.46
155GG8696.4713653.76-4957.28
156AA11807.8416912.63-5104.79
157II22320.7725150.37-2829.6
158II14290.5424867.19-10576.65
159GG5526.9211221.91-5694.98
160LL19144.7321076.93-1932.2
161MM13423.8725369.6-11945.72
162VV6985.2216084.19-9098.96
163GG8972.8910141.44-1168.55
164GG10755.739493.721262.01
165VV4119.1116823.75-12704.64
166VV8463.4917731.46-9267.97
167II12305.2520571.08-8265.83
168AA1780.6712851.43-11070.76
169DD1869.7716.791852.97
170AA8516.57277.88238.77
171EE11519.061287.2610231.81
172FF11963.784617.817345.97
173RR15912.83554.1115358.72
174HH13301.197201.866099.33
175DD11238.482103.739134.75
176SS7692.111645.416046.7
177GG2571.69256.422315.27
178YY12544.74418.3912126.36
179EE21751.084018.7517732.33
180VV10099.914572.745527.17
181HH10311.1313240.94-2929.8
182HH17340.6620627.4-3286.74
183QQ17533.0721879.09-4346.02
184KK12089.3822767.32-10677.93
185LL15659.2126684.08-11024.86
186VV19284.8618192.211092.64
187FF22696.4830331.7-7635.21
188FF20478.5529423.22-8944.67
189AA14009.4511283.12726.35
190EE21392.813512.77880.1
191DD18047.1313058.714988.42
192VV21049.1219533.871515.25
193GG12791.7912569.54222.25
194SS16432.8616220.53212.33
195NN20123.1925511.2-5388.01
196KK26478.7926665.33-186.55
197GG10448.7712382.65-1933.88
198AA12865.2417224.0-4358.76
199II22543.8926246.76-3702.87
200II21688.8125500.69-3811.89
201GG11294.7611023.3271.46
202LL15283.7619017.66-3733.9
203MM11258.122711.78-11453.68
204VV14826.1716224.44-1398.27
205GG9594.269621.55-27.3
206GG2304.737947.29-5642.56
207VV2918.8816453.0-13534.12
208VV14602.9819824.53-5221.55
209II11419.0825035.33-13616.24
210AA1561.414973.12-13411.72
211DD1141.08165.11975.97
212AA3098.45798.72299.75
213EE10822.735762.15060.63
214FF13146.134578.818567.33
215RR14087.5113956.42131.09
216HH13270.345086.268184.08
217DD10261.877060.673201.2
218SS11406.872891.318515.57
219GG9016.432539.956476.49
220YY9829.064446.675382.39
221EE7588.524034.023554.5
222VV17421.0711542.745878.33
223HH17807.937709.0410098.88
224HH3642.2919727.78-16085.48
225QQ9289.7421039.08-11749.34
226KK24198.8824912.35-713.47
227LL12536.8824621.03-12084.15
228VV9802.6622044.22-12241.56
229FF19161.7530616.14-11454.4
230FF27113.2325758.331354.9
231AA12492.919310.063182.85
232EE16684.2413530.093154.15
233DD18023.0316654.461368.57
234VV20837.9919571.131266.86
235GG12477.8212587.58-109.76
236SS14039.1416596.16-2557.02
237NN19438.626839.07-7400.47
238KK27388.324946.792441.52
239GG11855.6513821.52-1965.88
240AA12780.417138.56-4358.16
241II21050.7726528.29-5477.52
242II22473.2624201.92-1728.66
243GG9716.1711300.16-1583.99
244LL12945.021499.75-8554.75
245MM19898.0124296.04-4398.03
246VV18584.7720111.92-1527.15
247GG6550.069461.36-2911.31
248GG5468.4510111.11-4642.67
249VV15345.9318981.44-3635.51
250VV11853.4720676.37-8822.9
251II5708.1422244.72-16536.58
252AA1503.2913254.37-11751.08
253DD3717.792393.91323.89
254AA4544.291995.822548.46
255EE10595.124582.386012.74
256FF10151.577355.352796.22
257RR11347.515255.246092.27
258HH11436.916015.865421.05
259DD11253.43098.038155.37
260SS10292.883955.976336.91
261GG10188.432392.967795.47
262YY13756.824291.669465.16
263EE7407.5910149.09-2741.5
264VV13374.9911616.071758.92
265HH19260.1411656.757603.39
266HH12032.015716.16-3684.15
267QQ11426.7218166.57-6739.84
268KK19861.8123746.89-3885.08
269LL16352.7324382.77-8030.05
270VV12347.6519854.5-7506.85
271FF19245.9627712.23-8466.26
272FF18378.4127767.88-9389.47
273AA9847.2310499.93-652.7
274EE19576.0714142.695433.37
275DD19008.7315016.223992.52
276VV9284.4715963.47-6679.0
277GG5127.0311678.5-6551.47
278SS16695.4116458.37237.04
279NN19218.1722947.28-3729.11
280KK18244.7822938.44-4693.65
281GG9427.7612409.69-2981.93
282AA16150.2716666.13-515.86
283II11808.819374.11-7565.31
284II7161.4123921.86-16760.45
285GG10735.175877.834857.34
286LL18380.7420236.38-1855.64
287MM17874.1323900.77-6026.64
288VV12114.218614.57-6500.37
289GG2286.87634.74-5347.94
290GG6566.719731.72-3165.01
291VV16216.4618631.0-2414.54
292VV2084.0120292.72-18208.72
293II3350.924051.25-20700.36
294AA1107.5114031.28-12923.77
295DD4961.412896.752064.66
296AA7217.33617.953599.35
297EE14301.888916.415385.47
298FF8495.746871.521624.23
299RR11308.1511953.19-645.05
300HH15129.277502.137627.14
301DD17695.747327.2810368.46
302SS9281.186570.32710.88
303GG5392.163739.311652.85
304YY14121.667413.116708.56
305EE22071.568467.4113604.15
306VV12592.112930.25-338.15
307HH13326.7317407.34-4080.61
308HH17213.1611501.55711.66
309QQ19007.6114283.184724.43
310KK13910.8726218.03-12307.16
311LL11929.5518094.12-6164.57
312VV18372.4520057.33-1684.88
313FF23146.0626447.4-3301.34
314FF17679.0829503.0-11823.91
315AA8811.835710.763101.07
316EE22436.057523.7214912.33
317DD14914.192690.8912223.3
318VV16778.9514006.92772.05
319GG11955.657074.054881.6
320SS15085.7915017.5568.24
321NN17418.125409.8-7991.7
322KK26805.0127386.53-581.53
323GG10837.2312143.57-1306.33
324AA13864.7114692.29-827.58
325II23955.1824173.86-218.68
326II18067.1319251.01-1183.88
327GG10727.256469.884257.36
328LL19491.6619159.48332.18
329MM11348.418173.29-6824.89
330VV11683.6415106.14-3422.5
331GG10226.718167.442059.26
332GG10731.696533.254198.45
333VV7141.5816861.1-9719.52
334VV9330.4613543.63-4213.17
335II15645.1824859.09-9213.91
336AA4708.1514718.36-10010.2
337DD5062.35733.34329.06
338AA9716.641641.858074.79
339EE13031.531907.0211124.51
340FF11996.196208.485787.71
341RR7195.626246.52949.1
342HH14014.728980.095034.63
343DD14121.444518.269603.18
344SS9629.112743.486885.63
345GG4200.052276.671923.39
346YY13407.294396.069011.23
347EE19198.735043.7314155.0
348VV14250.110924.733325.37
349HH8360.1714737.2-6377.03
350HH12529.4716204.67-3675.2
351QQ19532.9719588.14-55.17
352KK17604.4923317.03-5712.54
353LL9374.522735.94-13361.45
354VV16306.7919840.21-3533.42
355FF17339.8627373.76-10033.9
356FF24704.5427629.8-2925.27
357AA14889.528127.326762.2
358EE20547.5913473.257074.34
359DD16398.9814996.31402.68
360VV20375.3717071.843303.52
361GG13277.8111918.561359.25
362SS12183.7417025.74-4842.0
363NN16870.8925044.48-8173.59
364KK26703.9424510.712193.23
365GG11880.3210918.11962.21
366AA13420.3717172.44-3752.07
367II21162.9220531.28631.64
368II22301.8119549.952751.85
369GG9931.729348.09583.63
370LL12218.4222519.71-10301.29
371MM15896.8822398.99-6502.12
372VV16589.7619649.21-3059.45
373GG8680.699617.62-936.93
374GG9775.696883.282892.41
375VV11221.6219019.93-7798.32
376VV10119.9618746.03-8626.06
377II14312.1824162.05-9849.88
378AA5245.5916019.29-10773.7
379DD1508.3717.641490.73
380AA3540.45584.912955.53
381EE12669.332772.849896.49
382FF6704.316868.44-164.12
383RR6945.074669.722275.36
384HH16889.976081.410808.56
385DD14424.284989.179435.11
386SS12459.282717.269742.03
387GG9826.271209.188617.09
388YY10945.291956.028989.26
389EE7421.743431.563990.18
390VV17577.911263.526314.38
391HH17985.326982.6111002.71
392HH3863.8422710.46-18846.62
393QQ9465.4922392.92-12927.43
394KK24387.8624120.27267.59
395LL11235.726212.01-14976.31
396VV9374.6521046.75-11672.1
397FF10748.031267.09-20519.09
398FF26203.7825960.01243.77
399AA10408.187624.072784.11
400EE16187.858667.267520.59
401DD20827.1515544.765282.39
402VV18515.4418376.46138.98
403GG10424.028706.711717.31
404SS14942.7413023.31919.44
405NN21654.1624680.5-3026.33
406KK26823.2525799.581023.67
407GG12088.1312165.2-77.06
408AA13793.6816924.36-3130.67
409II20055.3925984.36-5928.98
410II21621.0922833.05-1211.96
411GG10006.478338.331668.15
412LL12923.1420011.32-7088.18
413MM19814.7126389.96-6575.25
414VV19135.9218886.71249.21
415GG6069.287157.39-1088.11
416GG3972.79722.61-5749.91
417VV15202.2819345.3-4143.02
418VV7934.6719716.39-11781.72
419II4433.0924239.31-19806.22
420AA2283.8516485.61-14201.76
421-D-6580.79-
422-A-3300.25-
423-E-7562.89-
424-F-12079.27-
425-R-10264.51-
426-H-10762.63-
427-D-1872.81-
428-S-1360.88-
429-G-3.02-
430-Y-631.84-
431-E-8327.55-
432-V-11152.44-
433-H-16850.28-
434-H-23613.23-
435-Q-22269.85-
436-K-19549.01-
437-L-26537.25-
438-V-20583.49-
439-F-30550.06-
440-F-27848.45-
441-A-10631.5-
442-E-14241.03-
443-D-16572.65-
444-V-20975.64-
445-G-9545.54-
446-S-17395.66-
447-N-26377.63-
448-K-27763.26-
449-G-13556.05-
450-A-14952.8-
451-I-25482.09-
452-I-23996.84-
453-G-11250.97-
454-L-22352.89-
455-M-26875.96-
456-V-18343.96-
457-G-10614.54-
458-G-8810.97-
459-V-19398.59-
460-V-19883.23-
461-I-24765.78-
462-A-16337.21-
463-D-1571.41-
464-A-2735.83-
465-E-7280.59-
466-F-9160.29-
467-R-8835.59-
468-H-8079.51-
469-D-3736.54-
470-S-4824.12-
471-G-4608.64-
472-Y-7783.89-
473-E-7775.05-
474-V-12675.7-
475-H-20439.25-
476-H-22357.08-
477-Q-19209.47-
478-K-23967.1-
479-L-24786.33-
480-V-21262.16-
481-F-31544.79-
482-F-26616.57-
483-A-10120.74-
484-E-14958.51-
485-D-14733.75-
486-V-18685.23-
487-G-11800.79-
488-S-17954.79-
489-N-24060.56-
490-K-26152.29-
491-G-12136.23-
492-A-17629.3-
493-I-23450.11-
494-I-25377.16-
495-G-10442.84-
496-L-23415.08-
497-M-25985.11-
498-V-19130.92-
499-G-8971.95-
500-G-9242.14-
501-V-17681.0-
502-V-18592.33-
503-I-24405.95-
504-A-14965.81-
505-D-522.27-
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