Analysis of pair 2lelA_2k0qA

2lelA vs 2k0qA

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] 2lelA vs. 2k0qA (unaligned) — interactive
[missing] 2lelA vs. 2k0qA (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--0.60.720.70.640.490.430.46---
000--0.60.720.70.640.490.430.46005; 005; 004; 004; 001; 003; 001; 006; 006; 0030.59; 0.59; 0.58; 0.57; 0.56; 0.56; 0.56; 0.55; 0.55; 0.500.71; 0.71; 0.65; 0.64; 0.76; 0.67; 0.76; 0.63; 0.63; 0.60

Aligned per-residue ΔΔG

aln_posaa1aa2E1E2dEdiff
1VV12557.0732554.85-19997.78
2DD17757.3529473.79-11716.44
3MM11783.9249385.14-37601.22
4SS13593.429309.84-15716.43
5NN17959.3151054.98-33095.67
6VV17343.550244.88-32901.37
7VV40587.5749542.22-8954.65
8KK58322.3161345.43-3023.13
9TT45268.9948467.99-3199.0
10YY69297.6165069.164228.46
11DD53622.1546271.217350.94
12LL60306.5656540.323766.24
13QQ49842.5353708.37-3865.84
14DD48690.3337432.2211258.11
15GG31531.5429375.632155.91
16SS41569.5441027.19542.34
17KK52561.0158571.38-6010.37
18VV50543.6152617.35-2073.74
19HH62763.7170392.37-7628.67
20VV52753.852109.84643.96
21FF69112.7569053.9258.83
22KK43632.1450785.36-7153.22
23DD45238.0944451.06787.02
24GG30869.029853.391015.61
25KK55838.4948763.037075.46
26MM69118.3565192.23926.15
27GG30702.2529424.461277.79
28MM67454.1963452.184002.01
29EE44431.258985.76-14554.55
30NN52213.2353570.2-1356.97
31KK45282.4255200.74-9918.32
32FF56953.9462986.05-6032.11
33GG22359.430118.83-7759.43
34KK49125.6550108.18-982.53
35SS38236.9740589.87-2352.89
36MM56432.955498.36934.54
37NN54988.7138067.9316920.79
38MM69157.6460226.538931.11
39PP49258.7345268.473990.26
40EE47680.8454164.53-6483.69
41GG29331.7328858.76472.97
42KK59808.9852552.917256.06
43VV52301.4351790.84510.59
44MM70076.1861442.618633.57
45EE57836.8454182.33654.54
46TT50106.3847980.522125.86
47RR50568.2651857.84-1289.58
48DD45531.9637721.957810.01
49GG29315.1129290.9724.14
50TT50812.7541324.359488.4
51KK57881.2658116.0-234.74
52II59775.858004.851770.95
53II57825.6458470.91-645.27
54MM69734.8558913.5110821.34
55KK51707.1259794.93-8087.82
56GG31639.1828752.512886.66
57NN57182.5438134.5819047.95
58EE54080.5551544.982535.56
59II61399.7656495.944903.82
60FF49371.3169786.31-20415.0
61RR54327.3353935.47391.86
62LL52197.9846987.765210.22
63DD35362.8239864.24-4501.41
64EE27339.3733677.96-6338.59
65AA14230.4729118.95-14888.48
66LL11406.8938416.22-27009.33
67RR19215.9331017.58-11801.65
68KK14901.2426041.83-11140.59
69GG6475.95518.43957.46
70HH18596.2920842.39-2246.1
71SS3243.657183.98-3940.32
72EE550.761319.82-769.06
73GG736.66124.74611.92
74GG2709.97363.42346.57
75X-7019.97--
76X-1584.77--
77VV12130.4426509.65-14379.21
78DD5408.1228994.23-23586.11
79MM5507.0548638.24-43131.2
80SS14112.0338931.97-24819.94
81NN13771.5750468.29-36696.73
82VV22404.8949457.2-27052.31
83VV38135.2146529.81-8394.6
84KK59588.7159060.33528.39
85TT47866.1848418.68-552.5
86YY69089.4669177.32-87.86
87DD53879.0747201.66677.48
88LL60816.8257974.22842.63
89QQ53105.452943.57161.83
90DD47725.4842938.854786.63
91GG32062.6828858.923203.75
92SS41359.5841840.59-481.01
93KK57449.9261664.48-4214.55
94VV52489.8552351.53138.32
95HH62371.3470202.98-7831.64
96VV53135.1951360.011775.18
97FF67037.9968043.72-1005.73
98KK47865.4844513.313352.18
99DD46398.8743615.692783.18
100GG30840.0626366.014474.05
101KK54728.1352219.452508.68
102MM68328.4363640.374688.06
103GG31441.3431208.19233.16
104MM67143.4265613.541529.88
105EE46350.9759488.02-13137.05
106NN51342.8954557.54-3214.65
107KK46300.756277.28-9976.59
108FF55274.8362647.27-7372.44
109GG22217.4130575.68-8358.27
110KK51040.0251028.1111.91
111SS37746.3638158.69-412.33
112MM56736.8656916.06-179.21
113NN57440.0540152.8517287.2
114MM69685.2553647.3416037.9
115PP52891.3142919.149972.17
116EE47770.4150649.97-2879.57
117GG29179.8530347.56-1167.7
118KK62284.752913.669371.04
119VV51883.3951724.71158.68
120MM70560.3761818.478741.9
121EE57671.4451427.226244.21
122TT50684.2648647.932036.33
123RR55098.9254263.44835.48
124DD47955.7934816.9313138.86
125GG30761.3828877.061884.32
126TT51272.9741984.09288.97
127KK56200.2551736.354463.9
128II60318.4358283.332035.09
129II57437.4958387.64-950.16
130MM69327.9659857.159470.81
131KK55368.1752589.342778.83
132GG31163.5129221.181942.33
133NN59399.6240074.2219325.4
134EE54701.4151351.43350.0
135II60657.3355687.794969.54
136FF49402.9969350.21-19947.22
137RR55253.5356133.56-880.03
138LL52992.2940668.3312323.96
139DD36557.140581.7-4024.61
140EE7327.9135802.4-28474.49
141AA4899.0629062.65-24163.58
142LL5859.4735341.25-29481.78
143RR12270.9525255.93-12984.99
144KK18960.8612764.16196.76
145GG7940.733316.994623.74
146HH8100.0111987.23-3887.22
147SS1163.5726.941136.64
148EE2238.2161.722076.48
149GG17.892.7715.12
150GG2929.862.662927.2
151X-7082.33--
152X-1019.64--
153VV11872.9733911.18-22038.2
154DD5296.3131154.14-25857.83
155MM174.5350414.11-50239.57
156SS1231.9532212.27-30980.31
157NN6976.8751216.57-44239.71
158VV16263.2948185.22-31921.93
159VV35142.0149344.42-14202.41
160KK59798.3860799.94-1001.56
161TT46713.6247494.07-780.46
162YY69611.1868933.92677.25
163DD51736.4646474.985261.48
164LL61034.1556871.784162.36
165QQ49575.4351927.06-2351.63
166DD45825.8738234.237591.64
167GG30240.9418010.0612230.88
168SS40443.5139067.521376.0
169KK53152.3251644.531507.78
170VV50700.7351854.24-1153.51
171HH61876.0468144.91-6268.87
172VV51739.2450293.381445.86
173FF68463.3868778.71-315.33
174KK45366.2248611.7-3245.48
175DD48932.1344234.284697.86
176GG30291.2929980.96310.33
177KK58672.7455791.492881.25
178MM68836.4264856.233980.19
179GG29986.8727599.262387.61
180MM68279.6459267.149012.5
181EE46976.858836.72-11859.92
182NN48633.1451413.24-2780.1
183KK53154.9958514.95-5359.96
184FF49517.1657514.77-7997.6
185GG24289.3330981.58-6692.26
186KK48290.6253060.55-4769.93
187SS34662.6537997.78-3335.12
188MM50365.2758594.1-8228.83
189NN56915.1636588.8820326.28
190MM69060.9761794.517266.46
191PP49882.9345891.283991.64
192EE46730.4452378.41-5647.97
193GG30644.5226180.414464.11
194KK61113.054840.566272.44
195VV53132.5549626.973505.58
196MM69992.7152622.0117370.69
197EE57335.5650336.766998.79
198TT48721.2447371.431349.81
199RR60378.5451326.089052.46
200DD41642.0340547.321094.71
201GG30400.1428980.181419.96
202TT50331.8241694.978636.85
203KK56337.2853174.373162.91
204II60601.5658037.492564.07
205II57604.2258175.22-571.0
206MM67905.8755861.7412044.13
207KK54569.8860666.87-6096.99
208GG32040.1226331.515708.61
209NN55485.3538521.716963.65
210EE47896.4948155.68-259.19
211II60374.5556491.113883.44
212FF52531.1569285.8-16754.64
213RR52288.3356436.25-4147.92
214LL55580.0549171.856408.2
215DD30884.5237722.77-6838.25
216EE23209.0237547.02-14338.0
217AA12000.9528717.82-16716.87
218LL13526.0343514.47-29988.45
219RR25096.130992.2-5896.1
220KK7529.0722872.72-15343.64
221GG8023.811585.06-3561.26
222HH10054.5811922.52-1867.94
223SS1861.044570.64-2709.59
224EE2411.894291.87-1879.99
225GG1.742898.5-2896.76
226GG2.421137.9-1135.48
227X-6903.98--
228X-782.41--
229VV13361.3829016.6-15655.22
230DD14670.7417725.77-3055.03
231MM15500.8443311.28-27810.44
232SS1369.4734606.0-33236.53
233NN3018.7251833.51-48814.79
234VV18576.0248353.89-29777.87
235VV30664.3351027.82-20363.49
236KK59402.7360585.28-1182.55
237TT46090.8746034.4556.42
238YY70175.770933.76-758.05
239DD51877.8944145.217732.68
240LL60495.9556884.493611.46
241QQ46062.8353999.74-7936.91
242DD45722.6841653.014069.67
243GG28845.0628889.06-44.01
244SS41730.3441527.15203.19
245KK56786.7154406.472380.24
246VV52341.051736.68604.32
247HH62702.2370125.55-7423.32
248VV52585.7850298.192287.59
249FF68585.4468822.11-236.67
250KK46474.9647703.66-1228.7
251DD48373.7442654.055719.68
252GG30613.724700.085913.61
253KK57248.3855007.472240.92
254MM67949.9865146.932803.05
255GG31236.5329748.851487.68
256MM67987.261658.616328.59
257EE43899.4456902.55-13003.11
258NN52153.651850.98302.62
259KK48319.0251613.03-3294.01
260FF50880.2758765.18-7884.91
261GG20520.4730819.13-10298.66
262KK45061.5946659.52-1597.93
263SS37811.8239273.73-1461.91
264MM56214.7557901.26-1686.51
265NN56903.8238817.3318086.5
266MM69783.7456160.0513623.69
267PP51293.0942533.138759.96
268EE49386.7247336.482050.25
269GG31457.5726057.225400.35
270KK61383.0652050.49332.66
271VV52600.9248750.33850.62
272MM70608.2556519.6314088.62
273EE48843.7653209.22-4365.46
274TT49139.0446960.772178.27
275RR55674.2453078.022596.22
276DD44679.7637288.827390.94
277GG30004.9428981.271023.67
278TT51306.5140525.110781.41
279KK57587.0458176.47-589.43
280II60092.0157251.762840.25
281II58400.3253360.285040.04
282MM68128.154353.013775.1
283KK58381.9147936.5310445.38
284GG30293.2128166.062127.15
285NN54249.7237548.1816701.54
286EE48368.9647282.051086.9
287II61002.6754806.596196.07
288FF45903.7167032.46-21128.75
289RR56314.9851049.725265.26
290LL53217.5354087.65-870.12
291DD22360.2635300.75-12940.49
292EE20567.4332986.25-12418.81
293AA11626.2930859.7-19233.41
294LL1498.944290.68-42791.79
295RR1611.9128031.8-26419.89
296KK4563.0427245.29-22682.25
297GG2447.888982.45-6534.57
298HH12397.2310731.571665.65
299SS9582.391789.827792.56
300EE14883.992151.7612732.23
301GG10640.146.6310633.52
302GG8448.35157.98290.46
303X-7116.36--
304X-459.38--
305VV9968.6829965.39-19996.71
306DD10776.4336583.35-25806.93
307MM20092.7153680.94-33588.24
308SS9753.8935333.81-25579.92
309NN16489.0846732.57-30243.5
310VV14098.1347903.09-33804.96
311VV40863.0651555.01-10691.94
312KK56979.4962140.01-5160.52
313TT47164.0748984.71-1820.63
314YY68873.8970000.41-1126.52
315DD53237.6944381.068856.63
316LL60773.4553371.927401.53
317QQ50233.5251481.27-1247.75
318DD45998.336161.829836.48
319GG30795.3828379.172416.21
320SS41719.0740618.171100.9
321KK57458.7460549.41-3090.67
322VV52487.4350532.611954.81
323HH61453.6370005.51-8551.89
324VV51813.8550185.61628.25
325FF67009.0268797.7-1788.68
326KK45539.2546788.26-1249.01
327DD44952.3544722.13230.22
328GG29327.9226285.943041.99
329KK55680.7850339.525341.27
330MM69042.0264027.685014.34
331GG31532.9830685.02847.96
332MM67004.8265173.531831.29
333EE48600.2558561.91-9961.66
334NN47257.351979.94-4722.65
335KK45735.2458321.11-12585.87
336FF45959.1258686.55-12727.43
337GG17144.1228908.6-11764.48
338KK43525.7747858.67-4332.9
339SS38639.1432504.246134.9
340MM52100.0654948.74-2848.68
341NN55242.4238523.216719.22
342MM69619.0257298.9912320.02
343PP53075.8646948.846127.01
344EE47036.9247351.54-314.63
345GG29968.9229755.6213.32
346KK62019.653738.38281.3
347VV52309.7851518.74791.04
348MM70340.761355.638985.07
349EE58533.8853822.694711.19
350TT48856.2548101.24755.01
351RR44386.7754526.83-10140.06
352DD42159.6239375.352784.27
353GG28979.6326543.732435.91
354TT50933.3543897.417035.94
355KK56503.0757345.8-842.73
356II58004.6458359.36-354.72
357II58688.4658036.8651.66
358MM69067.0861059.748007.33
359KK58031.6252061.285970.34
360GG31503.5123110.038393.48
361NN58053.1339938.4618114.66
362EE51998.3649336.572661.79
363II60711.657765.982945.62
364FF44564.0868822.57-24258.49
365RR52139.0852776.55-637.47
366LL53161.5351107.352054.18
367DD31299.4541255.36-9955.91
368EE12517.8226957.85-14440.03
369AA1605.6124651.22-23045.61
370LL16627.7747249.07-30621.3
371RR7893.0535737.81-27844.76
372KK5563.8622597.8-17033.94
373GG5786.584404.51382.08
374HH15960.029847.826112.2
375SS5138.241809.03329.24
376EE10891.362256.058635.31
377GG660.8382.7578.13
378GG199.9423.95175.99
379X-7278.59--
380X-231.21--
381VV15153.730987.54-15833.84
382DD16930.1937545.87-20615.69
383MM15054.5249731.69-34677.17
384SS3042.2437128.47-34086.23
385NN8782.6950555.7-41773.02
386VV5507.6849708.85-44201.17
387VV33881.7650645.11-16763.34
388KK52748.5261392.48-8643.96
389TT41003.9449577.87-8573.93
390YY66985.4970892.24-3906.75
391DD52887.9547282.65605.35
392LL59673.1456223.423449.72
393QQ50186.3653041.82-2855.45
394DD48873.3935282.7813590.6
395GG29697.5517418.6612278.89
396SS40678.1938221.012457.18
397KK51539.0662073.45-10534.38
398VV51651.5452034.92-383.38
399HH52060.2468477.33-16417.09
400VV49759.5451766.95-2007.41
401FF66258.3569167.53-2909.18
402KK47738.6346014.821723.81
403DD44712.9343385.321327.62
404GG28854.5232119.39-3264.88
405KK55906.446156.929749.48
406MM67442.164138.783303.32
407GG31362.6430194.581168.06
408MM65625.164328.921296.18
409EE44010.2452085.15-8074.91
410NN51084.9249917.621167.31
411KK45897.8654713.68-8815.82
412FF46286.6156044.45-9757.84
413GG27106.1829482.91-2376.73
414KK39208.7849602.83-10394.05
415SS39447.7331769.757677.98
416MM52707.4853639.42-931.94
417NN56231.9441536.4214695.52
418MM68978.1859316.19662.08
419PP51783.0546865.554917.5
420EE46435.8553524.47-7088.62
421GG30277.0829737.07540.01
422KK62197.5850248.3911949.18
423VV52140.3549993.472146.89
424MM69418.6361589.347829.29
425EE57738.7351481.776256.96
426TT49091.747689.111402.59
427RR53191.6352122.641069.0
428DD45379.4436833.758545.69
429GG30796.1228674.82121.32
430TT48374.6840543.747830.94
431KK54787.4554193.49593.96
432II55685.7357806.98-2121.25
433II53816.3156968.68-3152.38
434MM68776.0559808.688967.37
435KK50774.555810.29-5035.79
436GG31180.3824667.326513.06
437NN55466.435546.7219919.69
438EE50715.7446036.544679.2
439II58731.5858016.81714.77
440FF54425.7468755.45-14329.71
441RR53805.2555189.76-1384.51
442LL46360.4751954.08-5593.61
443DD35214.6540502.04-5287.39
444EE3974.4432182.84-28208.4
445AA7243.9931348.22-24104.23
446LL6433.1742370.21-35937.04
447RR17080.6631332.75-14252.09
448KK20699.8626612.89-5913.03
449GG9189.015454.753734.26
450HH18814.1519999.97-1185.82
451SS8904.453675.275229.18
452EE7158.47791.676366.8
453GG6482.9878.356404.64
454GG6053.795.026048.77
455X-6904.14--
456X-1647.82--
457VV11406.1520425.78-9019.63
458DD6258.4424453.4-18194.96
459MM1042.9451963.73-50920.79
460SS2063.6336462.26-34398.62
461NN6994.351192.18-44197.88
462VV18334.6448700.65-30366.01
463VV25892.3551201.74-25309.39
464KK56989.3761763.26-4773.89
465TT46221.147570.73-1349.64
466YY70988.1967829.263158.93
467DD50453.5347428.13025.43
468LL59883.7851865.378018.41
469QQ47438.7649147.79-1709.04
470DD45992.3536118.679873.68
471GG31528.9726249.685279.29
472SS41265.5641751.85-486.29
473KK57151.560478.99-3327.48
474VV50314.7352177.48-1862.75
475HH61158.3869302.26-8143.88
476VV51854.8351117.61737.22
477FF68187.6468510.44-322.8
478KK46039.2848823.56-2784.28
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