Analysis of pair 2kkwA_2n0aD

2kkwA vs 2n0aD

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] 2kkwA vs. 2n0aD (unaligned) — interactive
[missing] 2kkwA vs. 2n0aD (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--0.360.180.310.180.00.00.0---
000--0.330.210.280.190.00.00.0009; 004; 009; 004; 001; 007; 007; 003; 010; 0100.30; 0.29; 0.29; 0.26; 0.25; 0.25; 0.25; 0.24; 0.24; 0.240.17; 0.23; 0.16; 0.22; 0.21; 0.27; 0.26; 0.20; 0.15; 0.14
001--0.350.250.330.20.00.00.0010; 010; 002; 004; 005; 005; 002; 004; 003; 0030.31; 0.31; 0.30; 0.30; 0.30; 0.30; 0.30; 0.29; 0.28; 0.280.16; 0.18; 0.15; 0.19; 0.16; 0.16; 0.15; 0.18; 0.17; 0.17
002--0.320.220.310.220.00.00.0002; 005; 002; 005; 003; 003; 001; 001; 004; 0100.26; 0.26; 0.26; 0.26; 0.25; 0.25; 0.24; 0.23; 0.23; 0.230.19; 0.17; 0.19; 0.17; 0.17; 0.16; 0.16; 0.16; 0.17; 0.15

Aligned per-residue ΔΔG

aln_posaa1aa2E1E2dEdiff
1M-63387.42--
2D-62275.3--
3V-83803.93--
4F-87531.47--
5M-87814.98--
6K-89757.88--
7G-55343.67--
8L-84516.44--
9S-70369.53--
10K-92827.23--
11A-64365.25--
12K-89344.66--
13E-84450.63--
14G-50473.84--
15V-87222.99--
16V-90842.07--
17A-64212.2--
18A-60139.43--
19A-61700.73--
20E-90872.31--
21K-86916.66--
22T-77390.13--
23K-99406.79--
24Q-84070.75--
25G-50984.12--
26V-84645.04--
27A-63835.91--
28E-79407.26--
29A-61512.18--
30A-57225.0--
31G-42320.15--
32K-63292.95--
33T-62413.51--
34K-56328.67--
35E-19656.12--
36G-12890.88--
37V-31272.32--
38L-23158.61--
39Y-6305.05--
40V-11998.82--
41G-4673.9--
42S-13315.85--
43K-16700.47--
44T-12931.55--
45K-20943.79--
46E-7992.41--
47G-10226.56--
48V-15108.35--
49V-14470.65--
50H-9668.35--
51G-10072.55--
52V-15957.78--
53A-4551.84--
54T-10674.4--
55V-19142.16--
56A-8555.83--
57E-8409.51--
58K-15974.9--
59T-15393.35--
60K-10710.37--
61E-6746.82--
62Q-21527.64--
63V-15396.44--
64T-5125.8--
65N-11663.12--
66V-15239.64--
67G-6247.06--
68G-6113.73--
69A-14967.27--
70V-13221.32--
71V-9788.22--
72T-14058.34--
73G-9337.69--
74V-10877.8--
75T-8362.24--
76A-11927.71--
77V-13377.96--
78A-8046.76--
79Q-11632.94--
80K-26623.25--
81T-10273.74--
82V-11363.6--
83E-10319.54--
84G-9889.25--
85A-9690.69--
86G-6552.91--
87S-7642.49--
88I-20847.37--
89A-11443.82--
90A-7058.4--
91A-8385.76--
92T-17208.43--
93G-4341.7--
94F-12965.21--
95V-5732.83--
96K-1439.07--
97K-551.12--
98D-1069.32--
99Q-870.94--
100L-14.77--
101G-711.79--
102K-467.05--
103N-68.04--
104E-1863.16--
105E-0.83--
106G-0.31--
107A-55.47--
108P-293.87--
109Q-118.13--
110E-907.06--
111G-9.36--
112I-817.56--
113L-191.2--
114E-526.28--
115D-650.21--
116M-433.21--
117P-120.06--
118V-773.1--
119D-926.89--
120P-422.24--
121D-1153.55--
122N-6.67--
123E-33.43--
124A-136.21--
125Y-1244.81--
126E-404.27--
127M-277.75--
128P-138.99--
129S-1322.42--
130E-616.92--
131E-657.43--
132G-137.62--
133Y-1.98--
134Q-1.7--
135D-1.57--
136Y-1.74--
137E-5.84--
138P--1.2--
139E-0.47--
140A-1.65--
141M-53627.76--
142D-68594.03--
143V-84737.26--
144F-80112.63--
145M-78741.93--
146K-94952.53--
147G-53871.46--
148L-90866.12--
149S-72766.94--
150K-79417.51--
151A-66505.53--
152K-94837.03--
153E-82736.86--
154G-49094.85--
155V-91612.6--
156V-87432.07--
157A-57819.21--
158A-62772.27--
159A-66780.95--
160E-74058.79--
161K-81366.85--
162T-84047.99--
163K-92447.97--
164Q-85415.79--
165G-53855.77--
166V-89401.11--
167A-63687.27--
168E-88062.87--
169A-63014.57--
170A-51292.46--
171G-43426.04--
172K-76873.56--
173T-49757.06--
174K-42986.42--
175E-49487.21--
176G-26915.94--
177V-39904.51--
178L-30324.7--
179Y-25074.85--
180V-9290.08--
181G-1923.81--
182S-1933.39--
183K-16477.2--
184T-10372.14--
185K-7972.03--
186E-5648.22--
187G-8336.9--
188V-10890.64--
189V-5435.5--
190H-11834.12--
191G-10077.26--
192V-9202.74--
193A-3186.73--
194T-14814.23--
195V-12287.76--
196A-4380.41--
197E-10038.8--
198K-23393.73--
199T-8176.41--
200K-7158.92--
201E-9858.08--
202Q-16483.99--
203V-6712.85--
204T-3846.05--
205N-14393.21--
206V-9967.08--
207G-2044.49--
208G-3238.15--
209A-11583.69--
210V-5709.85--
211V-4023.72--
212T-10966.86--
213G-9030.74--
214V-5000.59--
215T-3775.78--
216A-10153.41--
217V-9090.33--
218A-2928.38--
219Q-6381.72--
220K-23604.22--
221T-6032.12--
222V-4792.28--
223E-7922.61--
224G-8643.19--
225A-3782.3--
226G-1236.5--
227S-8642.32--
228I-11615.34--
229A-3197.73--
230A-3311.3--
231A-10459.98--
232T-9207.28--
233G-4887.44--
234F-5144.79--
235V-73.75--
236K-1799.6--
237K-1.28--
238D-1.01--
239Q-777.48--
240L-3.14--
241G-474.58--
242K-1591.57--
243N-1813.19--
244E-87.6--
245E-1362.42--
246G-1.03--
247A-3.22--
248P-1.37--
249Q-2.62--
250E-73.15--
251G-1034.5--
252I-3536.47--
253L-2324.46--
254E-2502.24--
255D-663.53--
256M-279.39--
257P-1233.31--
258V-2058.13--
259D-271.5--
260P-2.79--
261D-1.76--
262N-1.94--
263E-1.58--
264A-0.29--
265Y-1.85--
266E-0.04--
267M-18.21--
268P-4.89--
269S-0.97--
270E-42.5--
271E-2.72--
272G-1.78--
273Y-2.78--
274Q-3.23--
275D-0.51--
276Y-3.89--
277E-9.45--
278P--2.02--
279E-1.47--
280A-3.15--
281M-61445.79--
282D-72348.31--
283V-84567.29--
284F-91076.09--
285M-82524.19--
286K-83679.63--
287G-56229.85--
288L-91871.42--
289S-72728.63--
290K-105276.21--
291A-66356.03--
292K-96711.34--
293E-88336.38--
294G-50442.33--
295V-87883.84--
296V-91227.23--
297A-64529.2--
298A-58233.98--
299A-58845.93--
300E-91849.72--
301K-82541.11--
302T-74993.12--
303K-99736.62--
304Q-83767.9--
305G-52147.22--
306V-86743.25--
307A-64071.49--
308E-83946.84--
309A-65168.97--
310A-54656.18--
311G-31091.61--
312K-82012.14--
313T-53137.98--
314K-48026.39--
315E-53833.73--
316G-17390.44--
317V-7930.7--
318L-3522.1--
319Y-14091.73--
320V-12655.79--
321G-4835.14--
322S-9034.42--
323K-17208.9--
324T-6605.03--
325K-12435.69--
326E-11518.88--
327G-9746.22--
328V-8736.24--
329V-16055.65--
330H-15950.22--
331G-8274.53--
332V-13368.05--
333A-11782.47--
334T-10812.77--
335V-12116.68--
336A-14068.37--
337E-11618.64--
338K-12321.63--
339T-10502.41--
340K-16703.76--
341E-6886.19--
342Q-8576.82--
343V-14132.27--
344T-10666.9--
345N-3904.71--
346V-5234.51--
347G-10432.51--
348G-6309.6--
349A-3052.57--
350V-6782.45--
351V-18807.4--
352T-6409.15--
353G-3682.04--
354V-13125.23--
355T-15533.66--
356A-6538.0--
357V-5590.78--
358A-12739.9--
359Q-15400.34--
360K-7823.81--
361T-7603.62--
362V-16971.22--
363E-4770.64--
364G-5923.93--
365A-10662.58--
366G-8528.76--
367S-5020.23--
368I-9425.89--
369A-12092.27--
370A-5767.93--
371A-1180.98--
372T-3463.54--
373G-4587.55--
374F-15106.21--
375V-7747.28--
376K-1942.16--
377K-638.97--
378D-1044.69--
379Q-2523.65--
380L-766.09--
381G-502.23--
382K-215.34--
383N-708.13--
384E-812.84--
385E-1605.53--
386G-761.03--
387A-913.83--
388P-227.99--
389Q-1183.91--
390E-1870.44--
391G-17.85--
392I-4.14--
393L-141.11--
394E-1847.04--
395D-86.29--
396M-2074.26--
397P-1925.23--
398V-430.9--
399D-185.37--
400P-1786.08--
401D-867.88--
402N-357.89--
403E-1170.0--
404A-998.15--
405Y-565.48--
406E-3.46--
407M-8.3--
408P-0.93--
409S-0.38--
410E-1.54--
411E-3.21--
412G-2.66--
413Y-7.3--
414Q-4.65--
415D-0.71--
416Y-2.54--
417E-6.32--
418P--1.43--
419E-0.13--
420A-1.02--
421M-65283.37--
422D-73364.86--
423V-81358.94--
424F-90130.54--
425M-90091.71--
426K-89391.68--
427G-54012.88--
428L-88673.53--
429S-74602.76--
430K-104732.85--
431A-66484.53--
432K-93441.03--
433E-83522.69--
434G-52154.86--
435V-92375.21--
436V-90736.39--
437A-61398.6--
438A-65154.38--
439A-66792.26--
440E-86119.92--
441K-81113.0--
442T-85118.08--
443K-97984.81--
444Q-91497.69--
445G-53881.22--
446V-90416.56--
447A-65635.87--
448E-90011.54--
449A-61589.14--
450A-54767.63--
451G-48244.19--
452K-83456.72--
453T-47403.46--
454K-19696.55--
455E-6367.61--
456G-6778.22--
457V-49075.97--
458L-28408.58--
459Y-11075.46--
460V-9449.43--
461G-1381.24--
462S-4929.67--
463K-20167.94--
464T-5004.51--
465K-3990.31--
466E-9907.21--
467G-6155.21--
468V-1351.97--
469V-4500.82--
470H-17693.32--
471G-2580.74--
472V-1483.46--
473A-4160.35--
474T-13222.77--
475V-2546.63--
476A-2784.0--
477E-13247.45--
478K-13122.84--
479T-3113.77--
480K-7559.95--
481E-17769.67--
482Q-9655.16--
483V-3978.07--
484T-8136.97--
485N-21051.08--
486V-6870.24--
487G-5203.13--
488G-8485.67--
489A-10598.37--
490V-5574.06--
491V-9570.92--
492T-15994.22--
493G-6166.34--
494V-4325.22--
495T-9639.18--
496A-14703.76--
497V-6255.62--
498A-4585.06--
499Q-13054.51--
500K-27176.41--
501T-5445.95--
502V-5772.22--
503E-11132.93--
504G-9023.1--
505A-8809.65--
506G-7026.45--
507S-12308.89--
508I-17182.24--
509A-7730.54--
510A-4976.96--
511A-6220.16--
512T-8581.98--
513G-2474.19--
514F-6085.45--
515V-4180.52--
516K-458.21--
517K-1308.84--
518D-1126.86--
519Q-1910.69--
520L-1561.13--
521G-11.43--
522K-491.84--
523N-537.9--
524E-3087.66--
525E-3051.41--
526G-884.37--
527A-829.85--
528P-746.74--
529Q-1521.48--
530E-3555.66--
531G-2101.09--
532I-2004.23--
533L-2245.39--
534E-2670.73--
535D-352.53--
536M-307.41--
537P--2.25--
538V-3.54--
539D-4.36--
540P--0.54--
541D-2.41--
542N-2.16--
543E-2.92--
544A-1.9--
545Y-842.49--
546E-5.11--
547M-4.37--
548P-7.61--
549S-40.9--
550E-11601.17--
551E-19923.81--
552G-3612.85--
553Y-2805.7--
554Q-2662.92--
555D-4941.04--
556Y-22279.15--
557E-6688.0--
558P-3506.06--
559E-1120.26--
560A-1681.13--
561M-44881.65--
562D-80206.05--
563V-67249.31--
564F-72881.95--
565M-84218.59--
566K-95886.57--
567G-50374.19--
568L-84071.46--
569S-71420.68--
570K-101762.21--
571A-66759.21--
572K-92380.43--
573E-86004.89--
574G-53522.62--
575V-91294.69--
576V-79007.88--
577A-56526.59--
578A-66302.85--
579A-55804.66--
580E-58885.7--
581K-83749.11--
582T-78381.31--
583K-75351.85--
584Q-83592.29--
585G-56128.94--
586V-82219.82--
587A-65842.33--
588E-77552.09--
589A-54131.52--
590A-60957.4--
591G-39225.14--
592K-58399.5--
593T-49156.82--
594K-21023.0--
595E-22095.64--
596G-31208.37--
597V-50550.18--
598L-38381.48--
599Y-17869.52--
600V-14348.9--
601G-3916.46--
602S-4105.35--
603K-12882.52--
604T-11524.97--
605K-13133.02--
606E-10583.1--
607G-8116.15--
608V-10788.19--
609V-13672.87--
610H-19075.76--
611G-7318.92--
612V-17702.1--
613A-12580.38--
614T-11447.19--
615V-8077.75--
616A-13686.95--
617E-15118.09--
618K-12973.6--
619T-12389.49--
620K-21643.07--
621E-16576.69--
622Q-8371.98--
623V-16048.64--
624T-14130.94--
625N-13458.53--
626V-11262.11--
627G-9541.42--
628G-9136.41--
629A-8123.34--
630V-11618.76--
631V-20219.03--
632T-12212.44--
633G-5815.65--
634V-14340.97--
635T-16616.54--
636A-8874.01--
637V-8937.76--
638A-13661.82--
639Q-18335.14--
640K-11516.52--
641T-5968.89--
642V-22889.55--
643E-16068.55--
644G-5861.77--
645A-6050.25--
646G-10406.07--
647S-9302.87--
648I-8278.35--
649A-13086.92--
650A-10810.03--
651A-7214.96--
652T-5546.22--
653G-11507.01--
654F-22863.89--
655V-3590.28--
656K-7735.56--
657K-9445.4--
658D-4430.73--
659Q-5552.68--
660L-1679.54--
661G-521.84--
662K-2050.16--
663N-733.81--
664E-591.46--
665E-1971.17--
666G-56.16--
667A-4.09--
668P-0.15--
669Q-302.17--
670E-259.73--
671G-0.2--
672I-1080.54--
673L-873.03--
674E-1753.75--
675D-941.72--
676M-2418.79--
677P-8.99--
678V-33.8--
679D-397.63--
680P-284.95--
681D-553.57--
682N-1157.05--
683E-1616.26--
684A-114.95--
685Y-39.27--
686E-875.13--
687M-1765.93--
688P-25.43--
689S-1609.44--
690E-1918.53--
691E-2713.39--
692G-1265.75--
693Y-840.68--
694Q-2.26--
695D-1248.25--
696Y-421.3--
697E-1123.5--
698P-2027.07--
699E-1433.03--
700A-1356.61--
701M-62987.94--
702D-66415.5--
703V-78257.38--
704F-92140.29--
705M-82468.29--
706K-84932.89--
707G-56626.61--
708L-88552.29--
709S-71794.75--
710K-102899.64--
711A-64716.58--
712K-92654.15--
713E-86533.31--
714G-50363.61--
715V-85175.75--
716V-89567.36--
717A-64639.5--
718A-56409.93--
719A-56457.4--
720E-89685.55--
721K-86259.81--
722T-72237.3--
723K-94280.14--
724Q-89246.73--
725G-50964.37--
726V-81838.14--
727A-64823.46--
728E-87934.4--
729A-62473.12--
730A-57715.57--
731G-23560.04--
732K-52252.94--
733T-63534.82--
734K-34546.21--
735E-52053.08--
736G-16054.84--
737V-15882.51--
738L-24221.86--
739Y-20737.46--
740V-10763.64--
741G-6383.57--
742S-7694.44--
743K-24087.4--
744T-8395.44--
745K-13636.43--
746E-10065.55--
747G-8327.26--
748V-9180.93--
749V-9031.38--
750H-21069.44--
751G-8943.57--
752V-9381.87--
753A-5463.66--
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