Analysis of pair 2kb8A_6vw2A

2kb8A vs 6vw2A

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] 2kb8A vs. 6vw2A (unaligned) — interactive
[missing] 2kb8A vs. 6vw2A (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--0.540.20.60.150.00.030.0---
000--0.380.180.240.160.00.00.0008; 008; 003; 003; 006; 006; 009; 009; 002; 0020.54; 0.54; 0.45; 0.45; 0.43; 0.42; 0.40; 0.40; 0.39; 0.390.12; 0.13; 0.13; 0.13; 0.14; 0.14; 0.17; 0.17; 0.14; 0.17
001--0.510.170.570.150.00.00.0006; 006; 004; 004; 002; 002; 003; 003; 008; 0080.48; 0.48; 0.45; 0.45; 0.44; 0.44; 0.43; 0.43; 0.42; 0.420.16; 0.17; 0.13; 0.13; 0.13; 0.13; 0.15; 0.15; 0.10; 0.17

Aligned per-residue ΔΔG

aln_posaa1aa2E1E2dEdiff
1K-11272.78--
2C-21628.21--
3N-30213.98--
4T-39883.41--
5A-35504.37--
6T-68848.9--
7C-66595.31--
8A-56247.48--
9T-71454.3--
10Q-77195.02--
11R-94850.48--
12L-86081.77--
13A-57130.4--
14N-76840.2--
15F-97743.22--
16L-79791.99--
17V-66932.78--
18H-76265.81--
19S-42540.76--
20S-38392.32--
21N-44374.53--
22N-36750.73--
23F-38115.59--
24G-16783.44--
25A-15762.63--
26I-22317.54--
27L-16272.06--
28S-11147.7--
29S-5561.98--
30T-6247.42--
31N-4348.41--
32V-4060.73--
33G-1566.49--
34S-1144.72--
35N-108.79--
36T-3.86--
37Y-2467.69--
38K-18175.69--
39C-47016.54--
40N-37222.56--
41T-60294.63--
42A-42273.9--
43T-67075.89--
44C-72849.85--
45A-55564.07--
46T-73505.73--
47Q-69616.35--
48R-94421.7--
49L-87115.77--
50A-53930.49--
51N-77166.45--
52F-101423.94--
53L-74265.82--
54V-66217.53--
55H-83468.85--
56S-31781.1--
57S-20577.37--
58N-39228.85--
59N-42053.86--
60F-28272.06--
61G-10457.49--
62A-20042.41--
63I-25981.92--
64L-10022.63--
65S-4927.25--
66S-5671.85--
67T-4873.5--
68N-6118.64--
69V-11684.28--
70G-7964.45--
71S-4874.33--
72N-1123.4--
73T-328.97--
74Y-3994.43--
75K-2764.42--
76C-36204.44--
77N-19984.72--
78T-35210.85--
79A-26301.88--
80T-62810.74--
81C-63976.37--
82A-56038.73--
83T-69266.67--
84Q-74533.61--
85R-89199.68--
86L-84540.11--
87A-59297.65--
88N-74794.88--
89F-102757.6--
90L-82836.84--
91V-62207.9--
92H-71649.24--
93S-56608.1--
94S-44436.98--
95N-27467.54--
96N-33356.67--
97F-46850.32--
98G-17358.94--
99A-15988.68--
100I-29053.94--
101L-21122.54--
102S-9843.11--
103S-10485.42--
104T-9174.46--
105N-14814.34--
106V-5905.53--
107G-1913.52--
108S-5341.51--
109N-14228.9--
110T-7106.32--
111Y-3951.06--
112K-13551.39--
113C-35436.38--
114N-41556.93--
115T-62725.11--
116A-46943.55--
117T-64958.32--
118C-74224.66--
119A-55187.32--
120T-72625.5--
121Q-80686.46--
122R-95588.96--
123L-86100.25--
124A-56225.21--
125N-79871.73--
126F-102968.91--
127L-79881.0--
128V-65419.33--
129H-81209.11--
130S-45007.95--
131S-46320.31--
132N-49180.27--
133N-20833.12--
134F-32510.82--
135G-12061.67--
136A-7860.79--
137I-6264.36--
138L-10046.91--
139S-4724.87--
140S-2315.16--
141T-2349.99--
142N-700.44--
143V-2686.79--
144G-8.17--
145S-385.64--
146N-1689.52--
147T-424.31--
148Y-15.54--
149K-1098.64--
150C-9441.48--
151N-37183.48--
152T-42526.22--
153A-50367.28--
154T-69506.36--
155C-52488.47--
156A-55478.87--
157T-67019.86--
158Q-78283.42--
159R-95033.5--
160L-83458.27--
161A-51323.43--
162N-82567.41--
163F-94960.91--
164L-75910.65--
165V-67234.63--
166H-62493.34--
167S-45421.27--
168S-48733.83--
169N-31873.71--
170N-22058.56--
171F-38637.39--
172G-20294.63--
173A-16630.32--
174I-12193.66--
175L-18955.34--
176S-12876.3--
177S-5513.17--
178T-8457.55--
179N-1026.65--
180V-344.79--
181G-444.81--
182S-2115.57--
183N-5047.92--
184T-3453.07--
185Y-1541.78--
186K-16879.36--
187C-36580.3--
188N-26532.11--
189T-52965.22--
190A-48995.86--
191T-61527.22--
192C-59201.58--
193A-56697.48--
194T-73411.23--
195Q-75620.42--
196R-88547.45--
197L-87616.47--
198A-57846.66--
199N-78483.31--
200F-101970.55--
201L-79079.28--
202V-60053.93--
203H-79768.95--
204S-52614.79--
205S-39479.69--
206N-37948.51--
207N-44908.21--
208F-24025.9--
209G-9873.41--
210A-18516.74--
211I-23647.27--
212L-5708.55--
213S-7556.45--
214S-9826.4--
215T-7346.43--
216N-4686.77--
217V-3391.77--
218G-1318.36--
219S-527.59--
220N-2357.7--
221T-2195.06--
222Y-2100.38--
223K-13374.37--
224C-38751.73--
225N-38125.77--
226T-58103.92--
227A-48184.3--
228T-70776.4--
229C-69170.9--
230A-57163.79--
231T-72041.03--
232Q-73334.21--
233R-95559.66--
234L-84482.65--
235A-54070.91--
236N-83520.04--
237F-99185.75--
238L-81181.5--
239V-70086.56--
240H-74846.89--
241S-42171.34--
242S-43194.11--
243N-48540.73--
244N-34249.38--
245F-40145.99--
246G-18926.22--
247A-16426.77--
248I-16993.78--
249L-20830.54--
250S-10901.68--
251S-9210.65--
252T-10441.57--
253N-5601.94--
254V-8217.86--
255G-2472.06--
256S-1286.28--
257N-2204.81--
258T-42.42--
259Y-12.18--
260K-16534.54--
261C-43488.89--
262N-40396.73--
263T-53682.74--
264A-48958.03--
265T-56438.14--
266C-67891.01--
267A-59457.68--
268T-68911.87--
269Q-71640.97--
270R-83487.32--
271L-86796.68--
272A-58114.87--
273N-70201.91--
274F-92519.1--
275L-76200.09--
276V-57467.91--
277H-64712.22--
278S-55000.59--
279S-44307.17--
280N-30877.1--
281N-30138.05--
282F-39125.76--
283G-22572.59--
284A-23374.94--
285I-28558.1--
286L-26945.17--
287S-17329.4--
288S-11710.04--
289T-7893.68--
290N-8089.92--
291V-9310.77--
292G-6829.61--
293S-4976.66--
294N-2162.18--
295T-2139.46--
296Y-1458.81--
297K-15451.53--
298C-33417.59--
299N-21690.33--
300T-26403.85--
301A-26189.38--
302T-61609.26--
303C-62280.02--
304A-55764.86--
305T-66665.61--
306Q-72482.32--
307R-78133.76--
308L-87419.6--
309A-51252.11--
310N-65915.15--
311F-98213.66--
312L-63570.77--
313V-58485.4--
314H-78297.21--
315S-23734.48--
316S-9766.97--
317N-45353.62--
318N-20013.1--
319F-13133.7--
320G-8915.97--
321A-20969.7--
322I-14984.13--
323L-10155.66--
324S-9295.19--
325S-8553.69--
326T-3866.39--
327N-5836.66--
328V-3239.63--
329G-1219.92--
330S-1736.91--
331N-5.43--
332T-469.27--
333Y-12.36--
334K-8513.96--
335C-38779.91--
336N-37704.52--
337T-61259.8--
338A-44580.83--
339T-66850.56--
340C-75493.89--
341A-57000.93--
342T-71594.44--
343Q-76117.19--
344R-95993.85--
345L-86990.9--
346A-55234.6--
347N-75504.18--
348F-100608.76--
349L-73570.98--
350V-65324.6--
351H-84430.59--
352S-27045.11--
353S-20298.53--
354N-46269.19--
355N-21276.92--
356F-7198.32--
357G-5459.5--
358A-11633.64--
359I-6304.32--
360L-3041.1--
361S-4751.37--
362S-3858.55--
363T-797.31--
364N-204.23--
365V-167.07--
366G-9.22--
367S-17.14--
368N-10.07--
369T-9.28--
370Y-11.61--
371K-18177.47--
372C-34391.66--
373N-38534.58--
374T-57404.13--
375A-49871.21--
376T-70836.33--
377C-67451.54--
378A-53025.6--
379T-72679.73--
380Q-73989.48--
381R-91579.89--
382L-81331.95--
383A-57321.38--
384N-81780.49--
385F-92555.08--
386L-84939.57--
387V-47941.71--
388H-53291.41--
389S-49677.25--
390S-44882.26--
391N-24021.28--
392N-36250.61--
393F-30928.36--
394G-3602.52--
395A-3952.44--
396I-9055.9--
397L-6495.67--
398S-1336.95--
399S-1931.08--
400T-2811.8--
401N-4037.29--
402V-809.66--
403G-572.24--
404S-230.07--
405N-1850.47--
406T-67.49--
407Y-16.01--
408K-20997.88--
409C-41489.8--
410N-36280.61--
411T-42971.4--
412A-37751.49--
413T-41790.42--
414C-72863.86--
415A-56066.05--
416T-66897.9--
417Q-74741.78--
418R-84999.8--
419L-86858.56--
420A-57694.53--
421N-70157.75--
422F-101202.01--
423L-71922.66--
424V-51855.98--
425H-78785.24--
426S-49661.17--
427S-23631.44--
428N-15811.63--
429N-47669.8--
430F-23120.13--
431G-2213.09--
432A-8632.8--
433I-22740.9--
434L-4809.47--
435S-3297.38--
436S-3802.42--
437T-8117.67--
438N-11154.06--
439V-11230.39--
440G-3699.72--
441S-3095.01--
442N-2582.07--
443T-2962.71--
444Y-7367.37--
445K-27805.47--
446C-44114.55--
447N-28154.11--
448T-41307.18--
449A-44334.35--
450T-50208.39--
451C-66554.0--
452A-56706.96--
453T-67170.69--
454Q-75921.42--
455R-100194.65--
456L-77177.15--
457A-49489.96--
458N-79375.51--
459F-96861.06--
460L-80737.25--
461V-49623.63--
462H-44382.01--
463S-49797.63--
464S-41947.76--
465N-12518.84--
466N-6116.16--
467F-36650.34--
468G-3702.73--
469A-289.87--
470I-18.92--
471L-3315.3--
472S-890.15--
473S-12.77--
474T-761.72--
475N-480.49--
476V-193.74--
477G-554.48--
478S-56.82--
479N-8.2--
480T-11.43--
481Y-11.37--
482K-12134.86--
483C-37480.23--
484N-29874.07--
485T-55582.32--
486A-53474.42--
487T-69434.62--
488C-70277.12--
489A-57915.98--
490T-70363.87--
491Q-78797.1--
492R-95268.75--
493L-83186.12--
494A-58430.79--
495N-72843.8--
496F-98551.12--
497L-84765.03--
498V-62927.42--
499H-70883.77--
500S-52931.46--
501S-47123.33--
502N-30975.28--
503N-29429.39--
504F-51802.31--
505G-16739.72--
506A-11735.86--
507I-22410.73--
508L-27013.23--
509S-9975.69--
510S-7523.89--
511T-11948.31--
512N-8221.34--
513V-4267.84--
514G-2104.2--
515S-3416.13--
516N-4819.2--
517T-1671.79--
518Y-705.92--
519K-14825.65--
520C-40378.97--
521N-39808.94--
522T-59212.36--
523A-34821.59--
524T-52523.09--
525C-73023.27--
526A-56073.81--
527T-68177.11--
528Q-69661.93--
529R-81986.41--
530L-85210.57--
531A-57015.87--
532N-68712.06--
533F-96120.78--
534L-78354.78--
535V-59945.89--
536H-68115.11--
537S-51409.02--
538S-36355.03--
539N-31434.99--
540N-46564.37--
541F-33601.46--
542G-12724.74--
543A-16289.91--
544I-29364.34--
545L-16005.47--
546S-7753.72--
547S-10148.76--
548T-6794.01--
549N-6298.45--
550V-8128.59--
551G-2085.24--
552S-4076.74--
553N-1413.3--
554T-2271.68--
555Y-7986.97--
556K-9179.3--
557C-29431.94--
558N-35215.33--
559T-59573.45--
560A-29333.4--
561T-51855.14--
562C-75231.59--
563A-52032.95--
564T-65669.26--
565Q-72897.79--
566R-91910.54--
567L-84472.2--
568A-58486.58--
569N-74440.11--
570F-98965.09--
571L-73219.67--
572V-45720.21--
573H-59917.97--
574S-57984.01--
575S-30123.2--
576N-9098.43--
577N-29816.23--
578F-19532.51--
579G-1147.26--
580A-1110.7--
581I-6975.09--
582L-6136.07--
583S-1516.2--
584S-2349.42--
585T-4982.19--
586N-2820.1--
587V-675.96--
588G-913.97--
589S-1454.66--
590N-13.06--
591T-15.05--
592Y-8.31--
593K-8455.64--
594C-39907.77--
595N-14170.94--
596T-59426.01--
597A-42195.92--
598T-70442.96--
599C-72373.47--
600A-55591.83--
601T-69477.21--
602Q-79591.07--
603R-96615.09--
604L-82346.19--
605A-57807.43--
606N-76099.32--
607F-99718.74--
608L-79441.54--
609V-65452.69--
610H-80633.8--
611S-51923.02--
612S-41909.91--
613N-33772.52--
614N-47199.15--
615F-36475.94--
616G-11871.54--
617A-11663.85--
618I-26969.05--
619L-14722.56--
620S-5456.02--
621S-5926.16--
622T-6593.69--
623N-2718.72--
624V-2781.46--
625G-802.01--
626S-1931.76--
627N-547.97--
628T-307.41--
629Y-1861.06--
630K-17970.61--
631C-39584.88--
632N-42258.46--
633T-58218.81--
634A-53295.72--
635T-67461.55--
636C-69833.63--
637A-56425.66--
638T-68521.61--
639Q-81739.47--
640R-94786.72--
641L-84038.37--
642A-57392.07--
643N-80630.08--
644F-96709.6--
645L-82987.31--
646V-64445.91--
647H-66997.1--
648S-47365.91--
649S-47970.48--
650N-27572.58--
651N-16651.49--
652F-47184.88--
653G-9736.19--
654A-6442.11--
655I-7420.15--
656L-11468.84--
657S-2498.61--
658S-1608.31--
659T-1799.33--
660N-3674.51--
661V-2870.12--
662G-1406.55--
663S-1005.73--
664N-809.94--
665T-28.55--
666Y-346.26--
667K-7930.1--
668C-23330.29--
669N-36811.99--
670T-53003.81--
671A-33537.22--
672T-72945.78--
673C-64917.05--
674A-52253.28--
675T-68535.23--
676Q-72998.12--
677R-91817.97--
678L-85900.88--
679A-56719.81--
680N-80631.28--
681F-99255.31--
682L-75862.71--
683V-67683.09--
684H-52750.87--
685S-29466.7--
686S-37957.81--
687N-40849.45--
688N-15463.99--
689F-28030.57--
690G-10528.36--
691A-4130.9--
692I-7669.93--
693L-17071.17--
694S-2329.57--
695S-1522.22--
696T-3428.14--
697N-80.38--
698V-4398.14--
699G-692.49--
700S-3426.09--
701N-4643.98--
702T-8437.22--
703Y-18756.96--
704K-606.03--
705C-3075.23--
706N-22362.28--
707T-49687.72--
708A-54717.74--
709T-58122.77--
710C-33032.61--
711A-56180.14--
712T-72096.79--
713Q-67079.72--
714R-85367.74--
715L-78250.84--
716A-56193.63--
717N-75194.91--
718F-99161.27--
719L-82971.28--
720V-59110.87--
721H-65046.98--
722S-56036.51--
723S-38850.53--
724N-29833.55--
725N-29879.35--
726F-51189.09--
727G-20506.4--
728A-17956.74--
729I-27579.24--
730L-23422.77--
731S-12236.67--
732S-9757.28--
733T-7460.02--
734N-5215.17--
735V-10194.86--
736G-2140.63--
737S-3731.09--
738N-437.17--
739T-1152.22--
740Y-1008.64--
741K-20397.91--
742C-40720.97--
743N-35554.98--
744T-54927.69--
745A-49168.31--
746T-63759.33--
747C-72324.62--
748A-57228.42--
749T-72219.96--
750Q-72458.52--
751R-95810.84--
752L-87075.72--
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