Analysis of 1jfkA

Cluster metrics table

cluster	n	neff	AF2_TM1	AF2_TM2	AF3_TM1	AF3_TM2	RE-MSAT-COM	RE-MSAT1	RE-MSAT2	ESM_SEQIDS	ESM_TM1_LIST	ESM_TM2_LIST
Deep	-	-	0.46	0.46	0.45	0.46	0.25	0.36	0.35	-	-	-
000	-	-	0.41	0.44	0.43	0.46	0.0	0.12	0.04	001; 001; 003; 003; 007; 007; 004; 004; 006; 008	0.46; 0.46; 0.44; 0.44; 0.42; 0.42; 0.41; 0.41; 0.37; 0.37	0.61; 0.61; 0.42; 0.42; 0.66; 0.66; 0.45; 0.45; 0.70; 0.80
001	-	-	0.42	0.46	0.44	0.6	0.05	0.05	0.12	001; 001; 003; 002; 005; 005; 002; 003; 010; 010	0.45; 0.45; 0.44; 0.44; 0.44; 0.44; 0.44; 0.44; 0.40; 0.40	0.65; 0.65; 0.85; 0.51; 0.45; 0.45; 0.50; 0.85; 0.47; 0.47
002	-	-	0.38	0.44	0.42	0.44	0.05	0.06	0.1	008; 008; 001; 001; 004; 004; 003; 002; 002; 003	0.47; 0.47; 0.43; 0.43; 0.41; 0.41; 0.40; 0.40; 0.40; 0.40	0.40; 0.42; 0.47; 0.47; 0.54; 0.54; 0.45; 0.72; 0.72; 0.45
003	-	-	0.38	0.45	0.38	0.46	0.25	0.36	0.33	003; 003; 008; 002; 008; 002; 005; 007; 005; 007	0.51; 0.51; 0.47; 0.47; 0.47; 0.47; 0.46; 0.45; 0.45; 0.45	0.71; 0.70; 0.56; 0.45; 0.56; 0.45; 0.65; 0.61; 0.65; 0.61
004	-	-	0.41	0.43	0.4	0.44	0.05	0.05	0.13	007; 007; 008; 008; 006; 006; 003; 002; 002; 001	0.51; 0.50; 0.43; 0.43; 0.42; 0.42; 0.42; 0.42; 0.42; 0.41	0.46; 0.46; 0.45; 0.45; 0.45; 0.45; 0.60; 0.41; 0.41; 0.42
005	-	-	0.42	0.4	0.43	0.38	0.05	0.07	0.12	007; 007; 003; 003; 006; 006; 001; 001; 009; 009	0.52; 0.52; 0.47; 0.47; 0.47; 0.47; 0.42; 0.42; 0.41; 0.41	0.64; 0.64; 0.51; 0.51; 0.45; 0.45; 0.80; 0.80; 0.35; 0.35
006	-	-	0.45	0.46	0.45	0.46	0.24	0.36	0.34	002; 002; 006; 006; 003; 003; 009; 009; 004; 004	0.48; 0.48; 0.47; 0.47; 0.43; 0.43; 0.42; 0.42; 0.41; 0.41	0.47; 0.47; 0.71; 0.71; 0.41; 0.41; 0.45; 0.45; 0.59; 0.59
007	-	-	0.4	0.5	0.38	0.55	0.0	0.12	0.02	002; 002; 007; 007; 004; 004; 001; 001; 003; 005	0.45; 0.45; 0.43; 0.43; 0.42; 0.42; 0.41; 0.41; 0.39; 0.39	0.43; 0.43; 0.42; 0.42; 0.46; 0.46; 0.52; 0.52; 0.54; 0.44
008	-	-	0.42	0.44	0.39	0.71	0.05	0.07	0.11	009; 009; 003; 003; 001; 001; 004; 002; 002; 004	0.45; 0.45; 0.44; 0.44; 0.43; 0.43; 0.41; 0.41; 0.41; 0.41	0.44; 0.44; 0.71; 0.71; 0.44; 0.44; 0.66; 0.45; 0.45; 0.66
009	-	-	0.38	0.45	0.38	0.63	0.05	0.04	0.14	004; 004; 008; 008; 002; 002; 001; 001; 003; 007	0.47; 0.47; 0.46; 0.46; 0.44; 0.44; 0.43; 0.43; 0.42; 0.42	0.78; 0.79; 0.45; 0.45; 0.45; 0.45; 0.82; 0.82; 0.50; 0.51
010	-	-	0.41	0.44	0.4	0.57	0.05	0.05	0.11	003; 005; 003; 005; 001; 006; 001; 006; 008; 008	0.46; 0.46; 0.46; 0.46; 0.45; 0.45; 0.45; 0.45; 0.42; 0.42	0.69; 0.45; 0.69; 0.45; 0.61; 0.64; 0.61; 0.64; 0.71; 0.71
011	-	-	0.31	0.39	0.39	0.63	0.05	0.05	0.11	002; 002; 003; 003; 004; 001; 004; 001; 006; 006	0.43; 0.43; 0.42; 0.42; 0.40; 0.40; 0.40; 0.40; 0.37; 0.37	0.52; 0.52; 0.44; 0.44; 0.46; 0.54; 0.46; 0.54; 0.46; 0.46
012	-	-	0.46	0.53	0.43	0.54	0.0	0.09	0.02	003; 003; 006; 006; 008; 008; 001; 001; 010; 002	0.45; 0.45; 0.43; 0.43; 0.41; 0.41; 0.40; 0.40; 0.38; 0.38	0.59; 0.59; 0.42; 0.50; 0.38; 0.38; 0.48; 0.48; 0.36; 0.41
013	-	-	0.42	0.45	0.42	0.46	0.26	0.32	0.33	002; 003; 003; 007; 007; 004; 004; 006; 002; 006	0.45; 0.45; 0.45; 0.45; 0.45; 0.44; 0.44; 0.44; 0.44; 0.44	0.49; 0.41; 0.41; 0.43; 0.43; 0.49; 0.49; 0.42; 0.49; 0.42
014	-	-	0.35	0.44	0.35	0.64	0.05	0.06	0.11	002; 002; 001; 001; 004; 004; 003; 006; 008; 006	0.50; 0.50; 0.46; 0.46; 0.44; 0.44; 0.43; 0.43; 0.43; 0.43	0.43; 0.43; 0.43; 0.43; 0.63; 0.63; 0.65; 0.42; 0.45; 0.42
015	-	-	0.42	0.46	0.44	0.47	0.0	0.09	0.05	002; 002; 007; 003; 007; 003; 005; 001; 006; 001	0.48; 0.47; 0.46; 0.46; 0.46; 0.46; 0.45; 0.44; 0.44; 0.44	0.67; 0.67; 0.56; 0.48; 0.61; 0.48; 0.45; 0.46; 0.48; 0.46
016	-	-	0.44	0.47	0.44	0.46	0.27	0.27	0.36	003; 003; 004; 004; 007; 001; 007; 009; 001; 005	0.46; 0.46; 0.43; 0.43; 0.39; 0.39; 0.39; 0.39; 0.39; 0.39	0.59; 0.59; 0.69; 0.69; 0.39; 0.59; 0.39; 0.60; 0.60; 0.51
017	-	-	0.43	0.46	0.43	0.43	0.05	0.04	0.13	005; 005; 006; 006; 001; 004; 004; 001; 009; 009	0.47; 0.47; 0.46; 0.46; 0.43; 0.43; 0.43; 0.43; 0.39; 0.39	0.48; 0.48; 0.46; 0.46; 0.45; 0.60; 0.60; 0.45; 0.34; 0.34
018	-	-	0.46	0.44	0.42	0.45	0.04	0.04	0.12	008; 008; 004; 003; 004; 001; 003; 001; 009; 009	0.45; 0.45; 0.44; 0.44; 0.44; 0.44; 0.44; 0.43; 0.43; 0.43	0.49; 0.49; 0.44; 0.38; 0.44; 0.64; 0.38; 0.64; 0.43; 0.43
019	-	-	0.37	0.54	0.37	0.57	0.28	0.36	0.33	001; 001; 002; 006; 002; 006; 004; 004; 005; 005	0.48; 0.47; 0.45; 0.44; 0.44; 0.44; 0.43; 0.43; 0.42; 0.42	0.54; 0.54; 0.60; 0.56; 0.60; 0.56; 0.59; 0.59; 0.53; 0.53
020	-	-	0.34	0.41	0.3	0.41	0.21	0.4	0.31	005; 005; 006; 006; 004; 004; 003; 003; 009; 009	0.48; 0.48; 0.44; 0.44; 0.43; 0.43; 0.42; 0.42; 0.40; 0.40	0.47; 0.47; 0.49; 0.49; 0.45; 0.45; 0.49; 0.49; 0.37; 0.37

Aligned per-residue ΔΔG

aln_pos	aa1	aa2	E1	E2	dEdiff
1	M	-	9.31	-	-
2	A	A	1.2	0.49	0.7
3	E	E	9.09	5.83	3.26
4	A	A	1.51	1.55	-0.04
5	L	L	5.77	0.18	5.59
6	F	F	3.9	0.99	2.91
7	K	K	7.62	8.03	-0.41
8	E	E	5.96	1.18	4.79
9	I	I	4.8	-2.81	7.61
10	D	D	-1.82	-7.05	5.24
11	V	V	4.18	6.03	-1.85
12	N	N	8.81	-0.49	9.29
13	G	G	1.28	-0.44	1.72
14	D	D	7.32	-1.89	9.21
15	G	G	-0.77	-3.03	2.26
16	A	A	-0.64	-2.1	1.46
17	V	V	12.05	1.66	10.38
18	S	S	-0.45	-1.3	0.85
19	Y	Y	3.71	1.49	2.22
20	E	E	5.26	13.74	-8.48
21	E	E	5.38	-6.99	12.37
22	V	V	2.58	6.87	-4.29
23	K	K	7.34	-1.02	8.36
24	A	A	-0.19	-1.02	0.83
25	F	F	2.39	-1.96	4.35
26	V	V	5.84	0.51	5.33
27	S	S	3.23	-0.47	3.7
28	K	K	25.8	9.44	16.36
29	K	K	27.76	2.3	25.46
30	R	R	12.58	1.9	10.67
31	A	A	2.44	-0.98	3.42
32	I	I	15.96	-0.92	16.89
33	K	K	16.69	13.68	3.01
34	N	N	4.1	1.6	2.5
35	E	E	6.18	1.47	4.71
36	Q	Q	4.95	-1.02	5.97
37	L	L	10.29	-0.68	10.96
38	L	L	3.14	32.68	-29.55
39	Q	Q	6.45	2.98	3.47
40	L	L	5.98	2.87	3.11
41	I	I	2.38	-0.3	2.68
42	F	F	0.47	-1.58	2.06
43	K	K	14.14	6.86	7.28
44	S	S	10.9	12.24	-1.34
45	I	I	7.91	-1.38	9.28
46	D	D	1.11	-5.79	6.9
47	A	A	3.51	0.99	2.51
48	D	D	6.33	0.95	5.38
49	G	G	0.22	-0.28	0.5
50	N	N	7.34	2.91	4.43
51	G	G	-2.24	-2.82	0.58
52	E	E	5.68	-0.11	5.79
53	I	I	6.21	-1.15	7.36
54	D	D	0.66	-0.37	1.04
55	Q	Q	5.05	11.52	-6.47
56	N	N	3.26	1.79	1.47
57	E	E	-2.36	-6.32	3.96
58	F	F	-0.76	0.42	-1.18
59	A	A	-0.32	1.16	-1.48
60	K	K	17.18	7.13	10.05
61	F	F	5.86	-2.08	7.95
62	Y	Y	7.16	4.96	2.2
63	G	G	1.66	5.39	-3.73
64	S	S	26.03	11.04	14.98
65	I	I	16.43	41.45	-25.02
66	Q	Q	6.58	7.74	-1.16
67	G	G	2.57	0.95	1.61
68	Q	-	18.51	-	-
69	D	-	8.26	-	-
70	-	X	-	-20.49	-
71	-	X	-	-21.99	-
72	-	X	-	0.01	-
73	-	X	-	-1.89	-
74	-	A	-	-0.01	-
75	-	E	-	15.21	-
76	-	A	-	2.15	-
77	L	L	28.88	0.22	28.65
78	S	-	2.71	-	-
79	D	-	5.97	-	-
80	D	-	3.29	-	-
81	-	F	-	1.16	-
82	K	K	10.3	8.96	1.34
83	-	E	-	-2.08	-
84	I	I	6.82	-3.22	10.04
85	G	-	-0.41	-	-
86	L	-	9.25	-	-
87	K	-	13.62	-	-
88	V	-	27.44	-	-
89	L	-	19.07	-	-
90	Y	-	5.08	-	-
91	K	-	7.71	-	-
92	L	-	7.55	-	-
93	M	-	7.72	-	-
94	D	D	-0.99	-5.87	4.87
95	V	V	8.49	4.89	3.61
96	D	-	6.84	-	-
97	-	N	-	0.57	-
98	G	G	0.96	-0.76	1.72
99	D	D	7.58	-2.93	10.5
100	G	G	-1.94	-3.03	1.09
101	K	-	8.62	-	-
102	L	-	2.73	-	-
103	T	-	0.55	-	-
104	K	-	8.13	-	-
105	-	A	-	-2.29	-
106	-	V	-	2.48	-
107	-	S	-	-0.58	-
108	-	Y	-	1.5	-
109	E	E	10.55	4.5	6.05
110	E	E	-4.99	-6.96	1.97
111	V	V	6.99	2.45	4.54
112	T	-	2.58	-	-
113	S	-	8.19	-	-
114	F	-	4.24	-	-
115	-	K	-	9.2	-
116	-	A	-	-1.07	-
117	F	F	3.64	-2.23	5.87
118	-	V	-	3.69	-
119	-	S	-	0.52	-
120	K	K	9.17	-0.28	9.45
121	K	K	9.8	2.88	6.92
122	H	-	10.46	-	-
123	G	-	-0.65	-	-
124	-	R	-	6.21	-
125	-	A	-	-0.53	-
126	I	I	28.5	-0.93	29.43
127	E	-	3.13	-	-
128	K	K	5.71	14.15	-8.43
129	V	-	8.58	-	-
130	A	-	-0.71	-	-
131	-	N	-	1.88	-
132	E	E	9.72	2.26	7.46
133	Q	Q	4.79	-1.2	5.99
134	V	-	0.3	-	-
135	M	-	11.18	-	-
136	-	L	-	-0.22	-
137	-	L	-	25.63	-
138	-	Q	-	4.13	-
139	-	L	-	1.93	-
140	-	I	-	0.32	-
141	-	F	-	-1.45	-
142	K	K	15.38	1.38	14.0
143	A	-	-0.5	-	-
144	-	S	-	7.19	-
145	-	I	-	-0.99	-
146	D	D	1.86	-7.24	9.1
147	A	A	1.94	2.19	-0.25
148	N	-	3.99	-	-
149	G	-	0.14	-	-
150	D	D	4.98	0.37	4.61
151	G	G	-0.56	0.69	-1.26
152	Y	-	7.36	-	-
153	I	-	4.93	-	-
154	T	-	0.04	-	-
155	L	-	15.64	-	-
156	-	N	-	3.31	-
157	-	G	-	-3.6	-
158	E	E	11.41	-0.45	11.86
159	-	I	-	34.08	-
160	-	D	-	2.15	-
161	-	Q	-	7.61	-
162	-	N	-	2.88	-
163	E	E	-5.31	-6.55	1.24
164	F	F	3.9	18.7	-14.8
165	L	-	3.94	-	-
166	E	-	9.2	-	-
167	-	A	-	0.92	-
168	-	K	-	5.77	-
169	F	F	7.55	-1.33	8.89
170	-	Y	-	5.76	-
171	-	G	-	3.67	-
172	S	S	7.25	3.47	3.78
173	L	-	8.51	-	-
174	-	I	-	9.13	-
175	X	X	-17.52	-20.94	3.42
176	X	X	-16.86	-23.78	6.92
177	X	X	-15.08	2.51	-17.6
178	X	X	-17.8	-1.1	-16.71
179	-	X	-	-0.49	-

Analysis of pair 1jfkA_2nxqB

Figure 1: Two structures (Fold1 & Fold2)

Figure 2: Two structures aligned

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

Aligned per-residue ΔΔG