Analysis of 1fzpD

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	-	-	0.63	0.91	0.65	0.94	0.02	0.02	0.4	-	-	-
000	-	-	0.27	0.37	0.28	0.37	0.0	0.0	0.0	007; 007; 004; 004; 001; 001; 005; 005; 010; 010	0.49; 0.49; 0.48; 0.48; 0.45; 0.45; 0.44; 0.44; 0.34; 0.34	0.65; 0.65; 0.65; 0.65; 0.61; 0.61; 0.66; 0.66; 0.50; 0.50
001	-	-	0.28	0.38	0.27	0.38	0.0	0.0	0.0	004; 004; 010; 010; 003; 003; 007; 007; 001; 001	0.57; 0.57; 0.53; 0.53; 0.52; 0.52; 0.49; 0.49; 0.46; 0.46	0.77; 0.77; 0.77; 0.77; 0.70; 0.70; 0.75; 0.75; 0.62; 0.62
002	-	-	0.63	0.9	0.65	0.94	0.0	0.0	0.16	009; 009; 010; 010; 003; 003; 005; 005; 001; 001	0.62; 0.62; 0.58; 0.58; 0.54; 0.54; 0.53; 0.53; 0.43; 0.43	0.85; 0.85; 0.83; 0.83; 0.74; 0.74; 0.78; 0.78; 0.52; 0.53
003	-	-	0.28	0.36	0.28	0.38	0.0	0.03	0.04	005; 005; 004; 004; 007; 007; 006; 006; 009; 009	0.41; 0.41; 0.38; 0.38; 0.37; 0.37; 0.31; 0.31; 0.31; 0.31	0.50; 0.51; 0.49; 0.49; 0.48; 0.48; 0.55; 0.55; 0.38; 0.38
004	-	-	0.22	0.24	0.22	0.29	0.0	0.0	0.04	009; 009; 006; 006; 010; 003; 003; 002; 002; 007	0.52; 0.52; 0.24; 0.24; 0.22; 0.22; 0.22; 0.22; 0.22; 0.22	0.69; 0.69; 0.28; 0.28; 0.28; 0.26; 0.26; 0.28; 0.28; 0.26
005	-	-	0.28	0.34	0.31	0.29	0.0	0.0	0.0	001; 001; 009; 009; 003; 003; 006; 010; 006; 010	0.31; 0.31; 0.27; 0.27; 0.25; 0.25; 0.24; 0.24; 0.24; 0.24	0.50; 0.50; 0.54; 0.54; 0.26; 0.26; 0.27; 0.28; 0.27; 0.28
006	-	-	0.25	0.31	0.26	0.3	0.0	0.0	0.0	005; 005; 008; 008; 007; 007; 003; 001; 006; 003	0.43; 0.43; 0.30; 0.30; 0.29; 0.29; 0.25; 0.25; 0.25; 0.25	0.53; 0.53; 0.28; 0.28; 0.30; 0.30; 0.43; 0.30; 0.36; 0.42
007	-	-	0.2	0.24	0.28	0.21	0.0	0.0	0.0	002; 009; 002; 010; 010; 009; 003; 003; 008; 004	0.26; 0.25; 0.25; 0.25; 0.25; 0.25; 0.24; 0.24; 0.22; 0.22	0.25; 0.31; 0.25; 0.29; 0.29; 0.31; 0.29; 0.29; 0.29; 0.26

Aligned per-residue ΔΔG

aln_pos	aa1	aa2	E1	E2	dEdiff
1	X	-	53.63	-	-
2	X	-	47.73	-	-
3	X	-	143.86	-	-
4	X	-	16.68	-	-
5	X	-	45.71	-	-
6	X	-	56.75	-	-
7	X	-	31.02	-	-
8	X	-	34.86	-	-
9	X	-	43.42	-	-
10	X	-	121.94	-	-
11	X	-	11.39	-	-
12	X	-	77.67	-	-
13	X	-	59.69	-	-
14	X	-	37.46	-	-
15	-	G	-	0.8	-
16	-	S	-	4.89	-
17	-	H	-	22.55	-
18	-	M	-	8.91	-
19	A	A	1.6	0.51	1.08
20	I	I	289.25	-1.98	291.23
21	T	T	74.5	-0.19	74.69
22	K	K	76.85	4.04	72.81
23	I	I	261.4	-0.42	261.83
24	N	N	4.32	-0.42	4.75
25	D	D	111.12	10.41	100.71
26	C	C	21.06	1.49	19.57
27	F	F	11.98	4.71	7.27
28	E	E	29.23	2.29	26.94
29	L	L	20.75	11.39	9.36
30	L	L	133.26	-2.39	135.65
31	S	S	5.04	-0.09	5.13
32	M	M	52.21	-1.55	53.76
33	V	V	40.92	-2.12	43.05
34	T	T	13.35	-0.81	14.15
35	Y	Y	21.48	-1.83	23.32
36	A	A	-0.55	-2.22	1.68
37	D	D	17.57	-2.47	20.03
38	K	K	33.96	12.21	21.74
39	L	L	28.66	-4.66	33.32
40	K	K	29.16	0.39	28.77
41	S	S	13.59	-0.92	14.51
42	L	L	7.74	2.84	4.89
43	I	I	13.84	1.59	12.25
44	K	K	35.32	8.0	27.32
45	K	K	8.03	1.14	6.89
46	E	E	15.79	7.68	8.11
47	F	F	42.92	1.86	41.06
48	S	S	16.09	9.01	7.08
49	I	I	35.01	6.62	28.4
50	S	S	7.04	-0.45	7.49
51	F	F	20.46	6.74	13.73
52	E	E	7.79	5.4	2.39
53	E	E	28.85	0.66	28.19
54	F	F	39.89	6.01	33.88
55	A	A	3.11	-4.85	7.96
56	V	V	17.9	-4.83	22.73
57	L	L	41.55	-3.29	44.85
58	T	T	3.88	15.19	-11.32
59	Y	Y	5.09	0.35	4.73
60	I	I	21.41	-2.21	23.61
61	S	S	16.34	1.36	14.98
62	E	E	21.78	16.69	5.08
63	N	N	9.78	3.69	6.09
64	K	K	23.7	13.56	10.15
65	E	E	20.42	13.72	6.7
66	K	K	19.1	-0.15	19.25
67	E	E	16.4	18.75	-2.35
68	Y	Y	6.31	-0.46	6.77
69	Y	Y	13.04	7.98	5.06
70	L	L	12.17	3.47	8.7
71	K	K	7.69	5.52	2.17
72	D	D	12.76	5.91	6.85
73	I	I	23.8	0.12	23.68
74	-	I	-	9.64	-
75	-	N	-	5.1	-
76	-	H	-	1.72	-
77	-	L	-	-0.11	-
78	-	N	-	0.78	-
79	-	Y	-	5.63	-
80	-	K	-	14.39	-
81	-	Q	-	17.82	-
82	-	P	-	7.28	-
83	-	Q	-	2.67	-
84	V	V	12.38	-1.5	13.88
85	V	V	13.6	0.06	13.54
86	K	K	15.71	0.18	15.53
87	A	A	2.0	-2.69	4.69
88	V	V	7.96	-0.39	8.34
89	K	K	4.63	1.15	3.48
90	I	I	18.99	4.83	14.16
91	L	L	8.97	-5.47	14.44
92	S	S	0.28	1.04	-0.76
93	Q	Q	19.51	8.66	10.85
94	E	E	48.37	2.75	45.62
95	D	D	5.51	1.9	3.61
96	Y	Y	4.01	0.51	3.49
97	F	F	55.25	0.33	54.92
98	D	D	5.48	10.14	-4.66
99	K	K	4.15	21.71	-17.56
100	K	K	19.42	8.56	10.86
101	R	R	15.32	23.7	-8.38
102	N	N	4.86	13.61	-8.75
103	E	E	34.25	5.83	28.41
104	H	H	53.46	13.55	39.9
105	D	D	7.04	13.48	-6.44
106	E	E	6.72	14.77	-8.05
107	R	R	78.3	9.53	68.77
108	T	T	10.04	11.29	-1.25
109	V	V	55.41	18.5	36.92
110	L	L	15.83	8.52	7.31
111	I	I	14.68	-2.08	16.76
112	L	L	64.27	-0.16	64.43
113	V	V	29.9	9.33	20.57
114	N	N	10.75	17.75	-7.0
115	A	A	6.97	9.63	-2.66
116	Q	Q	19.49	16.53	2.96
117	Q	Q	43.66	5.22	38.44
118	R	R	50.0	21.3	28.7
119	K	K	88.86	13.18	75.68
120	K	K	14.93	-0.22	15.14
121	I	I	27.12	-2.68	29.8
122	E	E	40.86	1.98	38.87
123	S	S	27.78	1.68	26.1
124	L	L	33.05	1.42	31.62
125	L	L	19.04	-4.03	23.08
126	S	S	13.5	5.26	8.24
127	R	R	30.78	0.64	30.14
128	V	V	21.34	-2.51	23.86
129	-	N	-	3.6	-
130	-	K	-	0.18	-
131	-	R	-	17.66	-
132	-	I	-	-3.19	-
133	-	T	-	1.16	-
134	-	E	-	12.03	-
135	-	A	-	-2.52	-
136	-	N	-	-1.54	-
137	-	N	-	2.68	-
138	-	E	-	7.0	-
139	-	I	-	7.66	-
140	-	E	-	9.02	-
141	-	L	-	23.33	-
142	X	X	16.52	-6.73	23.25
143	-	G	-	0.8	-
144	-	S	-	4.76	-
145	-	H	-	26.59	-
146	-	M	-	8.94	-
147	A	A	2.66	0.62	2.04
148	I	I	32.05	-2.02	34.07
149	T	T	27.72	-0.14	27.86
150	K	K	9.42	3.85	5.57
151	I	I	19.13	-1.35	20.48
152	N	N	17.21	0.26	16.95
153	D	D	16.44	6.05	10.39
154	C	C	12.08	1.35	10.74
155	F	F	18.07	4.89	13.18
156	E	E	29.87	-0.85	30.72
157	L	L	33.46	10.95	22.51
158	L	L	18.28	-2.65	20.92
159	S	S	8.45	-0.36	8.81
160	M	M	9.47	-1.22	10.7
161	V	V	19.87	-2.31	22.18
162	T	T	13.77	-0.68	14.44
163	Y	Y	13.55	-1.74	15.29
164	A	A	19.48	-1.99	21.48
165	D	D	6.44	-2.56	9.0
166	K	K	8.47	-0.55	9.02
167	L	L	23.48	-4.08	27.57
168	K	K	31.8	0.45	31.35
169	S	S	2.71	-1.03	3.73
170	L	L	40.69	3.35	37.34
171	I	I	11.33	1.41	9.92
172	K	K	32.06	7.94	24.12
173	K	K	24.17	1.04	23.12
174	E	E	8.29	6.01	2.28
175	F	F	26.01	1.9	24.12
176	S	S	12.77	9.12	3.65
177	I	I	31.55	6.4	25.15
178	S	S	5.13	-0.35	5.48
179	F	F	24.29	6.9	17.4
180	E	E	41.83	5.53	36.3
181	E	E	15.82	0.53	15.29
182	F	F	18.56	4.66	13.89
183	A	A	15.86	-4.85	20.71
184	V	V	6.99	-4.81	11.8
185	L	L	47.41	-3.09	50.5
186	T	T	25.56	15.13	10.43
187	Y	Y	10.67	0.43	10.24
188	I	I	10.33	-2.43	12.76
189	S	S	9.31	1.41	7.9
190	E	E	22.73	16.04	6.7
191	N	N	25.98	3.7	22.28
192	K	K	40.46	13.08	27.39
193	E	E	21.88	14.39	7.49
194	K	K	31.16	2.76	28.4
195	E	E	21.01	19.16	1.85
196	Y	Y	13.56	-3.09	16.65
197	Y	Y	9.58	7.88	1.7
198	L	L	13.35	6.84	6.51
199	K	K	18.38	9.23	9.15
200	D	D	6.64	6.15	0.5
201	I	I	38.86	-1.18	40.05
202	-	I	-	9.63	-
203	-	N	-	5.16	-
204	-	H	-	1.7	-
205	-	L	-	-0.17	-
206	-	N	-	0.68	-
207	-	Y	-	5.63	-
208	-	K	-	14.37	-
209	-	Q	-	17.84	-
210	-	P	-	7.39	-
211	-	Q	-	2.64	-
212	V	V	23.72	-1.39	25.11
213	V	V	5.71	-0.57	6.29
214	K	K	11.45	0.18	11.27
215	A	A	2.12	-2.65	4.77
216	V	V	3.97	-0.1	4.07
217	K	K	8.8	1.36	7.44
218	I	I	9.08	4.91	4.16
219	L	L	9.05	-5.52	14.57
220	S	S	3.6	0.99	2.61
221	Q	Q	23.96	8.36	15.6
222	E	E	24.23	2.87	21.36
223	D	D	6.87	1.97	4.9
224	Y	Y	23.68	1.59	22.1
225	F	F	7.65	0.28	7.38
226	D	D	16.69	12.32	4.37
227	K	K	7.08	34.83	-27.75
228	K	K	22.26	30.6	-8.34
229	R	R	14.38	19.77	-5.39
230	N	N	4.54	12.69	-8.15
231	E	E	5.35	9.34	-3.99
232	H	H	43.62	13.16	30.46
233	D	D	8.56	19.5	-10.94
234	E	E	12.95	15.22	-2.26
235	R	R	14.22	20.87	-6.65
236	T	T	6.35	5.78	0.57
237	V	V	18.53	17.08	1.45
238	L	L	18.35	12.21	6.14
239	I	I	22.59	6.6	15.99
240	L	L	45.01	3.5	41.51
241	V	V	29.18	-1.79	30.97
242	N	N	12.28	28.75	-16.47
243	A	A	27.66	3.22	24.44
244	Q	Q	8.99	16.47	-7.48
245	Q	Q	7.87	12.1	-4.23
246	R	R	54.71	6.15	48.55
247	K	K	22.46	-0.55	23.01
248	K	K	9.38	3.48	5.9
249	I	I	21.72	-2.37	24.09
250	E	E	18.85	0.85	18.0
251	S	S	18.62	0.81	17.81
252	L	L	31.47	2.55	28.92
253	L	L	54.1	-4.3	58.4
254	S	S	20.67	2.52	18.15
255	R	R	49.47	2.05	47.42
256	V	V	43.6	-3.57	47.16
257	N	N	5.09	3.33	1.76
258	K	K	59.28	1.19	58.09
259	R	R	40.47	0.93	39.54
260	I	I	14.63	-3.73	18.36
261	T	T	18.19	-0.33	18.52
262	-	E	-	1.52	-
263	-	A	-	0.13	-
264	-	N	-	1.76	-
265	-	N	-	1.05	-
266	-	E	-	6.02	-
267	-	I	-	27.59	-
268	-	E	-	18.83	-
269	-	L	-	5.12	-
270	X	X	-9.33	-8.36	-0.97

Analysis of pair 1fzpD_2frhA

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