Analysis of 4aalA

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	-	-	0.88	0.99	0.88	1.0	0.02	0.1	0.02	-	-	-
000	-	-	0.88	0.99	0.88	1.0	0.02	0.09	0.02	001; 001; 008; 007; 007; 008; 006; 006; 005; 005	0.86; 0.86; 0.76; 0.75; 0.75; 0.75; 0.73; 0.73; 0.70; 0.70	0.95; 0.95; 0.85; 0.83; 0.83; 0.85; 0.82; 0.82; 0.80; 0.80
001	-	-	0.78	0.87	0.78	0.87	0.0	0.02	0.01	001; 006; 001; 006; 002; 008; 002; 008; 005; 005	0.78; 0.78; 0.78; 0.78; 0.75; 0.75; 0.75; 0.75; 0.75; 0.75	0.86; 0.86; 0.86; 0.86; 0.83; 0.82; 0.83; 0.82; 0.83; 0.83
002	-	-	0.82	0.9	0.82	0.91	0.0	0.1	0.03	001; 001; 005; 004; 004; 005; 006; 006; 002; 002	0.82; 0.82; 0.78; 0.78; 0.78; 0.77; 0.76; 0.76; 0.67; 0.67	0.91; 0.91; 0.86; 0.85; 0.83; 0.86; 0.81; 0.81; 0.76; 0.76
003	-	-	0.75	0.83	0.74	0.83	0.0	0.01	0.02	001; 001; 009; 002; 002; 009; 007; 007; 004; 004	0.75; 0.75; 0.74; 0.74; 0.74; 0.74; 0.73; 0.73; 0.72; 0.72	0.84; 0.84; 0.83; 0.83; 0.83; 0.83; 0.82; 0.82; 0.81; 0.81
004	-	-	0.77	0.87	0.77	0.87	0.01	0.03	0.01	001; 001; 004; 002; 004; 002; 005; 005; 007; 007	0.77; 0.77; 0.76; 0.76; 0.76; 0.76; 0.72; 0.72; 0.72; 0.72	0.87; 0.87; 0.85; 0.87; 0.85; 0.87; 0.81; 0.81; 0.73; 0.73
005	-	-	0.78	0.85	0.78	0.85	0.01	0.01	0.02	009; 009; 005; 005; 001; 008; 008; 001; 003; 003	0.80; 0.80; 0.78; 0.78; 0.77; 0.77; 0.77; 0.77; 0.76; 0.76	0.89; 0.89; 0.85; 0.85; 0.86; 0.85; 0.85; 0.86; 0.85; 0.85
006	-	-	0.79	0.89	0.78	0.89	0.01	0.02	0.03	001; 001; 004; 003; 004; 007; 003; 007; 008; 006	0.78; 0.78; 0.76; 0.76; 0.76; 0.76; 0.76; 0.75; 0.74; 0.74	0.87; 0.87; 0.85; 0.84; 0.85; 0.84; 0.84; 0.83; 0.81; 0.82
007	-	-	0.84	0.94	0.85	0.95	0.0	0.07	0.02	001; 001; 006; 006; 008; 008; 002; 002; 003; 003	0.84; 0.84; 0.83; 0.83; 0.82; 0.82; 0.78; 0.78; 0.73; 0.73	0.95; 0.95; 0.91; 0.91; 0.92; 0.92; 0.84; 0.84; 0.82; 0.82
008	-	-	0.69	0.77	0.52	0.56	0.0	0.01	0.02	002; 003; 009; 008; 008; 009; 002; 003; 001; 001	0.74; 0.74; 0.74; 0.74; 0.74; 0.74; 0.74; 0.74; 0.73; 0.73	0.83; 0.83; 0.82; 0.79; 0.79; 0.82; 0.83; 0.83; 0.81; 0.81
009	-	-	0.76	0.83	0.76	0.83	0.0	0.08	0.01	009; 008; 009; 008; 001; 001; 004; 004; 005; 005	0.79; 0.79; 0.79; 0.79; 0.78; 0.78; 0.75; 0.75; 0.71; 0.71	0.88; 0.88; 0.88; 0.88; 0.87; 0.87; 0.83; 0.83; 0.76; 0.76
010	-	-	0.73	0.81	0.74	0.82	0.0	0.0	0.02	005; 007; 007; 005; 004; 004; 001; 001; 006; 006	0.78; 0.78; 0.78; 0.78; 0.77; 0.77; 0.75; 0.75; 0.73; 0.73	0.85; 0.87; 0.87; 0.85; 0.86; 0.86; 0.83; 0.83; 0.81; 0.81
011	-	-	0.87	0.98	0.87	0.98	0.0	0.05	0.01	002; 001; 002; 001; 006; 006; 003; 003; 004; 004	0.86; 0.86; 0.86; 0.85; 0.85; 0.85; 0.73; 0.73; 0.71; 0.71	0.97; 0.95; 0.97; 0.95; 0.92; 0.92; 0.75; 0.75; 0.78; 0.78
012	-	-	0.81	0.9	0.81	0.9	0.0	0.01	0.02	002; 002; 001; 001; 009; 009; 003; 003; 005; 005	0.83; 0.83; 0.81; 0.81; 0.78; 0.78; 0.73; 0.73; 0.54; 0.54	0.91; 0.91; 0.90; 0.90; 0.89; 0.89; 0.81; 0.81; 0.58; 0.58
013	-	-	0.85	0.95	0.85	0.96	0.0	0.06	0.02	001; 001; 003; 003; 004; 004; 005; 005; 002; 002	0.85; 0.85; 0.84; 0.84; 0.77; 0.76; 0.76; 0.75; 0.71; 0.71	0.95; 0.95; 0.94; 0.94; 0.79; 0.79; 0.85; 0.85; 0.74; 0.74
014	-	-	0.76	0.82	0.77	0.84	0.0	0.03	0.0	010; 010; 004; 004; 001; 005; 001; 005; 007; 006	0.78; 0.78; 0.77; 0.77; 0.76; 0.76; 0.76; 0.76; 0.74; 0.74	0.87; 0.87; 0.84; 0.84; 0.84; 0.84; 0.84; 0.84; 0.82; 0.83
015	-	-	0.75	0.84	0.76	0.84	0.0	0.01	0.03	006; 006; 008; 008; 009; 007; 007; 001; 001; 009	0.80; 0.80; 0.75; 0.75; 0.74; 0.74; 0.74; 0.74; 0.74; 0.74	0.88; 0.88; 0.84; 0.84; 0.82; 0.83; 0.83; 0.83; 0.83; 0.82
016	-	-	0.82	0.92	0.82	0.93	0.0	0.04	0.02	001; 001; 010; 010; 006; 006; 005; 005; 007; 007	0.84; 0.84; 0.78; 0.78; 0.76; 0.76; 0.74; 0.74; 0.73; 0.73	0.95; 0.95; 0.89; 0.89; 0.84; 0.84; 0.82; 0.82; 0.81; 0.81
017	-	-	0.78	0.86	0.78	0.87	0.0	0.02	0.03	001; 002; 002; 001; 003; 003; 004; 004; 008; 008	0.80; 0.80; 0.80; 0.80; 0.76; 0.76; 0.75; 0.75; 0.54; 0.54	0.89; 0.89; 0.89; 0.89; 0.85; 0.85; 0.83; 0.83; 0.60; 0.60
018	-	-	0.77	0.84	0.78	0.85	0.01	0.09	0.02	001; 001; 007; 007; 006; 006; 002; 008; 002; 008	0.83; 0.83; 0.79; 0.79; 0.77; 0.77; 0.75; 0.75; 0.75; 0.75	0.92; 0.92; 0.87; 0.87; 0.85; 0.85; 0.82; 0.83; 0.82; 0.83

Aligned per-residue ΔΔG

aln_pos	aa1	aa2	E1	E2	dEdiff
1	E	-	2.02	-	-
2	D	D	-3.31	7.13	-10.44
3	V	V	3.06	-0.71	3.77
4	M	M	17.89	-2.45	20.33
5	K	K	12.49	-0.21	12.7
6	R	R	-1.38	-0.28	-1.1
7	A	A	-4.63	-4.58	-0.05
8	Q	Q	10.93	-1.75	12.68
9	G	G	1.16	0.54	0.61
10	L	L	-1.7	-0.06	-1.63
11	F	F	-2.12	-3.76	1.64
12	K	K	4.67	3.91	0.76
13	P	P	0.1	-5.36	5.46
14	I	I	-0.91	-2.53	1.61
15	P	P	-3.79	-3.39	-0.4
16	A	A	-1.07	0.48	-1.55
17	K	K	5.07	10.66	-5.59
18	P	P	-0.61	1.63	-2.24
19	P	P	-3.93	-5.22	1.29
20	V	V	2.13	0.93	1.2
21	M	M	0.01	0.87	-0.86
22	K	K	4.45	0.61	3.84
23	D	D	0.38	-0.94	1.32
24	N	N	-1.6	-2.74	1.14
25	P	P	-0.73	0.65	-1.37
26	A	A	0.05	-0.15	0.21
27	S	S	-0.11	-0.22	0.11
28	P	P	-0.57	0.86	-1.44
29	S	S	0.18	-0.29	0.47
30	R	R	-3.53	-3.0	-0.53
31	V	V	-2.34	-3.25	0.92
32	E	E	-0.84	-1.22	0.38
33	L	L	-5.41	-6.21	0.79
34	G	G	-1.76	-1.79	0.03
35	R	R	-0.36	-0.44	0.08
36	M	M	2.38	6.76	-4.38
37	L	L	-6.06	-5.46	-0.6
38	F	F	-6.08	-5.91	-0.17
39	F	F	-3.89	-3.98	0.1
40	D	D	-4.71	-6.72	2.01
41	P	P	-0.52	-2.72	2.2
42	R	R	-4.95	-4.95	0.0
43	L	L	-0.55	-2.54	1.99
44	S	S	0.59	-1.8	2.38
45	A	A	-0.6	-3.82	3.22
46	S	S	-0.67	-0.99	0.32
47	H	H	1.9	-1.37	3.27
48	L	L	5.9	5.9	0.0
49	I	I	0.13	-2.42	2.55
50	S	S	-2.36	-3.1	0.74
51	C	C	0.81	0.12	0.7
52	N	N	-0.54	-0.93	0.4
53	T	T	0.34	-0.0	0.34
54	C	C	2.14	2.14	-0.0
55	H	H	-0.17	-3.09	2.92
56	N	N	-1.87	-3.07	1.2
57	V	V	-0.98	-0.02	-0.96
58	G	G	0.68	0.33	0.35
59	L	L	1.05	-0.08	1.13
60	G	G	-0.78	-1.52	0.73
61	G	G	-1.53	-2.39	0.86
62	T	T	-0.77	0.22	-0.99
63	D	D	2.98	2.23	0.75
64	I	I	9.56	8.25	1.31
65	L	L	6.61	4.78	1.83
66	E	E	-1.26	-0.96	-0.29
67	T	T	0.29	0.65	-0.36
68	S	S	-1.52	-1.58	0.06
69	I	I	2.13	-3.44	5.56
70	G	G	-0.85	-3.46	2.6
71	H	H	-1.13	-0.88	-0.25
72	G	G	1.3	-0.71	2.01
73	W	W	0.68	6.08	-5.4
74	Q	Q	-2.06	-0.02	-2.04
75	K	K	4.08	1.02	3.06
76	G	G	0.12	1.0	-0.89
77	P	P	-2.91	-0.52	-2.39
78	R	R	-8.32	-3.18	-5.14
79	N	N	-3.63	-3.88	0.26
80	S	S	1.23	4.9	-3.67
81	P	P	3.81	-0.13	3.94
82	T	T	2.37	1.86	0.5
83	V	V	-0.56	-1.53	0.97
84	L	L	-1.29	-3.2	1.91
85	N	N	-4.74	-4.57	-0.16
86	A	A	-1.5	-2.7	1.2
87	V	V	0.35	-1.51	1.86
88	Y	Y	-4.48	-3.11	-1.37
89	N	N	-0.93	-0.96	0.02
90	I	I	-0.8	1.77	-2.58
91	A	A	-1.57	-1.66	0.09
92	Q	Q	2.0	-3.16	5.16
93	F	F	-0.55	3.66	-4.21
94	W	W	-1.17	1.5	-2.68
95	D	D	-0.83	-2.83	2.0
96	G	G	-1.03	-1.46	0.42
97	R	R	-1.72	-0.07	-1.65
98	A	A	-0.76	-1.34	0.58
99	E	E	-0.53	1.68	-2.21
100	D	D	1.52	-1.22	2.74
101	L	L	-3.75	-3.25	-0.5
102	A	A	-0.33	-1.88	1.54
103	A	A	0.43	-2.26	2.69
104	Q	Q	3.35	1.41	1.95
105	A	A	0.73	-2.64	3.36
106	K	K	15.24	-4.56	19.79
107	G	G	8.82	5.72	3.1
108	P	P	2.85	2.6	0.25
109	V	V	0.14	-2.59	2.73
110	Q	Q	-1.43	0.06	-1.49
111	A	A	1.23	-0.77	1.99
112	S	S	-2.84	0.8	-3.63
113	V	V	3.92	0.73	3.19
114	E	E	2.13	1.53	0.61
115	M	M	-1.96	5.64	-7.59
116	N	N	1.37	-1.68	3.04
117	N	N	2.31	-0.94	3.25
118	K	K	2.1	2.26	-0.16
119	P	P	-1.47	-0.21	-1.26
120	E	E	0.1	0.5	-0.4
121	N	N	1.33	4.92	-3.59
122	L	L	-0.65	-4.43	3.79
123	V	V	-2.55	-2.33	-0.23
124	A	A	-1.05	-1.2	0.14
125	T	T	-0.97	-0.36	-0.61
126	L	L	-5.73	-6.05	0.32
127	K	K	-2.28	-4.24	1.96
128	S	S	-1.19	-0.61	-0.58
129	I	I	-1.87	-1.81	-0.06
130	P	P	-0.94	-1.08	0.14
131	G	G	0.37	0.47	-0.1
132	Y	Y	1.37	0.45	0.92
133	P	P	7.25	8.03	-0.78
134	P	P	4.63	6.49	-1.86
135	L	L	-0.88	0.34	-1.22
136	F	F	-6.47	-6.33	-0.15
137	R	R	-2.27	1.27	-3.55
138	K	K	10.41	0.4	10.01
139	A	A	-4.88	-4.62	-0.25
140	F	F	-3.58	-3.91	0.32
141	P	P	-1.53	-1.43	-0.1
142	G	G	-0.95	1.26	-2.21
143	Q	Q	1.32	0.7	0.63
144	G	G	1.7	1.54	0.16
145	D	D	1.95	0.88	1.06
146	P	P	-4.07	-4.41	0.34
147	V	V	-1.7	-2.16	0.47
148	T	T	-0.86	-1.21	0.35
149	F	F	-1.91	-0.47	-1.44
150	D	D	-1.18	-2.43	1.25
151	N	N	-4.0	-3.4	-0.6
152	V	V	-3.31	-3.36	0.05
153	A	A	-2.28	-3.11	0.84
154	K	K	-1.52	-1.0	-0.52
155	A	A	-3.07	-3.71	0.64
156	I	I	-1.3	-4.05	2.74
157	E	E	-2.41	-2.53	0.12
158	V	V	-1.89	-2.04	0.15
159	F	F	-3.95	-4.37	0.42
160	E	E	-2.65	-3.23	0.58
161	A	A	-3.62	-3.35	-0.27
162	T	T	-1.55	-1.03	-0.52
163	L	L	-5.15	-5.22	0.07
164	V	V	1.02	-0.31	1.33
165	T	T	1.28	-2.67	3.95
166	P	P	-4.66	1.86	-6.52
167	D	D	1.1	0.07	1.04
168	A	A	0.03	-1.79	1.83
169	P	P	5.8	-3.89	9.69
170	F	F	-4.47	-4.39	-0.08
171	D	D	-4.21	-4.48	0.27
172	K	K	0.53	-1.02	1.55
173	Y	Y	-4.57	-4.31	-0.26
174	L	L	-5.84	-6.15	0.31
175	K	K	1.32	0.87	0.45
176	G	G	-0.49	-2.04	1.55
177	N	N	-2.63	-2.2	-0.44
178	R	R	3.85	3.12	0.74
179	K	K	-0.07	3.25	-3.32
180	A	A	-1.63	-1.92	0.29
181	I	I	-2.02	-2.9	0.88
182	S	S	-1.51	-1.93	0.43
183	S	S	13.24	0.07	13.17
184	T	T	0.56	-0.17	0.73
185	A	A	-3.55	-4.06	0.51
186	E	E	-3.32	-2.31	-1.01
187	Q	Q	2.5	-1.02	3.52
188	G	G	-1.79	-1.86	0.08
189	L	L	-3.08	-5.14	2.07
190	A	A	-1.69	-1.59	-0.09
191	L	L	0.82	-2.71	3.53
192	F	F	-5.69	-6.86	1.17
193	L	L	-4.03	-3.1	-0.92
194	D	D	-0.6	-2.05	1.45
195	K	K	-0.8	-2.01	1.21
196	G	G	-2.73	-2.53	-0.2
197	C	C	-0.48	0.17	-0.65
198	A	A	-1.95	-1.11	-0.83
199	A	A	-1.32	-0.97	-0.35
200	C	C	0.31	-0.25	0.57
201	H	H	-1.51	-3.2	1.69
202	S	S	0.55	0.93	-0.38
203	G	G	-2.56	-2.3	-0.26
204	V	V	-0.48	-0.34	-0.14
205	N	N	4.73	5.06	-0.33
206	M	M	-2.63	6.71	-9.34
207	G	-	-0.66	-	-
208	G	-	-3.96	-	-
209	T	-	-0.87	-	-
210	G	-	-2.98	-	-
211	Y	-	-5.36	-	-
212	F	-	-3.92	-	-
213	P	-	-2.01	-	-
214	F	-	-1.15	-	-
215	G	G	0.33	-0.57	0.9
216	V	-	-2.95	-	-
217	R	-	-1.42	-	-
218	E	-	1.54	-	-
219	D	-	22.28	-	-
220	P	-	64.34	-	-
221	G	G	28.12	0.23	27.89
222	P	-	39.2	-	-
223	V	-	23.65	-	-
224	D	-	-0.37	-	-
225	D	-	0.65	-	-
226	T	T	3.13	0.63	2.5
227	G	G	1.73	-2.25	3.97
228	R	-	6.92	-	-
229	Y	-	-3.53	-	-
230	K	-	-1.4	-	-
231	V	-	-1.64	-	-
232	T	-	0.19	-	-
233	S	-	-0.69	-	-
234	T	-	-0.26	-	-
235	A	-	0.71	-	-
236	A	-	1.79	-	-
237	D	-	1.6	-	-
238	K	-	8.05	-	-
239	Y	-	3.89	-	-
240	V	-	-1.52	-	-
241	F	-	-3.42	-	-
242	R	-	2.18	-	-
243	S	-	-0.24	-	-
244	P	-	-0.25	-	-
245	S	-	0.06	-	-
246	L	-	-3.65	-	-
247	R	-	-2.42	-	-
248	N	-	-4.52	-	-
249	V	-	-1.04	-	-
250	A	-	-0.57	-	-
251	I	-	-0.9	-	-
252	T	-	-5.03	-	-
253	M	-	5.92	-	-
254	P	-	-7.44	-	-
255	Y	Y	-4.23	-1.19	-3.04
256	F	-	1.05	-	-
257	H	-	2.51	-	-
258	S	-	-0.6	-	-
259	G	-	-0.76	-	-
260	K	-	4.07	-	-
261	V	-	-4.39	-	-
262	W	-	0.21	-	-
263	K	-	2.35	-	-
264	L	-	-4.53	-	-
265	K	-	-1.59	-	-
266	D	-	-1.75	-	-
267	A	-	-4.36	-	-
268	V	-	-5.13	-	-
269	K	-	-0.21	-	-
270	I	-	-3.89	-	-
271	M	-	0.75	-	-
272	G	-	1.34	-	-
273	S	-	1.25	-	-
274	A	-	1.65	-	-
275	Q	-	-0.02	-	-
276	L	-	-4.4	-	-
277	G	-	-1.2	-	-
278	I	-	-3.82	-	-
279	S	-	-0.42	-	-
280	I	-	1.03	-	-
281	T	-	-0.21	-	-
282	D	-	-2.15	-	-
283	A	-	1.41	-	-
284	D	-	-3.69	-	-
285	A	-	-3.54	-	-
286	D	-	-0.94	-	-
287	K	-	2.91	-	-
288	I	-	-5.47	-	-
289	V	-	-2.33	-	-
290	T	-	0.67	-	-
291	F	-	-2.46	-	-
292	L	-	-6.46	-	-
293	N	-	-2.9	-	-
294	T	-	-2.07	-	-
295	L	-	-4.71	-	-
296	T	-	-0.34	-	-
297	G	-	-1.21	-	-
298	A	-	0.7	-	-
299	Q	-	4.39	-	-
300	P	-	5.33	-	-
301	K	-	5.8	-	-
302	V	-	-2.17	-	-
303	M	-	1.72	-	-
304	H	-	1.43	-	-
305	P	-	-2.23	-	-
306	V	-	1.32	-	-
307	L	-	-3.23	-	-
308	P	-	-5.54	-	-
309	P	-	-2.29	-	-
310	N	-	1.81	-	-
311	S	-	1.45	-	-
312	D	-	2.74	-	-
313	D	-	2.49	-	-
314	T	-	3.41	-	-
315	P	-	2.08	-	-
316	R	-	4.81	-	-
317	P	-	-3.44	-	-
318	V	-	6.89	-	-
319	S	-	10.82	-	-
320	N	-	5.92	-	-
321	X	-	-18.96	-	-
322	X	-	-36.29	-	-
323	X	-	-14.65	-	-
324	X	-	-0.13	-	-
325	X	-	-4.1	-	-
326	X	-	-3.75	-	-
327	X	-	-2.42	-	-
328	X	-	-2.6	-	-
329	X	-	-2.03	-	-
330	X	-	-1.99	-	-
331	X	-	1.41	-	-
332	X	-	-2.23	-	-
333	X	-	-5.05	-	-
334	X	-	-2.21	-	-
335	X	-	-2.52	-	-
336	X	-	-1.72	-	-
337	X	-	0.49	-	-
338	X	-	-0.01	-	-
339	E	-	39.78	-	-
340	D	-	1.68	-	-
341	V	-	-1.28	-	-
342	M	-	8.31	-	-
343	K	-	12.35	-	-
344	R	-	-1.7	-	-
345	A	-	-4.05	-	-
346	Q	-	-1.56	-	-
347	G	-	1.06	-	-
348	L	-	-1.74	-	-
349	F	F	-3.82	-2.92	-0.9
350	K	-	5.01	-	-
351	P	-	-1.85	-	-
352	I	-	-2.67	-	-
353	P	-	-4.37	-	-
354	A	-	-1.05	-	-
355	K	-	4.95	-	-
356	P	-	1.13	-	-
357	P	-	-3.18	-	-
358	V	-	1.41	-	-
359	M	-	0.73	-	-
360	K	-	5.45	-	-
361	D	-	-0.12	-	-
362	N	-	-1.44	-	-
363	P	-	-2.51	-	-
364	A	-	-0.41	-	-
365	S	-	-0.14	-	-
366	P	P	2.9	-5.01	7.92
367	S	-	-1.32	-	-
368	R	-	-4.03	-	-
369	V	-	-2.48	-	-
370	E	-	-0.46	-	-
371	L	-	-5.66	-	-
372	G	-	-2.08	-	-
373	R	-	1.19	-	-
374	M	-	0.31	-	-
375	L	-	-5.65	-	-
376	F	-	-4.64	-	-
377	F	F	-3.02	-3.05	0.03
378	D	-	-6.84	-	-
379	P	-	-1.93	-	-
380	R	-	-4.69	-	-
381	L	-	-0.6	-	-
382	S	-	0.1	-	-
383	A	-	0.12	-	-
384	S	-	-0.32	-	-
385	H	-	-0.06	-	-
386	L	-	11.03	-	-
387	I	-	2.39	-	-
388	S	-	-2.41	-	-
389	C	-	1.01	-	-
390	N	-	4.99	-	-
391	T	-	0.49	-	-
392	C	-	122.99	-	-
393	H	-	-1.55	-	-
394	N	-	-2.03	-	-
395	V	-	2.63	-	-
396	G	-	0.32	-	-
397	L	-	0.9	-	-
398	G	-	-1.01	-	-
399	G	-	-2.41	-	-
400	T	-	0.77	-	-
401	D	-	1.7	-	-
402	I	-	8.47	-	-
403	L	-	11.27	-	-
404	E	-	-1.11	-	-
405	T	-	1.53	-	-
406	S	-	-1.99	-	-
407	I	-	-0.63	-	-
408	G	-	-1.14	-	-
409	H	-	0.08	-	-
410	G	-	1.33	-	-
411	W	-	0.38	-	-
412	Q	-	-1.87	-	-
413	K	-	10.93	-	-
414	G	G	1.42	-1.73	3.15
415	P	-	5.78	-	-
416	R	-	-6.71	-	-
417	N	-	-3.25	-	-
418	S	-	1.16	-	-
419	P	-	1.0	-	-
420	T	-	2.53	-	-
421	V	-	0.34	-	-
422	L	-	-1.25	-	-
423	N	-	-4.88	-	-
424	A	-	-1.73	-	-
425	V	V	0.94	0.98	-0.03
426	Y	-	-4.78	-	-
427	N	-	-1.76	-	-
428	I	-	-1.95	-	-
429	A	-	-0.93	-	-
430	Q	-	-0.13	-	-
431	F	-	-0.32	-	-
432	W	-	-1.61	-	-
433	D	-	-0.77	-	-
434	G	-	-1.9	-	-
435	R	R	-2.67	0.74	-3.41
436	A	-	-0.87	-	-
437	E	E	-0.52	0.96	-1.48
438	D	D	0.97	-0.13	1.11
439	L	-	-4.15	-	-
440	A	-	-0.21	-	-
441	A	-	1.36	-	-
442	Q	-	2.28	-	-
443	A	-	0.72	-	-
444	K	-	7.03	-	-
445	G	-	4.3	-	-
446	P	-	2.28	-	-
447	V	-	4.26	-	-
448	Q	-	-2.06	-	-
449	A	-	1.04	-	-
450	S	-	-3.23	-	-
451	V	-	1.43	-	-
452	E	-	3.43	-	-
453	M	-	-2.6	-	-
454	N	-	0.61	-	-
455	N	-	-0.17	-	-
456	K	-	12.65	-	-
457	P	-	-3.15	-	-
458	E	-	3.22	-	-
459	N	-	4.18	-	-
460	L	-	-3.9	-	-
461	V	-	-2.01	-	-
462	A	-	-0.72	-	-
463	T	-	-0.73	-	-
464	L	-	-5.23	-	-
465	K	-	-3.38	-	-
466	S	-	-1.21	-	-
467	I	-	0.11	-	-
468	P	-	0.9	-	-
469	G	-	0.46	-	-
470	Y	-	0.06	-	-
471	P	-	10.86	-	-
472	P	-	2.8	-	-
473	L	-	-1.42	-	-
474	F	-	-6.03	-	-
475	R	-	-4.02	-	-
476	K	-	3.19	-	-
477	A	-	-4.71	-	-
478	F	-	-5.35	-	-
479	P	P	-3.34	-3.42	0.08
480	G	-	-0.47	-	-
481	Q	-	-2.04	-	-
482	G	G	0.8	-0.42	1.22
483	D	-	4.96	-	-
484	P	-	-1.69	-	-
485	V	-	-2.29	-	-
486	T	-	-0.71	-	-
487	F	-	-0.67	-	-
488	D	-	-1.87	-	-
489	N	-	-3.57	-	-
490	V	-	-3.26	-	-
491	A	-	-1.7	-	-
492	K	-	-3.36	-	-
493	A	-	-3.2	-	-
494	I	-	-0.7	-	-
495	E	-	-1.95	-	-
496	V	-	-0.62	-	-
497	F	-	-4.02	-	-
498	E	-	-0.79	-	-
499	A	-	-2.83	-	-
500	T	-	-1.92	-	-
501	L	-	-5.58	-	-
502	V	-	-1.47	-	-
503	T	-	1.76	-	-
504	P	-	-2.07	-	-
505	D	-	-0.64	-	-
506	A	-	-1.52	-	-
507	P	P	-1.67	-1.38	-0.29
508	F	-	-4.11	-	-
509	D	-	-2.8	-	-
510	K	-	0.36	-	-
511	Y	-	-5.79	-	-
512	L	-	-6.3	-	-
513	K	-	1.23	-	-
514	G	-	-0.22	-	-
515	N	-	-2.77	-	-
516	R	-	38.43	-	-
517	K	-	5.02	-	-
518	A	-	-2.65	-	-
519	I	-	-2.63	-	-
520	S	-	-0.41	-	-
521	S	-	4.29	-	-
522	T	-	4.76	-	-
523	A	-	-2.14	-	-
524	E	-	-2.92	-	-
525	Q	-	1.18	-	-
526	G	-	-1.73	-	-
527	L	-	-3.84	-	-
528	A	-	-1.8	-	-
529	L	-	-1.69	-	-
530	F	-	-6.24	-	-
531	L	-	-3.78	-	-
532	D	-	-1.19	-	-
533	K	-	-2.14	-	-
534	G	-	-2.55	-	-
535	C	-	5.74	-	-
536	A	-	-1.55	-	-
537	A	-	-1.45	-	-
538	C	-	-1.06	-	-
539	H	-	-1.17	-	-
540	S	-	0.35	-	-
541	G	-	-2.75	-	-
542	V	V	-0.92	1.48	-2.4
543	N	-	2.25	-	-
544	M	-	-2.8	-	-
545	G	-	-0.44	-	-
546	G	-	-3.74	-	-
547	T	-	-1.8	-	-
548	G	-	-3.26	-	-
549	Y	-	-4.08	-	-
550	F	-	-4.14	-	-
551	P	-	-1.46	-	-
552	F	-	-1.75	-	-
553	G	-	-0.14	-	-
554	V	V	-1.96	-0.98	-0.98
555	R	R	-1.06	-1.2	0.14
556	E	-	1.72	-	-
557	D	-	-1.41	-	-
558	P	P	-0.44	14.77	-15.21
559	G	-	26.18	-	-
560	V	V	11.72	3.62	8.11
561	D	D	10.48	-0.42	10.9
562	D	D	0.79	-6.15	6.94
563	T	T	2.14	-0.3	2.44
564	G	G	2.63	-2.05	4.67
565	R	R	2.07	2.02	0.04
566	Y	Y	-3.36	-1.44	-1.91
567	K	K	-3.32	10.94	-14.26
568	V	V	-1.92	-0.43	-1.48
569	T	T	0.87	0.66	0.21
570	S	S	-1.18	1.74	-2.92
571	T	T	-0.14	0.87	-1.01
572	A	A	0.78	-0.22	1.0
573	A	A	0.96	0.84	0.11
574	D	D	0.18	-0.71	0.89
575	K	K	6.98	-1.39	8.38
576	Y	Y	4.3	-2.95	7.25
577	V	V	-0.9	-3.44	2.54
578	F	F	-3.42	-5.17	1.75
579	R	R	3.97	-2.02	5.99
580	S	S	-0.93	-1.13	0.2
581	P	P	-1.47	-1.75	0.29
582	S	S	0.1	-0.72	0.82
583	L	L	-6.06	-6.4	0.33
584	R	R	-0.98	-3.19	2.21
585	N	N	-4.8	-4.83	0.03
586	V	V	-1.17	-1.73	0.56
587	A	A	0.08	-0.97	1.06
588	I	I	-1.22	-0.74	-0.48
589	T	T	-5.21	-5.53	0.32
590	M	M	6.45	5.74	0.71
591	P	P	-6.27	-7.8	1.53
592	Y	Y	-4.97	-4.67	-0.3
593	F	F	1.43	1.6	-0.17
594	H	H	2.19	5.33	-3.14
595	S	S	1.54	0.18	1.37
596	G	G	0.38	-0.87	1.24
597	K	K	6.51	0.14	6.37
598	V	V	-3.63	-3.34	-0.29
599	W	W	-0.08	-0.3	0.21
600	K	K	0.33	3.47	-3.14
601	L	L	-3.76	-4.9	1.14
602	K	K	-4.07	-1.02	-3.05
603	D	D	-1.86	-3.03	1.16
604	A	A	-4.43	-4.6	0.17
605	V	V	-4.76	-5.38	0.62
606	K	K	-0.67	-3.4	2.73
607	I	I	-4.23	-2.74	-1.49
608	M	M	0.76	0.88	-0.12
609	G	G	2.09	-1.55	3.64
610	S	S	1.78	0.74	1.04
611	A	A	0.58	-2.9	3.48
612	Q	Q	-1.2	-5.11	3.91
613	L	L	-3.37	-2.09	-1.28
614	G	G	0.15	-1.31	1.46
615	I	I	-2.8	-0.62	-2.18
616	S	S	0.15	1.34	-1.2
617	I	I	1.32	-3.37	4.68
618	T	T	-0.21	-0.2	-0.01
619	D	D	-0.23	0.18	-0.42
620	A	A	1.34	0.97	0.37
621	D	D	-3.6	-3.86	0.25
622	A	A	-2.95	-3.12	0.18
623	D	D	-1.29	-2.3	1.01
624	K	K	-1.72	-2.23	0.5
625	I	I	-6.32	-6.2	-0.13
626	V	V	-2.68	-2.19	-0.5
627	T	T	0.41	-0.99	1.4
628	F	F	-4.4	-4.11	-0.29
629	L	L	-5.38	-7.1	1.71
630	N	N	4.34	3.06	1.28
631	T	T	-2.8	-0.64	-2.16
632	L	L	-2.78	-4.43	1.65
633	T	T	-0.07	-0.55	0.48
634	G	G	-2.61	-3.02	0.41
635	A	A	0.1	0.07	0.03
636	Q	Q	-0.6	12.3	-12.9
637	P	P	-1.51	22.65	-24.16
638	K	K	3.54	5.51	-1.97
639	V	V	-2.11	0.0	-2.11
640	M	M	5.39	3.73	1.66
641	H	H	0.58	4.04	-3.46
642	P	P	-3.39	-2.7	-0.69
643	V	V	1.32	1.03	0.29
644	L	L	-2.79	-2.39	-0.4
645	P	P	-0.57	-5.6	5.03
646	P	P	-2.42	-3.2	0.78
647	N	N	1.51	1.22	0.3
648	S	S	1.48	1.29	0.2
649	D	D	0.72	0.76	-0.04
650	D	D	0.02	-0.92	0.94
651	T	T	-0.39	0.23	-0.62
652	P	P	-3.22	-3.79	0.57
653	R	R	6.76	3.85	2.91
654	P	P	-3.72	-3.67	-0.04
655	V	V	8.91	0.96	7.95
656	S	S	9.88	-0.3	10.18
657	N	N	3.51	4.13	-0.62
658	X	-	102.44	-	-
659	X	-	-36.2	-	-
660	X	-	-14.91	-	-
661	X	-	-1.21	-	-
662	X	-	-3.01	-	-
663	X	-	-1.65	-	-
664	X	-	-0.52	-	-
665	X	-	-6.66	-	-
666	X	-	0.12	-	-
667	X	-	-1.66	-	-
668	X	-	-1.96	-	-
669	X	X	-3.55	-24.41	20.85
670	X	X	-4.48	-29.89	25.41
671	X	X	-0.87	-14.45	13.58
672	X	X	2.79	-2.23	5.02
673	X	X	-1.24	-1.77	0.53
674	X	X	-1.04	0.55	-1.59
675	X	X	0.0	-0.15	0.15

Analysis of pair 4aalA_4aanA

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