Analysis of 4rwqB

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	-	-	0.94	0.94	0.94	0.93	0.22	0.25	0.16	-	-	-
000	-	-	0.91	0.91	0.92	0.91	0.0	0.0	0.0	001; 001; 007; 007; 009; 009; 003; 003; 002; 002	0.88; 0.88; 0.84; 0.84; 0.78; 0.78; 0.74; 0.74; 0.71; 0.71	0.93; 0.93; 0.91; 0.91; 0.79; 0.80; 0.80; 0.80; 0.73; 0.72
001	-	-	0.94	0.92	0.94	0.91	0.08	0.08	0.06	001; 001; 008; 007; 007; 008; 002; 002; 005; 005	0.89; 0.89; 0.84; 0.84; 0.84; 0.84; 0.83; 0.83; 0.77; 0.77	0.96; 0.96; 0.85; 0.90; 0.90; 0.85; 0.90; 0.90; 0.77; 0.77
002	-	-	0.9	0.9	0.87	0.94	0.0	0.0	0.0	001; 001; 010; 010; 008; 009; 009; 008; 003; 003	0.87; 0.87; 0.85; 0.85; 0.75; 0.75; 0.75; 0.75; 0.71; 0.71	0.93; 0.93; 0.86; 0.86; 0.75; 0.75; 0.76; 0.75; 0.74; 0.74
003	-	-	0.89	0.89	0.89	0.89	0.0	0.0	0.0	001; 001; 009; 009; 005; 005; 008; 008; 010; 010	0.88; 0.88; 0.83; 0.82; 0.78; 0.78; 0.76; 0.76; 0.56; 0.55	0.92; 0.92; 0.85; 0.85; 0.83; 0.84; 0.80; 0.80; 0.55; 0.55
004	-	-	0.78	0.84	0.82	0.9	0.0	0.0	0.01	001; 001; 008; 009; 008; 009; 002; 002; 006; 006	0.86; 0.86; 0.83; 0.83; 0.83; 0.83; 0.70; 0.70; 0.67; 0.67	0.92; 0.92; 0.90; 0.89; 0.90; 0.89; 0.77; 0.77; 0.71; 0.71
005	-	-	0.79	0.8	0.77	0.78	0.03	0.02	0.06	001; 001; 002; 002; 003; 003; 004; 009; 004; 009	0.78; 0.78; 0.76; 0.76; 0.73; 0.73; 0.72; 0.72; 0.72; 0.72	0.81; 0.81; 0.79; 0.79; 0.77; 0.77; 0.78; 0.76; 0.78; 0.76
006	-	-	0.93	0.92	0.95	0.92	0.06	0.05	0.04	001; 002; 002; 001; 010; 010; 008; 008; 007; 007	0.90; 0.90; 0.90; 0.90; 0.84; 0.84; 0.83; 0.83; 0.74; 0.74	0.95; 0.90; 0.90; 0.95; 0.86; 0.86; 0.85; 0.85; 0.82; 0.82
007	-	-	0.82	0.86	0.82	0.88	0.0	0.0	0.0	006; 009; 009; 006; 008; 008; 002; 001; 007; 003	0.87; 0.87; 0.87; 0.87; 0.86; 0.86; 0.85; 0.85; 0.85; 0.85	0.93; 0.90; 0.90; 0.93; 0.88; 0.88; 0.89; 0.89; 0.92; 0.88
008	-	-	0.93	0.93	0.94	0.94	0.09	0.05	0.05	001; 001; 003; 003; 009; 009; 004; 004; 008; 008	0.89; 0.89; 0.88; 0.88; 0.86; 0.86; 0.81; 0.81; 0.76; 0.76	0.97; 0.97; 0.90; 0.90; 0.90; 0.90; 0.84; 0.84; 0.76; 0.76
009	-	-	0.82	0.87	0.83	0.88	0.01	0.01	0.01	001; 001; 003; 003; 005; 002; 002; 005; 004; 004	0.87; 0.87; 0.86; 0.86; 0.85; 0.85; 0.85; 0.85; 0.73; 0.73	0.92; 0.92; 0.89; 0.89; 0.92; 0.89; 0.89; 0.92; 0.75; 0.75
010	-	-	0.6	0.59	0.62	0.6	0.03	0.02	0.02	001; 001; 009; 009; 002; 002; 004; 004; 003; 003	0.60; 0.60; 0.57; 0.57; 0.50; 0.50; 0.49; 0.49; 0.47; 0.47	0.65; 0.65; 0.61; 0.61; 0.54; 0.54; 0.50; 0.50; 0.52; 0.52

Aligned per-residue ΔΔG

aln_pos	aa1	aa2	E1	E2	dEdiff
1	M	M	19.72	5.75	13.96
2	E	E	24.14	0.16	23.97
3	L	L	42.42	-0.25	42.67
4	R	R	8.08	0.99	7.09
5	H	H	13.53	0.63	12.91
6	T	T	16.89	-0.75	17.65
7	P	P	-0.67	-4.98	4.31
8	A	A	-0.94	-1.89	0.95
9	R	R	10.26	2.39	7.86
10	D	D	9.0	-2.9	11.9
11	L	L	19.67	-4.39	24.06
12	D	D	13.51	0.62	12.88
13	K	K	4.19	0.8	3.38
14	F	F	-0.91	-3.1	2.2
15	I	I	3.7	-4.2	7.9
16	E	E	-0.23	1.09	-1.32
17	D	D	3.58	-1.08	4.66
18	H	H	7.81	1.14	6.67
19	L	L	1.68	-4.07	5.75
20	L	L	8.58	-1.21	9.8
21	P	P	-2.09	-2.67	0.58
22	N	N	0.43	1.92	-1.49
23	T	T	1.9	1.78	0.13
24	C	C	2.69	2.9	-0.21
25	F	F	-0.86	-0.96	0.1
26	R	R	3.57	3.12	0.45
27	T	T	1.33	0.7	0.62
28	Q	Q	1.13	-3.51	4.64
29	V	V	-3.02	-3.15	0.14
30	K	K	4.74	4.37	0.37
31	E	E	-1.11	-1.37	0.26
32	A	A	-3.29	-4.19	0.89
33	I	I	-3.36	-4.32	0.96
34	D	D	-0.65	2.2	-2.85
35	I	I	0.19	-1.38	1.57
36	V	V	-3.42	-3.81	0.38
37	C	C	1.61	-0.36	1.96
38	R	R	5.47	1.87	3.61
39	F	F	-1.47	-5.01	3.55
40	L	L	-5.1	-5.89	0.79
41	K	K	0.34	5.03	-4.69
42	E	E	1.69	4.31	-2.62
43	R	R	5.74	4.56	1.18
44	C	C	2.87	1.27	1.6
45	F	F	18.51	-3.1	21.62
46	Q	Q	30.56	4.09	26.47
47	G	G	7.09	1.78	5.31
48	T	T	10.23	7.21	3.01
49	A	A	1.82	3.0	-1.18
50	D	D	1.22	7.63	-6.41
51	P	P	-0.33	4.24	-4.57
52	V	V	-3.24	21.45	-24.69
53	R	R	11.14	2.16	8.98
54	V	V	-2.78	-2.09	-0.68
55	S	S	2.27	1.58	0.69
56	K	K	-2.12	-2.14	0.02
57	V	V	-3.02	-0.63	-2.39
58	V	V	-2.15	-2.9	0.75
59	K	K	1.9	0.21	1.69
60	G	G	-1.55	-1.86	0.31
61	G	G	1.22	-0.64	1.87
62	S	S	0.48	2.06	-1.59
63	S	S	2.76	0.72	2.04
64	G	G	1.77	0.71	1.06
65	K	K	4.68	0.85	3.84
66	G	G	2.38	-1.03	3.41
67	T	T	4.35	-2.26	6.6
68	T	T	5.78	-0.05	5.83
69	L	L	65.41	-4.19	69.6
70	R	R	51.55	3.04	48.52
71	G	G	3.31	-0.81	4.12
72	R	R	6.68	1.53	5.15
73	S	S	-0.62	1.66	-2.28
74	D	D	0.99	-11.69	12.68
75	A	A	-1.78	-1.28	-0.5
76	D	D	-0.27	-9.73	9.46
77	L	L	-2.26	-5.41	3.15
78	V	V	-0.13	-5.44	5.31
79	V	V	-5.46	-0.39	-5.07
80	F	F	-5.01	-5.42	0.42
81	L	L	-3.75	-3.79	0.05
82	T	T	1.86	0.81	1.05
83	K	K	2.64	4.56	-1.91
84	L	L	-0.73	-1.03	0.31
85	T	T	1.45	-1.32	2.78
86	S	S	-0.87	-2.47	1.6
87	F	F	-2.41	-3.75	1.35
88	E	E	-1.35	2.74	-4.09
89	D	D	-4.66	-0.12	-4.54
90	Q	Q	6.19	-0.91	7.09
91	L	L	-0.99	-1.67	0.68
92	R	R	4.57	2.68	1.89
93	R	R	-3.85	-1.59	-2.26
94	R	R	34.15	0.51	33.64
95	G	G	1.16	0.41	0.74
96	E	E	-1.38	-0.26	-1.12
97	F	F	-3.02	-2.29	-0.73
98	I	I	5.52	-0.11	5.63
99	Q	Q	0.77	0.67	0.1
100	E	E	-2.66	-2.99	0.32
101	I	I	-2.98	-4.85	1.87
102	R	R	1.48	-2.09	3.57
103	R	R	12.39	4.81	7.58
104	Q	Q	2.63	-1.82	4.45
105	L	L	-2.19	-5.3	3.11
106	E	E	-1.73	-1.94	0.21
107	A	A	-2.07	0.53	-2.6
108	C	C	0.52	-0.65	1.16
109	Q	Q	0.11	2.14	-2.03
110	R	R	7.35	2.79	4.56
111	E	E	-0.47	-1.9	1.43
112	Q	Q	-0.34	3.57	-3.91
113	K	K	0.31	18.85	-18.54
114	F	F	-2.71	-1.16	-1.55
115	K	K	6.14	4.27	1.87
116	V	V	0.64	-1.74	2.39
117	T	T	4.68	-0.27	4.95
118	F	F	-1.22	-1.38	0.15
119	E	E	4.88	8.66	-3.77
120	V	V	-0.96	9.49	-10.45
121	Q	Q	2.48	4.01	-1.52
122	S	S	2.9	8.85	-5.95
123	P	P	0.21	29.87	-29.65
124	R	R	9.04	6.07	2.97
125	R	R	9.78	21.02	-11.24
126	E	E	11.12	9.14	1.98
127	N	N	9.28	3.89	5.39
128	P	P	2.64	-1.35	4.0
129	R	R	53.38	13.71	39.67
130	A	A	14.46	-0.43	14.88
131	L	L	86.38	-2.95	89.33
132	S	S	71.37	1.45	69.92
133	F	F	-2.32	-6.64	4.32
134	V	V	-1.13	-0.95	-0.17
135	L	L	-5.5	-1.99	-3.51
136	S	S	-0.94	1.45	-2.39
137	S	S	3.52	1.85	1.67
138	P	P	2.07	0.21	1.86
139	Q	Q	3.75	3.22	0.53
140	L	L	0.89	-2.43	3.32
141	Q	Q	0.71	-0.4	1.11
142	Q	Q	1.3	1.03	0.27
143	E	E	-0.47	-0.98	0.51
144	V	V	-1.86	-4.58	2.72
145	E	E	-0.47	2.0	-2.47
146	F	F	-5.52	-3.82	-1.7
147	D	D	0.17	-5.42	5.59
148	V	V	-1.34	-3.78	2.44
149	L	L	1.14	-0.29	1.43
150	P	P	-4.99	-2.56	-2.43
151	A	A	-3.42	-4.35	0.92
152	F	F	2.51	-1.65	4.16
153	D	D	-1.11	-1.96	0.85
154	A	A	-0.21	-2.72	2.51
155	L	L	-2.21	-4.2	2.0
156	G	G	-1.04	-0.52	-0.52
157	Q	Q	4.08	3.36	0.71
158	W	W	-1.63	1.1	-2.73
159	T	T	0.84	8.42	-7.57
160	P	P	-3.71	-1.57	-2.13
161	G	G	0.01	-1.33	1.34
162	Y	Y	1.63	6.66	-5.03
163	K	K	2.84	11.89	-9.05
164	P	P	-4.43	-4.13	-0.3
165	N	N	0.44	0.34	0.1
166	P	P	-2.73	-3.18	0.44
167	E	E	-0.67	-1.55	0.89
168	I	I	1.81	-0.13	1.94
169	Y	Y	-2.66	-2.75	0.09
170	V	V	-1.47	-1.75	0.27
171	Q	Q	0.15	1.04	-0.9
172	L	L	-4.2	-4.71	0.51
173	I	I	-3.82	-3.44	-0.38
174	K	K	-1.92	-0.05	-1.87
175	E	E	-1.61	7.57	-9.17
176	C	C	6.4	-0.71	7.11
177	K	K	2.45	4.0	-1.56
178	S	S	2.62	0.94	1.68
179	R	R	8.76	5.84	2.92
180	G	G	0.36	1.04	-0.68
181	K	K	4.05	1.09	2.96
182	E	E	0.79	2.59	-1.79
183	G	G	-0.7	-1.75	1.04
184	E	E	0.12	-0.77	0.89
185	F	F	-2.51	-4.27	1.76
186	S	S	0.59	-0.56	1.15
187	T	T	1.6	1.62	-0.02
188	C	C	7.91	0.41	7.5
189	F	F	-2.14	-5.4	3.26
190	T	T	0.07	0.48	-0.41
191	E	E	-2.45	-1.89	-0.56
192	L	L	-2.06	-2.45	0.39
193	Q	Q	-1.64	-1.38	-0.25
194	R	R	4.19	-0.36	4.56
195	D	D	2.67	1.49	1.17
196	F	F	-1.94	-2.06	0.13
197	L	L	-1.8	1.41	-3.2
198	R	R	4.95	9.3	-4.35
199	N	N	8.14	0.75	7.39
200	R	R	1.69	0.52	1.17
201	P	P	-4.14	-4.33	0.19
202	T	T	1.31	1.66	-0.34
203	K	K	2.77	-0.53	3.3
204	L	L	-3.22	-2.66	-0.56
205	K	K	-1.38	-4.85	3.47
206	S	S	-0.61	-1.14	0.54
207	L	L	-2.82	-4.59	1.77
208	I	I	-0.78	-3.97	3.19
209	R	R	9.48	2.41	7.07
210	L	L	-2.79	-5.86	3.07
211	V	V	-0.83	-3.78	2.95
212	K	K	0.11	-0.55	0.66
213	H	H	1.5	-0.47	1.97
214	W	W	-0.6	-4.6	4.0
215	Y	Y	-1.31	-3.5	2.19
216	Q	Q	0.35	-1.03	1.39
217	T	T	1.12	0.48	0.64
218	C	C	-0.04	-1.71	1.68
219	K	K	2.45	6.69	-4.23
220	K	K	3.26	0.17	3.08
221	T	T	2.02	1.22	0.8
222	H	H	6.22	-3.89	10.12
223	G	G	9.75	-0.7	10.46
224	N	N	2.66	7.78	-5.11
225	K	K	2.02	2.42	-0.41
226	L	L	31.56	-3.02	34.58
227	P	P	-1.55	-4.14	2.59
228	P	P	-3.91	-4.83	0.91
229	Q	Q	2.64	0.38	2.27
230	Y	Y	1.32	-1.85	3.16
231	A	A	-2.0	-4.48	2.47
232	L	L	0.24	-1.91	2.15
233	E	E	-0.99	-2.02	1.03
234	L	L	-6.75	-7.15	0.4
235	L	L	-3.24	-4.81	1.57
236	T	T	-3.11	-2.99	-0.12
237	V	V	-2.74	-3.54	0.8
238	Y	Y	-2.46	-4.5	2.04
239	A	A	-2.18	-3.86	1.68
240	W	W	-2.73	-4.88	2.16
241	E	E	-4.49	-5.05	0.55
242	Q	Q	2.7	-0.8	3.5
243	G	G	-0.41	0.61	-1.01
244	S	S	2.99	2.17	0.82
245	R	R	2.06	7.32	-5.26
246	K	K	-0.9	2.32	-3.22
247	T	T	3.64	2.03	1.61
248	D	D	3.12	3.54	-0.42
249	F	F	-0.01	-2.27	2.26
250	S	S	0.74	-0.47	1.21
251	T	T	0.76	0.6	0.17
252	A	A	0.43	-2.25	2.68
253	Q	Q	2.67	-1.5	4.17
254	G	G	-0.46	-0.98	0.53
255	F	F	-1.77	-3.71	1.94
256	Q	Q	0.17	-4.58	4.75
257	T	T	-0.97	-3.5	2.53
258	V	V	-3.03	-3.75	0.72
259	L	L	-3.85	-6.79	2.94
260	E	E	0.09	-3.29	3.38
261	L	L	-3.63	-4.07	0.44
262	V	V	-0.07	-3.72	3.65
263	L	L	0.27	-1.78	2.05
264	K	K	-1.28	0.41	-1.69
265	H	H	1.69	0.69	1.0
266	Q	Q	2.86	9.52	-6.66
267	K	K	3.76	1.42	2.34
268	L	L	-1.49	-2.19	0.71
269	C	C	1.73	1.99	-0.27
270	I	I	-4.19	-5.08	0.89
271	F	F	-1.9	-3.57	1.67
272	W	W	-1.05	-2.13	1.07
273	E	E	6.12	-0.08	6.2
274	A	A	1.56	-0.12	1.67
275	Y	Y	-1.25	-1.76	0.51
276	Y	Y	0.23	-1.99	2.22
277	D	D	11.16	-1.5	12.66
278	F	F	-1.34	-0.6	-0.73
279	T	T	2.61	1.54	1.07
280	N	N	0.45	-0.39	0.84
281	P	P	0.41	0.46	-0.05
282	V	V	-0.67	-1.72	1.05
283	V	V	-3.27	-4.04	0.77
284	G	G	-0.97	-1.48	0.52
285	R	R	1.14	1.87	-0.73
286	C	C	3.16	1.23	1.94
287	M	M	2.46	-2.64	5.1
288	L	L	-1.53	1.95	-3.49
289	Q	Q	0.63	0.71	-0.08
290	Q	Q	-1.85	-2.94	1.08
291	L	L	-3.15	-4.98	1.82
292	K	K	-0.62	0.35	-0.97
293	K	K	3.92	0.97	2.95
294	P	P	-1.51	-1.43	-0.08
295	R	R	2.45	1.72	0.73
296	P	P	-3.84	-3.33	-0.52
297	V	V	3.16	-3.97	7.13
298	I	I	-1.43	-4.14	2.71
299	L	L	-1.84	-3.16	1.31
300	D	D	-1.91	-5.83	3.92
301	P	P	-4.2	-3.18	-1.03
302	A	A	0.2	-2.63	2.83
303	D	D	5.11	-0.37	5.49
304	P	P	-0.59	-2.65	2.06
305	T	T	0.38	-4.74	5.12
306	G	G	1.62	2.42	-0.8
307	N	N	4.67	0.12	4.55
308	V	V	1.61	3.3	-1.7
309	G	G	0.57	-0.57	1.14
310	G	G	1.48	-0.05	1.53
311	G	G	0.18	-0.98	1.17
312	D	D	0.19	-0.34	0.53
313	T	T	4.43	1.25	3.18
314	H	H	-0.39	3.83	-4.21
315	S	S	0.33	-0.9	1.23
316	W	W	1.25	-4.99	6.24
317	Q	Q	2.27	0.69	1.58
318	R	R	0.7	2.43	-1.73
319	L	L	-1.31	-4.6	3.29
320	A	A	-2.91	-3.61	0.7
321	Q	Q	0.14	-0.57	0.72
322	E	E	2.1	-2.18	4.28
323	A	A	-2.19	-4.48	2.29
324	R	R	0.9	0.39	0.5
325	V	V	0.31	0.59	-0.28
326	W	W	0.7	-1.14	1.84
327	L	L	-1.26	-1.72	0.46
328	G	G	0.14	0.33	-0.19
329	Y	Y	0.47	3.2	-2.74
330	P	-	2.28	-	-
331	C	-	5.22	-	-
332	C	-	-0.43	-	-
333	K	-	3.82	-	-
334	N	-	-0.41	-	-
335	L	-	5.92	-	-
336	D	-	3.18	-	-
337	G	-	-2.13	-	-
338	S	-	1.65	-	-
339	L	-	7.79	-	-
340	V	-	0.0	-	-
341	G	-	-0.17	-	-
342	A	-	0.63	-	-
343	W	-	2.38	-	-
344	T	-	5.04	-	-
345	M	-	2.74	-	-
346	L	-	3.74	-	-
347	M	-	16.6	-	-
348	E	-	6.61	-	-
349	L	-	50.72	-	-
350	R	-	38.83	-	-
351	H	-	7.81	-	-
352	T	-	11.17	-	-
353	P	-	3.24	-	-
354	A	-	-1.52	-	-
355	R	-	2.21	-	-
356	D	-	-0.64	-	-
357	L	-	-3.74	-	-
358	D	-	3.84	-	-
359	K	-	28.73	-	-
360	F	-	4.25	-	-
361	I	-	3.44	-	-
362	E	-	1.34	-	-
363	D	-	-1.0	-	-
364	H	-	7.19	-	-
365	L	-	1.5	-	-
366	L	-	9.02	-	-
367	P	P	-0.92	-0.26	-0.66
368	N	-	-0.66	-	-
369	T	-	1.69	-	-
370	C	-	4.05	-	-
371	F	-	-0.82	-	-
372	R	-	5.36	-	-
373	T	-	1.09	-	-
374	Q	-	-2.0	-	-
375	V	-	-1.2	-	-
376	K	-	3.51	-	-
377	E	-	-1.8	-	-
378	A	-	-3.16	-	-
379	I	-	-1.52	-	-
380	D	-	-0.9	-	-
381	I	-	-0.19	-	-
382	V	-	0.38	-	-
383	C	-	1.51	-	-
384	R	-	4.22	-	-
385	F	-	-2.04	-	-
386	L	-	-5.26	-	-
387	K	-	1.33	-	-
388	E	-	0.45	-	-
389	R	-	2.73	-	-
390	C	C	1.04	0.6	0.44
391	F	-	0.32	-	-
392	Q	-	2.51	-	-
393	G	-	2.8	-	-
394	T	-	4.3	-	-
395	A	-	2.75	-	-
396	D	-	24.26	-	-
397	P	-	9.39	-	-
398	V	-	5.61	-	-
399	R	-	2.98	-	-
400	V	-	-2.17	-	-
401	S	-	2.84	-	-
402	K	-	0.31	-	-
403	V	-	-2.69	-	-
404	V	-	-1.2	-	-
405	K	-	3.87	-	-
406	G	-	-1.85	-	-
407	G	-	2.17	-	-
408	S	-	-0.4	-	-
409	S	-	4.34	-	-
410	G	-	0.91	-	-
411	K	-	45.68	-	-
412	G	-	1.58	-	-
413	T	-	38.68	-	-
414	T	-	39.91	-	-
415	L	-	14.05	-	-
416	R	-	28.48	-	-
417	G	-	11.37	-	-
418	R	-	61.12	-	-
419	S	-	4.2	-	-
420	D	-	5.23	-	-
421	A	-	1.82	-	-
422	D	-	1.52	-	-
423	L	-	-1.33	-	-
424	V	-	-4.27	-	-
425	V	-	-5.26	-	-
426	F	-	-1.06	-	-
427	L	-	-4.31	-	-
428	T	-	2.47	-	-
429	K	-	9.13	-	-
430	L	-	1.79	-	-
431	T	-	-0.04	-	-
432	S	-	-0.26	-	-
433	F	-	-4.23	-	-
434	E	-	-0.74	-	-
435	D	-	-3.74	-	-
436	Q	-	7.83	-	-
437	L	-	-0.81	-	-
438	R	-	3.76	-	-
439	R	-	-3.4	-	-
440	R	-	2.04	-	-
441	G	-	1.36	-	-
442	E	-	-0.06	-	-
443	F	-	-2.85	-	-
444	I	-	1.19	-	-
445	Q	-	-0.27	-	-
446	E	-	-1.09	-	-
447	I	-	-2.67	-	-
448	R	-	1.36	-	-
449	R	-	1.33	-	-
450	Q	-	-1.62	-	-
451	L	-	-3.14	-	-
452	E	-	-1.54	-	-
453	A	-	-0.85	-	-
454	C	C	1.37	-0.68	2.05
455	Q	-	0.87	-	-
456	R	-	5.54	-	-
457	E	-	-2.31	-	-
458	Q	-	-0.49	-	-
459	K	-	0.99	-	-
460	F	-	-1.71	-	-
461	K	K	2.99	-3.83	6.82
462	V	-	-0.69	-	-
463	T	-	4.53	-	-
464	F	-	5.59	-	-
465	E	-	8.21	-	-
466	V	-	-3.01	-	-
467	Q	-	0.92	-	-
468	S	-	2.01	-	-
469	P	-	-1.08	-	-
470	R	-	3.96	-	-
471	R	-	3.96	-	-
472	E	-	7.87	-	-
473	N	N	4.94	-0.53	5.47
474	P	-	1.64	-	-
475	R	-	13.67	-	-
476	A	-	5.49	-	-
477	L	-	-0.32	-	-
478	S	-	-1.2	-	-
479	F	-	-2.87	-	-
480	V	-	-1.39	-	-
481	L	-	-3.2	-	-
482	S	-	0.77	-	-
483	S	-	3.43	-	-
484	P	-	1.44	-	-
485	Q	-	3.46	-	-
486	L	-	0.28	-	-
487	Q	-	2.55	-	-
488	Q	-	2.24	-	-
489	E	-	48.65	-	-
490	V	-	1.23	-	-
491	E	-	1.52	-	-
492	F	-	-3.0	-	-
493	D	-	0.61	-	-
494	V	-	-3.58	-	-
495	L	L	0.07	4.5	-4.43
496	P	-	-4.38	-	-
497	A	-	-2.21	-	-
498	F	-	1.16	-	-
499	D	D	3.29	0.42	2.87
500	A	-	-0.18	-	-
501	L	-	-1.96	-	-
502	G	-	0.48	-	-
503	Q	-	3.72	-	-
504	W	-	0.51	-	-
505	T	-	1.75	-	-
506	P	-	-4.09	-	-
507	G	-	0.06	-	-
508	Y	-	4.32	-	-
509	K	-	22.77	-	-
510	P	-	-4.49	-	-
511	N	-	-0.61	-	-
512	P	-	-3.14	-	-
513	E	-	-1.77	-	-
514	I	-	-0.4	-	-
515	Y	-	-3.51	-	-
516	V	-	-1.68	-	-
517	Q	-	-1.63	-	-
518	L	-	-3.82	-	-
519	I	-	-3.45	-	-
520	K	-	-1.23	-	-
521	E	-	-3.11	-	-
522	C	-	0.66	-	-
523	K	-	2.63	-	-
524	S	-	2.06	-	-
525	R	-	7.22	-	-
526	G	-	-1.02	-	-
527	K	-	0.59	-	-
528	E	-	1.49	-	-
529	G	G	-0.46	-2.47	2.0
530	E	-	-0.09	-	-
531	F	-	-2.58	-	-
532	S	-	0.66	-	-
533	T	-	1.1	-	-
534	C	-	8.5	-	-
535	F	-	-2.0	-	-
536	T	-	1.3	-	-
537	E	-	1.43	-	-
538	L	-	-4.19	-	-
539	Q	-	-1.23	-	-
540	R	-	9.17	-	-
541	D	-	2.59	-	-
542	F	-	-1.08	-	-
543	L	-	-1.44	-	-
544	R	-	14.71	-	-
545	N	-	-0.33	-	-
546	R	-	4.89	-	-
547	P	-	-4.22	-	-
548	T	-	1.76	-	-
549	K	-	3.18	-	-
550	L	-	-0.42	-	-
551	K	-	2.61	-	-
552	S	S	-0.62	-1.19	0.57
553	L	-	-3.88	-	-
554	I	-	0.75	-	-
555	R	-	0.17	-	-
556	L	-	-4.16	-	-
557	V	-	-1.12	-	-
558	K	-	-0.85	-	-
559	H	-	1.69	-	-
560	W	-	-2.08	-	-
561	Y	-	-1.29	-	-
562	Q	-	0.56	-	-
563	T	-	0.92	-	-
564	C	-	0.16	-	-
565	K	-	45.39	-	-
566	K	-	0.65	-	-
567	T	-	2.54	-	-
568	H	-	5.71	-	-
569	G	-	2.77	-	-
570	N	-	48.39	-	-
571	K	-	7.81	-	-
572	L	-	29.53	-	-
573	P	-	-1.32	-	-
574	P	-	-1.75	-	-
575	Q	-	3.98	-	-
576	Y	-	-0.3	-	-
577	A	-	-2.13	-	-
578	L	-	0.77	-	-
579	E	-	-0.74	-	-
580	L	-	-5.72	-	-
581	L	L	-3.78	-1.34	-2.43
582	T	-	-3.14	-	-
583	V	V	-2.19	-2.48	0.3
584	Y	-	-2.78	-	-
585	A	-	-2.91	-	-
586	W	-	-2.83	-	-
587	E	-	-2.66	-	-
588	Q	-	-0.09	-	-
589	G	G	-1.01	-1.85	0.85
590	S	-	1.44	-	-
591	R	-	5.94	-	-
592	K	-	0.02	-	-
593	T	-	1.07	-	-
594	D	-	2.47	-	-
595	F	-	1.24	-	-
596	S	-	0.76	-	-
597	T	-	0.35	-	-
598	A	A	-0.77	-0.79	0.02
599	Q	-	2.19	-	-
600	G	-	-0.86	-	-
601	F	-	-3.73	-	-
602	Q	-	-2.72	-	-
603	T	-	-3.35	-	-
604	V	-	-2.36	-	-
605	L	-	-5.3	-	-
606	E	-	-3.38	-	-
607	L	-	-2.42	-	-
608	V	-	1.08	-	-
609	L	-	-0.75	-	-
610	K	-	-1.34	-	-
611	H	-	2.3	-	-
612	Q	-	7.06	-	-
613	K	-	4.46	-	-
614	L	-	-0.95	-	-
615	C	-	2.15	-	-
616	I	-	-4.38	-	-
617	F	-	-2.83	-	-
618	W	W	-0.51	-2.43	1.93
619	E	-	6.33	-	-
620	A	-	0.52	-	-
621	Y	-	-1.19	-	-
622	Y	-	-0.49	-	-
623	D	-	0.29	-	-
624	F	-	-1.87	-	-
625	T	T	2.31	2.46	-0.16
626	N	-	0.99	-	-
627	P	-	0.74	-	-
628	V	-	-1.65	-	-
629	V	-	-2.92	-	-
630	G	-	-1.08	-	-
631	R	-	0.25	-	-
632	C	-	1.87	-	-
633	M	M	-1.23	1.86	-3.09
634	L	L	-0.75	1.81	-2.57
635	Q	-	2.2	-	-
636	Q	Q	-1.35	1.44	-2.79
637	L	-	-2.83	-	-
638	K	-	-1.22	-	-
639	K	K	4.42	7.98	-3.56
640	P	-	-1.68	-	-
641	R	-	3.21	-	-
642	P	-	-0.43	-	-
643	V	-	-3.13	-	-
644	I	I	-3.86	2.07	-5.93
645	L	-	0.42	-	-
646	D	-	-1.63	-	-
647	P	-	-3.29	-	-
648	A	-	-0.4	-	-
649	D	-	1.25	-	-
650	P	-	-3.62	-	-
651	T	-	-1.36	-	-
652	G	-	1.99	-	-
653	N	-	2.07	-	-
654	V	-	8.52	-	-
655	G	-	0.59	-	-
656	G	-	2.03	-	-
657	G	-	3.1	-	-
658	D	-	3.12	-	-
659	T	-	2.93	-	-
660	H	-	3.18	-	-
661	S	-	2.03	-	-
662	W	-	0.15	-	-
663	Q	-	12.32	-	-
664	R	-	26.66	-	-
665	L	-	1.03	-	-
666	A	-	-2.51	-	-
667	Q	-	-0.01	-	-
668	E	-	1.56	-	-
669	A	-	-2.96	-	-
670	R	-	0.54	-	-
671	V	-	-0.08	-	-
672	W	-	18.51	-	-
673	L	-	-1.44	-	-
674	G	-	0.61	-	-
675	Y	-	6.77	-	-
676	P	-	-0.33	-	-
677	C	-	3.21	-	-
678	C	-	-1.05	-	-
679	K	-	3.23	-	-
680	N	-	5.37	-	-
681	L	-	8.3	-	-
682	D	-	0.92	-	-
683	G	-	-1.8	-	-
684	S	-	2.18	-	-
685	L	-	0.6	-	-
686	V	-	5.47	-	-
687	G	-	-1.43	-	-
688	A	-	-0.14	-	-
689	W	-	-1.03	-	-
690	T	-	3.52	-	-
691	M	-	4.14	-	-
692	L	-	5.26	-	-
693	-	X	-	21.28	-
694	-	X	-	6.51	-
695	-	X	-	-15.39	-
696	-	X	-	-28.79	-
697	-	X	-	-0.71	-
698	-	X	-	0.75	-
699	-	X	-	1.16	-
700	-	X	-	1.65	-
701	-	X	-	3.91	-
702	-	X	-	2.87	-
703	-	X	-	1.66	-
704	-	X	-	2.56	-
705	-	X	-	2.48	-
706	-	X	-	1.75	-
707	-	X	-	0.14	-
708	-	X	-	-0.55	-
709	-	X	-	0.45	-
710	-	X	-	1.96	-
711	-	X	-	1.95	-
712	-	X	-	3.28	-
713	-	X	-	-0.04	-
714	-	X	-	3.88	-
715	-	X	-	3.15	-
716	-	X	-	-0.85	-
717	-	X	-	-2.38	-
718	-	X	-	-0.13	-
719	-	X	-	0.87	-
720	-	X	-	1.33	-
721	-	X	-	3.08	-
722	-	X	-	0.95	-
723	-	X	-	2.47	-
724	-	X	-	4.85	-
725	-	X	-	2.58	-
726	-	X	-	2.01	-
727	-	X	-	0.81	-
728	-	X	-	1.11	-
729	-	X	-	0.35	-
730	-	X	-	2.73	-
731	-	X	-	4.92	-
732	-	X	-	2.55	-
733	-	X	-	4.01	-
734	-	X	-	1.92	-
735	-	X	-	1.23	-
736	-	X	-	0.51	-

Analysis of pair 4rwqB_4rwnA

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