Analysis of 1nocA

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	0.93	0.88	0.93	0.3	0.28	0.31	-	-	-
000	-	-	0.77	0.75	0.77	0.78	0.03	0.03	0.02	001; 002; 001; 005; 002; 005; 008; 003; 008; 003	0.30; 0.30; 0.30; 0.29; 0.29; 0.29; 0.27; 0.26; 0.26; 0.25	0.29; 0.30; 0.29; 0.27; 0.29; 0.27; 0.23; 0.24; 0.23; 0.23
001	-	-	0.8	0.8	0.79	0.8	0.04	0.04	0.03	008; 008; 005; 001; 005; 001; 007; 007; 002; 003	0.37; 0.37; 0.32; 0.32; 0.31; 0.30; 0.28; 0.28; 0.27; 0.26	0.36; 0.36; 0.30; 0.29; 0.31; 0.29; 0.28; 0.26; 0.26; 0.25
002	-	-	0.87	0.89	0.88	0.93	0.0	0.0	0.0	001; 001; 006; 005; 005; 006; 003; 003; 002; 010	0.32; 0.29; 0.29; 0.29; 0.29; 0.29; 0.28; 0.27; 0.24; 0.23	0.29; 0.29; 0.27; 0.30; 0.30; 0.28; 0.28; 0.26; 0.25; 0.22
003	-	-	0.84	0.84	0.85	0.84	0.0	0.0	0.01	005; 005; 001; 001; 003; 003; 004; 004; 006; 006	0.40; 0.39; 0.37; 0.36; 0.28; 0.28; 0.27; 0.26; 0.24; 0.24	0.33; 0.36; 0.35; 0.35; 0.26; 0.30; 0.29; 0.30; 0.25; 0.24
004	-	-	0.8	0.8	0.8	0.81	0.01	0.01	0.01	001; 004; 004; 001; 005; 005; 002; 002; 008; 008	0.33; 0.33; 0.33; 0.33; 0.30; 0.30; 0.28; 0.27; 0.26; 0.26	0.32; 0.29; 0.29; 0.31; 0.30; 0.30; 0.29; 0.28; 0.24; 0.24
005	-	-	0.86	0.83	0.86	0.86	0.02	0.02	0.01	002; 001; 002; 001; 008; 008; 004; 004; 009; 009	0.31; 0.30; 0.30; 0.28; 0.27; 0.27; 0.25; 0.25; 0.25; 0.23	0.30; 0.28; 0.30; 0.27; 0.25; 0.27; 0.25; 0.25; 0.26; 0.28
006	-	-	0.84	0.82	0.84	0.82	0.0	0.0	0.0	003; 003; 001; 004; 001; 004; 005; 008; 008; 005	0.36; 0.36; 0.31; 0.31; 0.30; 0.28; 0.27; 0.26; 0.26; 0.26	0.35; 0.35; 0.25; 0.29; 0.24; 0.29; 0.25; 0.25; 0.24; 0.23
007	-	-	0.77	0.75	0.74	0.74	0.01	0.01	0.01	006; 006; 005; 005; 010; 010; 002; 001; 001; 007	0.31; 0.30; 0.30; 0.30; 0.27; 0.27; 0.25; 0.25; 0.25; 0.25	0.30; 0.29; 0.32; 0.32; 0.24; 0.24; 0.26; 0.26; 0.26; 0.24
008	-	-	0.76	0.74	0.76	0.76	0.02	0.01	0.01	001; 001; 009; 009; 002; 007; 008; 008; 006; 002	0.30; 0.30; 0.29; 0.29; 0.28; 0.27; 0.27; 0.27; 0.27; 0.27	0.33; 0.32; 0.26; 0.26; 0.25; 0.26; 0.25; 0.25; 0.29; 0.23
009	-	-	0.81	0.81	0.8	0.81	0.0	0.0	0.01	008; 008; 001; 010; 009; 007; 010; 006; 001; 009	0.30; 0.30; 0.29; 0.29; 0.29; 0.29; 0.29; 0.29; 0.29; 0.29	0.31; 0.31; 0.32; 0.28; 0.29; 0.25; 0.28; 0.30; 0.32; 0.29
010	-	-	0.77	0.74	0.78	0.74	0.02	0.02	0.02	009; 006; 006; 009; 008; 007; 008; 007; 001; 001	0.31; 0.31; 0.31; 0.30; 0.28; 0.27; 0.27; 0.27; 0.26; 0.26	0.27; 0.30; 0.30; 0.24; 0.25; 0.25; 0.25; 0.25; 0.28; 0.29
011	-	-	0.86	0.84	0.88	0.86	0.02	0.01	0.02	001; 005; 005; 001; 006; 006; 002; 008; 002; 008	0.32; 0.30; 0.29; 0.29; 0.29; 0.29; 0.27; 0.26; 0.26; 0.26	0.29; 0.31; 0.31; 0.29; 0.28; 0.30; 0.28; 0.23; 0.26; 0.23
012	-	-	0.8	0.79	0.79	0.79	0.01	0.02	0.01	005; 005; 007; 001; 008; 010; 008; 001; 010; 007	0.31; 0.31; 0.28; 0.28; 0.28; 0.27; 0.27; 0.27; 0.26; 0.25	0.33; 0.33; 0.27; 0.27; 0.28; 0.21; 0.27; 0.27; 0.21; 0.28
013	-	-	0.78	0.78	0.76	0.77	0.01	0.01	0.01	001; 001; 004; 009; 010; 009; 004; 010; 002; 002	0.42; 0.41; 0.32; 0.31; 0.30; 0.29; 0.29; 0.27; 0.26; 0.23	0.39; 0.40; 0.28; 0.28; 0.29; 0.27; 0.27; 0.27; 0.24; 0.24
014	-	-	0.82	0.79	0.81	0.79	0.01	0.01	0.0	001; 001; 002; 002; 003; 003; 009; 007; 004; 007	0.34; 0.34; 0.31; 0.30; 0.30; 0.29; 0.28; 0.28; 0.27; 0.27	0.37; 0.37; 0.30; 0.29; 0.30; 0.30; 0.32; 0.27; 0.25; 0.28
015	-	-	0.76	0.74	0.77	0.75	0.02	0.02	0.02	005; 009; 005; 004; 001; 009; 008; 008; 006; 006	0.31; 0.31; 0.31; 0.30; 0.29; 0.29; 0.28; 0.28; 0.27; 0.27	0.33; 0.33; 0.30; 0.28; 0.29; 0.33; 0.28; 0.28; 0.24; 0.24
016	-	-	0.83	0.8	0.78	0.77	0.01	0.01	0.02	007; 004; 001; 004; 005; 006; 006; 005; 001; 003	0.30; 0.29; 0.28; 0.28; 0.28; 0.28; 0.28; 0.28; 0.28; 0.27	0.32; 0.27; 0.28; 0.28; 0.26; 0.25; 0.26; 0.26; 0.26; 0.26
017	-	-	0.79	0.77	0.79	0.8	0.01	0.01	0.01	010; 010; 007; 002; 002; 007; 009; 001; 008; 001	0.33; 0.33; 0.31; 0.29; 0.29; 0.29; 0.28; 0.27; 0.27; 0.27	0.34; 0.34; 0.29; 0.30; 0.30; 0.27; 0.26; 0.29; 0.29; 0.29
018	-	-	0.84	0.8	0.83	0.83	0.03	0.03	0.02	001; 004; 001; 008; 008; 005; 007; 007; 004; 005	0.31; 0.31; 0.30; 0.29; 0.29; 0.29; 0.29; 0.28; 0.28; 0.28	0.28; 0.29; 0.27; 0.25; 0.26; 0.27; 0.30; 0.29; 0.29; 0.28

Aligned per-residue ΔΔG

aln_pos	aa1	aa2	E1	E2	dEdiff
1	-	Q	-	8.65	-
2	-	Y	-	1.95	-
3	-	V	-	-0.11	-
4	-	R	-	2.24	-
5	-	I	-	9.41	-
6	-	K	-	-0.96	-
7	-	N	-	1.15	-
8	-	W	-	5.27	-
9	-	G	-	3.75	-
10	-	S	-	0.54	-
11	-	G	-	-1.82	-
12	-	E	-	0.97	-
13	-	I	-	0.93	-
14	-	L	-	-0.58	-
15	-	H	-	2.69	-
16	-	D	-	0.12	-
17	-	T	-	3.78	-
18	-	L	-	13.45	-
19	-	H	-	1.09	-
20	-	H	-	16.08	-
21	-	K	-	0.51	-
22	-	A	-	1.2	-
23	-	T	-	10.14	-
24	-	S	-	8.25	-
25	-	D	-	5.87	-
26	-	F	-	12.49	-
27	-	T	-	17.65	-
28	-	C	-	11.05	-
29	-	K	-	24.74	-
30	-	S	-	18.73	-
31	-	K	-	9.12	-
32	-	S	-	20.24	-
33	-	C	-	4.94	-
34	-	L	-	8.53	-
35	-	G	-	2.43	-
36	-	S	-	3.74	-
37	-	I	-	0.46	-
38	-	M	-	16.25	-
39	-	N	-	1.92	-
40	P	P	1.52	1.77	-0.25
41	K	K	1.93	1.69	0.24
42	S	S	19.89	0.92	18.98
43	L	L	-0.51	7.4	-7.9
44	T	T	-1.0	-0.21	-0.79
45	R	R	3.33	2.2	1.13
46	G	G	-0.1	1.79	-1.89
47	P	P	-2.16	2.13	-4.29
48	R	R	5.43	17.68	-12.25
49	D	D	0.52	8.31	-7.8
50	K	K	7.47	5.75	1.72
51	P	P	-0.51	0.12	-0.63
52	T	T	1.45	4.78	-3.33
53	P	P	-1.9	-1.93	0.03
54	L	L	7.39	5.54	1.85
55	E	E	1.57	1.85	-0.29
56	E	E	4.19	6.32	-2.13
57	L	L	-3.54	1.28	-4.82
58	L	L	28.77	14.78	13.99
59	P	P	-0.68	8.17	-8.85
60	H	H	1.95	0.85	1.1
61	A	A	-3.77	-3.74	-0.03
62	I	I	-0.48	11.08	-11.56
63	E	E	-0.87	5.67	-6.54
64	F	F	-3.08	-2.23	-0.85
65	I	I	6.65	0.12	6.53
66	N	N	3.32	2.48	0.84
67	Q	Q	0.79	3.42	-2.64
68	Y	Y	-1.76	4.31	-6.06
69	Y	Y	-1.1	0.29	-1.39
70	G	G	0.94	0.82	0.12
71	S	S	1.37	4.19	-2.82
72	F	F	4.52	13.55	-9.03
73	K	K	3.06	4.95	-1.89
74	E	E	5.86	9.41	-3.55
75	A	A	0.06	1.42	-1.36
76	K	K	6.7	3.62	3.08
77	I	I	5.22	26.33	-21.1
78	E	E	5.02	7.76	-2.74
79	E	E	0.55	-0.58	1.13
80	H	H	-1.08	-1.62	0.54
81	L	L	0.36	7.07	-6.71
82	A	A	-1.23	-0.63	-0.6
83	R	R	-1.31	0.05	-1.35
84	L	L	-1.98	0.9	-2.88
85	E	E	0.17	5.09	-4.93
86	A	A	-0.12	-1.05	0.93
87	V	V	4.42	4.87	-0.45
88	T	T	-0.38	-0.46	0.09
89	K	K	-0.81	2.08	-2.88
90	E	E	-1.91	-1.78	-0.13
91	I	I	-1.91	1.95	-3.85
92	E	E	1.24	1.18	0.05
93	T	T	2.58	2.87	-0.29
94	T	T	2.32	10.61	-8.29
95	G	G	-1.71	-1.83	0.12
96	T	T	0.77	11.79	-11.01
97	Y	Y	-2.6	-2.31	-0.28
98	Q	Q	0.09	0.69	-0.6
99	L	L	-5.61	-0.51	-5.11
100	T	T	0.26	1.72	-1.45
101	L	L	27.03	3.36	23.67
102	D	D	2.0	4.79	-2.79
103	E	E	-5.08	-0.09	-4.99
104	L	L	-4.75	15.57	-20.32
105	I	I	-1.48	3.41	-4.9
106	F	F	-3.31	3.46	-6.77
107	A	A	-3.12	-1.85	-1.27
108	T	T	-3.24	-1.22	-2.02
109	K	K	-2.58	-2.99	0.41
110	M	M	2.91	0.73	2.17
111	A	A	-3.91	-3.62	-0.29
112	W	W	-1.84	-0.94	-0.9
113	R	R	1.21	-1.84	3.05
114	N	N	-3.76	-3.09	-0.67
115	A	A	3.62	3.61	0.01
116	P	P	3.06	0.77	2.3
117	R	R	3.56	-4.49	8.05
118	C	C	4.68	-0.91	5.59
119	I	I	7.34	6.43	0.92
120	G	G	0.81	-0.84	1.66
121	R	R	0.23	-2.4	2.63
122	I	I	5.43	3.61	1.82
123	Q	Q	11.19	-0.13	11.32
124	W	W	0.27	1.56	-1.29
125	S	S	0.8	-1.52	2.32
126	N	N	3.04	2.68	0.36
127	L	L	-4.69	-3.12	-1.57
128	Q	Q	2.41	1.64	0.77
129	V	V	-3.16	-0.48	-2.68
130	F	F	-1.09	0.1	-1.19
131	D	D	-3.32	-3.12	-0.2
132	A	A	-1.77	-2.09	0.32
133	R	R	-2.76	-2.27	-0.49
134	N	N	8.49	3.93	4.56
135	C	C	2.35	2.77	-0.41
136	S	S	0.55	0.19	0.36
137	T	T	2.82	9.1	-6.28
138	A	A	-2.8	-1.62	-1.18
139	Q	Q	9.63	1.17	8.47
140	E	E	2.71	0.65	2.06
141	M	M	-4.75	12.11	-16.85
142	F	F	-3.48	-0.84	-2.64
143	Q	Q	0.32	0.51	-0.19
144	H	H	-1.91	1.92	-3.83
145	I	I	-3.64	7.43	-11.06
146	C	C	-0.23	-0.36	0.13
147	R	R	1.93	2.71	-0.78
148	H	H	-0.49	-1.77	1.28
149	I	I	-0.89	-1.68	0.79
150	L	L	14.81	0.74	14.07
151	Y	Y	-3.21	-1.39	-1.82
152	A	A	-3.45	-2.05	-1.4
153	T	T	-0.49	0.41	-0.9
154	N	N	-0.99	-1.22	0.23
155	N	N	1.55	3.78	-2.23
156	G	G	-4.06	-3.27	-0.79
157	N	N	0.08	2.45	-2.37
158	I	I	-0.05	-0.02	-0.03
159	R	R	-1.93	-1.08	-0.84
160	S	S	-2.58	-2.29	-0.29
161	A	A	-3.11	-1.58	-1.53
162	I	I	-4.89	-4.54	-0.35
163	T	T	-0.3	2.18	-2.47
164	V	V	-3.87	-4.0	0.13
165	F	F	-4.05	0.83	-4.89
166	P	P	-0.8	-1.6	0.8
167	Q	Q	4.78	2.96	1.83
168	R	R	-1.85	7.36	-9.21
169	S	S	2.65	1.8	0.85
170	D	D	1.39	3.83	-2.44
171	G	G	-0.82	0.63	-1.45
172	K	K	-1.64	9.78	-11.43
173	H	H	4.02	5.91	-1.89
174	D	D	-2.36	-1.83	-0.53
175	F	F	-3.07	-1.43	-1.64
176	R	R	-0.65	15.9	-16.56
177	L	L	-1.76	0.36	-2.12
178	W	W	-0.72	-2.01	1.29
179	N	N	2.61	0.23	2.38
180	S	S	0.78	0.11	0.67
181	Q	Q	2.15	6.97	-4.81
182	L	L	-2.34	10.26	-12.6
183	I	I	-3.3	-2.56	-0.74
184	R	R	-1.66	3.1	-4.76
185	Y	Y	-0.8	2.26	-3.07
186	A	A	-3.62	-1.09	-2.54
187	G	G	1.64	1.65	-0.01
188	Y	Y	-2.7	2.56	-5.26
189	Q	Q	3.68	2.56	1.12
190	M	M	5.39	11.09	-5.7
191	P	P	1.02	4.89	-3.88
192	D	D	2.67	7.83	-5.16
193	G	G	-1.16	-0.66	-0.5
194	T	T	9.66	0.57	9.09
195	I	I	6.69	-0.31	7.0
196	R	R	0.08	12.39	-12.31
197	G	G	-1.53	-1.92	0.39
198	D	D	-4.05	-6.51	2.47
199	A	A	0.96	-1.57	2.53
200	A	A	-1.3	-0.98	-0.32
201	T	T	-1.6	1.43	-3.03
202	L	L	0.53	5.66	-5.12
203	E	E	-0.44	0.42	-0.86
204	F	F	-1.99	-1.74	-0.25
205	T	T	-4.3	-0.15	-4.14
206	Q	Q	1.23	2.24	-1.01
207	L	L	-0.4	-0.07	-0.33
208	C	C	-0.67	-0.43	-0.24
209	I	I	-0.87	0.4	-1.27
210	D	D	-0.96	0.41	-1.37
211	L	L	-1.58	-1.11	-0.47
212	G	G	-1.97	2.13	-4.1
213	W	W	-2.09	2.67	-4.76
214	K	K	31.56	7.92	23.64
215	P	P	-1.64	3.63	-5.27
216	R	R	9.57	12.96	-3.38
217	Y	Y	-1.21	3.7	-4.9
218	G	G	0.51	5.25	-4.74
219	R	R	1.95	1.63	0.32
220	F	F	-1.5	-1.1	-0.4
221	D	D	0.98	-0.71	1.68
222	V	V	-2.43	0.18	-2.61
223	L	L	-2.41	-0.14	-2.27
224	P	P	-5.72	-4.18	-1.54
225	L	L	-4.49	33.23	-37.73
226	V	V	-3.9	-4.02	0.12
227	L	L	-6.72	4.01	-10.73
228	Q	Q	-0.78	6.65	-7.43
229	A	A	-1.67	0.64	-2.31
230	D	D	0.43	5.42	-4.99
231	G	G	-0.52	2.75	-3.27
232	Q	Q	2.62	8.23	-5.6
233	D	D	-0.41	1.08	-1.5
234	P	P	-5.42	0.33	-5.75
235	E	E	-1.88	1.0	-2.88
236	V	V	12.58	-1.12	13.71
237	F	F	-4.9	-2.08	-2.81
238	E	E	5.78	0.42	5.36
239	I	I	-1.35	7.09	-8.44
240	P	P	-2.04	3.11	-5.15
241	P	P	-0.23	0.19	-0.42
242	D	D	0.11	2.35	-2.24
243	L	L	-2.79	-1.39	-1.4
244	V	V	6.63	1.88	4.75
245	L	L	-2.53	-1.51	-1.02
246	E	E	-0.32	-0.98	0.67
247	V	V	-5.22	-4.71	-0.51
248	T	T	0.38	3.02	-2.65
249	M	M	2.53	2.84	-0.31
250	E	E	-0.74	0.85	-1.59
251	H	H	0.92	-0.98	1.91
252	P	P	0.17	-0.17	0.34
253	K	K	1.86	4.66	-2.81
254	Y	Y	1.05	9.2	-8.15
255	E	E	1.2	0.81	0.39
256	W	W	21.49	5.33	16.16
257	F	F	12.24	-0.5	12.75
258	Q	Q	1.23	1.63	-0.4
259	E	E	2.35	0.36	1.99
260	L	L	20.8	-0.31	21.12
261	G	G	2.31	-0.1	2.4
262	L	L	-1.53	-0.66	-0.87
263	K	K	-2.13	-2.5	0.37
264	W	W	-1.88	-1.41	-0.47
265	Y	Y	-1.01	-1.07	0.06
266	A	A	-2.92	-2.77	-0.15
267	L	L	1.79	5.62	-3.83
268	P	P	1.43	4.21	-2.77
269	A	A	-0.22	7.36	-7.58
270	V	V	1.83	1.15	0.68
271	A	A	-1.67	-0.78	-0.9
272	N	N	0.23	4.63	-4.4
273	M	M	7.88	4.33	3.55
274	L	L	-3.61	2.49	-6.1
275	L	L	-5.39	-2.9	-2.49
276	E	E	1.57	2.86	-1.29
277	V	V	1.04	0.31	0.72
278	G	G	1.03	2.07	-1.04
279	G	G	-2.06	-0.49	-1.57
280	L	L	-4.49	-3.88	-0.61
281	E	E	-4.83	3.81	-8.64
282	F	F	-3.35	-0.23	-3.12
283	P	P	-3.35	1.67	-5.02
284	A	A	-1.12	1.31	-2.43
285	C	C	4.94	3.47	1.46
286	P	P	-3.23	-2.67	-0.56
287	F	F	-5.32	-3.13	-2.19
288	N	N	-2.31	2.37	-4.69
289	G	G	-2.87	-1.65	-1.22
290	W	W	-0.63	3.14	-3.77
291	Y	Y	-4.01	-2.57	-1.43
292	M	M	4.34	18.76	-14.42
293	G	G	0.81	1.57	-0.76
294	T	T	1.85	2.3	-0.45
295	E	E	3.64	0.27	3.37
296	I	I	5.15	-2.5	7.65
297	G	G	6.35	-0.79	7.14
298	V	V	28.75	3.48	25.27
299	R	R	25.74	7.9	17.84
300	D	D	15.49	0.95	14.54
301	F	F	52.02	-4.0	56.02
302	C	C	8.25	0.42	7.83
303	D	D	10.88	4.62	6.26
304	T	T	16.47	1.73	14.74
305	Q	Q	6.0	2.75	3.25
306	R	R	29.7	3.97	25.73
307	Y	Y	8.55	2.2	6.35
308	N	N	7.23	0.29	6.94
309	I	I	5.79	0.08	5.71
310	L	L	-0.74	1.46	-2.21
311	E	E	13.0	3.54	9.46
312	E	E	11.31	-0.06	11.38
313	V	V	13.51	2.13	11.38
314	G	G	6.74	-0.52	7.26
315	R	R	17.48	2.69	14.78
316	R	R	45.03	0.68	44.35
317	M	M	30.91	0.27	30.64
318	G	G	5.65	-1.45	7.1
319	L	L	14.82	-2.43	17.26
320	E	E	8.77	3.59	5.17
321	T	T	-0.21	0.62	-0.82
322	H	H	12.75	2.15	10.6
323	T	T	13.22	2.97	10.26
324	L	L	10.14	10.25	-0.11
325	A	A	2.01	1.26	0.74
326	S	S	5.87	0.01	5.86
327	L	L	0.62	3.37	-2.75
328	W	W	-0.34	-0.84	0.49
329	K	K	2.44	0.54	1.9
330	D	D	3.18	3.64	-0.45
331	R	R	45.7	2.77	42.93
332	A	A	5.33	-2.62	7.95
333	V	V	0.05	4.23	-4.18
334	T	T	1.67	5.97	-4.29
335	E	E	12.25	-2.01	14.26
336	I	I	-3.14	-0.73	-2.41
337	N	N	1.19	0.05	1.14
338	V	V	0.78	11.79	-11.01
339	A	A	-3.31	-1.74	-1.57
340	V	V	-2.25	-3.5	1.25
341	L	L	-0.54	2.07	-2.61
342	H	H	1.52	1.52	-0.0
343	S	S	-1.37	-1.99	0.62
344	F	F	-3.51	-2.19	-1.32
345	Q	Q	2.92	0.67	2.25
346	K	K	7.14	1.62	5.52
347	Q	Q	-0.7	0.48	-1.18
348	N	N	0.1	0.57	-0.48
349	V	V	-3.91	-2.71	-1.2
350	T	T	-0.15	-0.77	0.63
351	I	I	2.83	-1.08	3.91
352	M	M	4.19	1.93	2.27
353	D	D	2.41	-0.22	2.63
354	H	H	3.42	1.18	2.24
355	H	H	1.46	1.55	-0.09
356	T	T	-0.68	-0.06	-0.62
357	A	A	-1.15	-0.31	-0.84
358	S	S	1.29	-1.3	2.59
359	E	E	0.87	-0.8	1.67
360	S	S	-1.29	-1.5	0.21
361	F	F	0.28	-3.28	3.56
362	M	M	3.37	15.86	-12.48
363	K	K	2.47	0.54	1.93
364	H	H	3.07	-0.69	3.77
365	M	M	0.68	0.52	0.16
366	Q	Q	8.0	0.21	7.79
367	N	N	3.58	1.36	2.22
368	E	E	2.82	2.46	0.37
369	Y	Y	1.77	2.56	-0.79
370	R	R	1.45	2.86	-1.41
371	A	A	0.21	2.18	-1.96
372	R	R	18.17	5.07	13.1
373	-	G	-	-1.48	-
374	-	G	-	-0.14	-
375	-	C	-	8.47	-
376	-	P	-	1.14	-
377	-	A	-	0.93	-
378	-	D	-	-4.11	-
379	-	W	-	0.3	-
380	-	I	-	13.68	-
381	-	W	-	0.75	-
382	L	L	19.66	-5.13	24.78
383	V	V	10.09	-1.73	11.82
384	P	P	2.68	-2.36	5.04
385	P	P	1.83	-2.43	4.26
386	V	V	2.21	2.27	-0.07
387	S	S	3.58	-0.07	3.65
388	G	G	1.07	1.92	-0.86
389	S	S	1.2	2.19	-0.99
390	I	I	-0.1	5.2	-5.3
391	T	T	-0.99	13.43	-14.42
392	P	P	-1.87	1.61	-3.48
393	V	V	-1.18	11.47	-12.65
394	F	F	2.7	0.64	2.07
395	H	H	5.12	4.42	0.7
396	Q	Q	3.97	1.89	2.08
397	E	E	2.87	-0.86	3.73
398	M	M	8.43	0.88	7.54
399	L	L	2.43	7.38	-4.94
400	N	N	3.64	0.74	2.9
401	Y	Y	0.25	0.29	-0.04
402	V	V	2.41	-1.42	3.83
403	L	L	-2.16	1.49	-3.66
404	S	S	4.74	7.03	-2.29
405	P	P	-1.33	-1.26	-0.06
406	F	F	-2.88	-2.87	-0.01
407	Y	Y	-3.94	-3.74	-0.2
408	Y	Y	-4.04	-2.2	-1.84
409	Y	Y	-0.2	-1.42	1.22
410	Q	Q	-1.36	0.58	-1.94
411	I	I	-0.21	17.68	-17.9
412	E	E	11.3	9.74	1.57
413	P	P	6.78	15.49	-8.71
414	W	W	-1.27	0.94	-2.21
415	K	K	3.05	-0.64	3.68
416	T	T	-1.02	-0.78	-0.24
417	H	H	-3.56	-0.33	-3.23
418	I	I	32.53	4.65	27.89
419	W	W	0.15	0.82	-0.67
420	Q	Q	7.56	8.6	-1.05
421	X	-	-11.21	-	-
422	X	X	6.56	-23.9	30.46
423	X	X	-3.83	-3.79	-0.04
424	-	Q	-	9.28	-
425	-	Y	-	2.23	-
426	-	V	-	-0.98	-
427	-	R	-	3.23	-
428	I	I	61.23	1.32	59.91
429	T	-	9.26	-	-
430	-	K	-	-1.06	-
431	-	N	-	-0.23	-
432	-	W	-	1.88	-
433	G	G	3.85	1.69	2.16
434	Y	-	10.58	-	-
435	-	S	-	4.04	-
436	-	G	-	-1.26	-
437	-	E	-	0.74	-
438	-	I	-	2.52	-
439	-	L	-	-0.28	-
440	-	H	-	1.88	-
441	-	D	-	-1.0	-
442	T	T	6.18	8.43	-2.25
443	-	L	-	6.57	-
444	-	H	-	2.5	-
445	-	H	-	7.31	-
446	-	K	-	0.44	-
447	-	A	-	1.87	-
448	T	T	1.86	8.12	-6.26
449	V	-	-2.44	-	-
450	-	S	-	8.28	-
451	D	D	22.79	7.32	15.47
452	-	F	-	16.96	-
453	-	T	-	34.82	-
454	-	C	-	13.06	-
455	-	K	-	15.44	-
456	-	S	-	18.53	-
457	-	K	-	8.8	-
458	-	S	-	17.71	-
459	-	C	-	10.32	-
460	-	L	-	7.81	-
461	-	G	-	2.49	-
462	-	S	-	3.34	-
463	I	I	2.12	0.64	1.48
464	-	M	-	6.09	-
465	-	N	-	0.84	-
466	-	P	-	0.27	-
467	-	K	-	0.56	-
468	S	S	3.0	-0.4	3.4
469	Q	-	1.8	-	-
470	W	-	2.36	-	-
471	H	-	3.59	-	-
472	-	L	-	5.13	-
473	-	T	-	1.41	-
474	R	R	1.64	7.32	-5.69
475	-	G	-	1.19	-
476	-	P	-	-0.06	-
477	-	R	-	23.03	-
478	-	D	-	5.49	-
479	K	K	-0.45	6.23	-6.69
480	-	P	-	0.34	-
481	-	T	-	24.23	-
482	-	P	-	4.33	-
483	-	L	-	10.62	-
484	E	E	5.87	3.33	2.53
485	H	-	5.63	-	-
486	F	-	1.62	-	-
487	E	E	6.9	3.99	2.91
488	-	L	-	2.02	-
489	-	L	-	7.28	-
490	-	P	-	1.73	-
491	-	H	-	3.36	-
492	A	A	-1.49	-1.82	0.33
493	-	I	-	9.99	-
494	-	E	-	3.87	-
495	F	F	2.0	-0.72	2.71
496	-	I	-	2.7	-
497	-	N	-	0.73	-
498	Q	Q	21.85	1.26	20.59
499	-	Y	-	0.22	-
500	-	Y	-	0.88	-
501	-	G	-	1.09	-
502	S	S	4.08	2.44	1.64
503	V	-	6.7	-	-
504	-	F	-	10.05	-
505	-	K	-	2.65	-
506	-	E	-	18.19	-
507	A	A	1.87	-0.15	2.01
508	Q	-	0.4	-	-
509	C	-	0.17	-	-
510	-	K	-	1.83	-
511	-	I	-	5.33	-
512	-	E	-	0.79	-
513	-	E	-	-1.08	-
514	-	H	-	-0.66	-
515	-	L	-	7.92	-
516	-	A	-	-1.08	-
517	-	R	-	3.36	-
518	-	L	-	2.28	-
519	-	E	-	-0.74	-
520	-	A	-	-0.37	-
521	-	V	-	6.1	-
522	T	T	0.67	-0.53	1.2
523	-	K	-	0.07	-
524	-	E	-	2.9	-
525	-	I	-	0.58	-
526	-	E	-	0.37	-
527	-	T	-	3.58	-
528	-	T	-	1.56	-
529	-	G	-	2.93	-
530	-	T	-	9.94	-
531	Y	Y	2.02	0.22	1.8
532	N	-	11.68	-	-
533	Q	Q	3.89	1.17	2.72
534	-	L	-	2.46	-
535	T	T	-0.01	0.39	-0.4
536	V	-	1.62	-	-
537	Q	-	5.82	-	-
538	L	L	12.97	5.14	7.83
539	D	D	3.06	4.79	-1.73
540	-	E	-	-1.66	-
541	-	L	-	-3.36	-
542	I	I	-3.61	3.5	-7.11
543	T	-	2.86	-	-
544	A	-	2.96	-	-
545	F	F	-2.08	-0.78	-1.3
546	L	-	19.38	-	-
547	K	-	-0.17	-	-
548	-	A	-	-2.97	-
549	T	T	4.77	-2.63	7.39
550	V	-	1.25	-	-
551	K	-	4.4	-	-
552	K	K	0.34	-2.77	3.11
553	-	M	-	0.43	-
554	-	A	-	-3.4	-
555	-	W	-	0.55	-
556	-	R	-	-2.34	-
557	N	N	2.98	-4.01	6.99
558	K	-	1.01	-	-
559	H	-	3.69	-	-
560	K	-	5.73	-	-
561	F	-	2.97	-	-
562	Y	-	15.63	-	-
563	P	-	8.62	-	-
564	A	A	-1.93	3.27	-5.2
565	F	-	-2.24	-	-
566	-	P	-	0.87	-
567	-	R	-	-0.41	-
568	-	C	-	-0.18	-
569	I	I	-0.71	-0.4	-0.31
570	H	-	-0.75	-	-
571	-	G	-	-1.12	-
572	-	R	-	-2.12	-
573	I	I	5.17	4.35	0.81
574	-	Q	-	0.75	-
575	-	W	-	3.27	-
576	-	S	-	-0.85	-
577	-	N	-	2.36	-
578	L	L	-1.25	-1.76	0.51
579	-	Q	-	0.07	-
580	-	V	-	1.61	-
581	-	F	-	2.42	-
582	-	D	-	-2.5	-
583	A	A	-2.41	-1.49	-0.92
584	R	R	13.63	1.15	12.48
585	L	-	1.34	-	-
586	M	-	4.87	-	-
587	N	N	-0.37	8.99	-9.36
588	-	C	-	3.31	-
589	-	S	-	-1.06	-
590	-	T	-	5.31	-
591	A	A	0.42	-0.92	1.34
592	H	-	10.24	-	-
593	P	-	1.75	-	-
594	-	Q	-	9.39	-
595	E	E	4.56	1.46	3.1
596	-	M	-	-1.06	-
597	F	F	5.1	1.17	3.93
598	-	Q	-	-0.44	-
599	-	H	-	1.43	-
600	-	I	-	-4.23	-
601	-	C	-	0.37	-
602	R	R	1.34	1.55	-0.21
603	M	-	10.28	-	-
604	-	H	-	3.41	-
605	-	I	-	-1.56	-
606	-	L	-	3.68	-
607	-	Y	-	-2.03	-
608	A	A	4.97	-2.79	7.76
609	M	-	9.12	-	-
610	K	-	8.97	-	-
611	D	-	4.37	-	-
612	-	T	-	-0.66	-
613	-	N	-	-0.31	-
614	-	N	-	3.26	-
615	G	G	0.68	-2.93	3.61
616	E	-	6.61	-	-
617	L	-	-5.74	-	-
618	V	-	-1.75	-	-
619	-	N	-	3.15	-
620	I	I	1.86	-0.87	2.73
621	W	-	0.23	-	-
622	D	-	0.9	-	-
623	-	R	-	-1.09	-
624	S	S	0.69	-1.87	2.56
625	V	-	1.93	-	-
626	H	-	4.8	-	-
627	P	-	1.6	-	-
628	C	-	0.3	-	-
629	Y	-	-0.51	-	-
630	-	A	-	-2.32	-
631	-	I	-	-5.08	-
632	T	T	0.81	5.9	-5.1
633	V	V	-0.42	-3.01	2.58
634	F	F	7.81	-0.41	8.21
635	H	-	-1.06	-	-
636	E	-	1.53	-	-
637	-	P	-	-1.35	-
638	Q	Q	2.48	2.51	-0.03
639	T	-	5.24	-	-
640	E	-	-0.14	-	-
641	T	-	-0.18	-	-
642	F	-	3.36	-	-
643	S	-	-1.92	-	-
644	S	-	-0.86	-	-
645	L	-	-0.02	-	-
646	W	-	3.01	-	-
647	-	R	-	-0.12	-
648	S	S	4.72	2.72	2.01
649	E	-	2.68	-	-
650	Y	-	-0.95	-	-
651	H	-	6.76	-	-
652	D	D	11.61	5.48	6.13
653	-	G	-	2.1	-
654	-	K	-	-0.68	-
655	-	H	-	5.03	-
656	D	D	3.49	-0.48	3.96
657	F	F	-0.0	-1.35	1.35
658	R	R	3.54	13.11	-9.57
659	-	L	-	-1.79	-
660	-	W	-	-1.08	-
661	-	N	-	0.77	-
662	-	S	-	1.31	-
663	Q	Q	6.16	4.27	1.9
664	F	-	-2.61	-	-
665	L	L	2.84	6.44	-3.6
666	H	-	3.58	-	-
667	I	I	3.27	0.79	2.47
668	-	R	-	2.91	-
669	Y	Y	-1.64	0.29	-1.93
670	S	-	-0.17	-	-
671	Q	-	0.91	-	-
672	D	-	2.16	-	-
673	V	-	-0.45	-	-
674	A	A	0.64	-2.62	3.26
675	C	-	11.67	-	-
676	Y	-	1.12	-	-
677	G	G	1.56	0.48	1.08
678	E	-	3.45	-	-
679	N	-	0.11	-	-
680	L	-	2.03	-	-
681	A	-	1.4	-	-
682	Y	Y	10.99	0.98	10.01
683	F	-	1.07	-	-
684	-	Q	-	4.67	-
685	-	M	-	6.63	-
686	P	P	-0.78	5.61	-6.4
687	K	-	-0.31	-	-
688	-	D	-	5.02	-
689	G	G	-1.67	0.94	-2.61
690	F	-	7.2	-	-
691	-	T	-	1.83	-
692	I	I	9.76	-0.91	10.67
693	-	R	-	-0.71	-
694	-	G	-	-2.19	-
695	-	D	-	-4.6	-
696	-	A	-	-1.28	-
697	-	A	-	-0.53	-
698	-	T	-	1.0	-
699	-	L	-	10.5	-
700	E	E	-0.24	0.03	-0.27
701	N	-	5.91	-	-
702	M	-	-1.06	-	-
703	F	F	2.66	-0.6	3.26
704	-	T	-	-1.14	-
705	-	Q	-	0.84	-
706	-	L	-	-0.27	-
707	-	C	-	-0.67	-
708	-	I	-	2.88	-
709	-	D	-	2.29	-
710	-	L	-	-0.48	-
711	-	G	-	-0.12	-
712	-	W	-	-2.32	-
713	-	K	-	6.06	-
714	-	P	-	2.7	-
715	-	R	-	7.85	-
716	-	Y	-	0.78	-
717	-	G	-	4.07	-
718	-	R	-	0.26	-
719	F	F	-2.63	-1.59	-1.04
720	-	D	-	-0.57	-
721	V	V	-1.52	1.57	-3.09
722	S	-	-1.28	-	-
723	-	L	-	-1.81	-
724	-	P	-	-4.18	-
725	-	L	-	-2.63	-
726	-	V	-	-3.56	-
727	-	L	-	-1.45	-
728	-	Q	-	3.58	-
729	A	A	0.2	-1.02	1.22
730	N	-	5.01	-	-
731	-	D	-	1.96	-
732	-	G	-	2.28	-
733	-	Q	-	6.29	-
734	-	D	-	2.94	-
735	P	P	-0.95	-3.34	2.39
736	W	-	16.17	-	-
737	-	E	-	0.72	-
738	V	V	1.88	0.61	1.27
739	S	-	2.13	-	-
740	F	F	-0.11	-1.71	1.61
741	-	E	-	0.77	-
742	-	I	-	3.29	-
743	-	P	-	1.14	-
744	-	P	-	1.11	-
745	-	D	-	1.36	-
746	-	L	-	-3.14	-
747	-	V	-	3.75	-
748	-	L	-	-2.14	-
749	-	E	-	-1.8	-
750	-	V	-	-5.61	-
751	T	T	2.65	-0.75	3.4
752	S	-	-0.87	-	-
753	-	M	-	2.69	-
754	-	E	-	2.37	-
755	-	H	-	-1.26	-
756	-	P	-	-0.72	-
757	-	K	-	1.0	-
758	-	Y	-	10.02	-
759	-	E	-	7.86	-
760	-	W	-	3.98	-
761	F	F	0.9	-0.73	1.63
762	D	-	10.15	-	-
763	-	Q	-	1.83	-
764	-	E	-	1.24	-
765	L	L	1.6	-3.09	4.69
766	N	-	1.26	-	-
767	-	G	-	-0.41	-
768	-	L	-	-4.57	-
769	-	K	-	-3.44	-
770	-	W	-	-2.5	-
771	-	Y	-	-0.27	-
772	-	A	-	-2.93	-
773	-	L	-	1.8	-
774	-	P	-	3.14	-
775	-	A	-	2.69	-
776	V	V	0.9	-0.45	1.35
777	A	A	3.0	-0.54	3.54
778	N	N	7.39	5.26	2.13
779	M	M	2.17	1.38	0.79
780	D	-	4.7	-	-
781	N	-	1.47	-	-
782	F	-	2.78	-	-
783	-	L	-	0.81	-
784	-	L	-	-3.94	-
785	-	E	-	0.96	-
786	-	V	-	0.98	-
787	-	G	-	1.31	-
788	-	G	-	-0.72	-
789	-	L	-	16.6	-
790	-	E	-	2.34	-
791	F	F	4.58	0.06	4.52
792	-	P	-	4.12	-
793	A	A	2.38	0.39	1.99
794	-	C	-	4.55	-
795	P	P	-1.64	0.91	-2.55
796	V	-	-2.42	-	-
797	F	F	-4.93	-4.74	-0.19
798	T	-	0.34	-	-
799	M	-	0.38	-	-
800	-	N	-	-1.34	-
801	G	G	-1.35	-1.94	0.6
802	K	-	4.33	-	-
803	Y	-	-0.15	-	-
804	-	W	-	3.07	-
805	Y	Y	7.48	-2.13	9.6
806	-	M	-	0.0	-
807	-	G	-	1.16	-
808	T	T	0.3	2.72	-2.42
809	Q	-	2.89	-	-
810	-	E	-	3.0	-
811	-	I	-	-1.44	-
812	G	G	4.6	-0.61	5.2
813	D	-	0.89	-	-
814	K	-	-1.23	-	-
815	V	V	-4.18	0.52	-4.7
816	-	R	-	4.16	-
817	-	D	-	2.31	-
818	-	F	-	-3.65	-
819	-	C	-	4.77	-
820	-	D	-	1.24	-
821	-	T	-	1.17	-
822	-	Q	-	3.96	-
823	-	R	-	3.91	-
824	-	Y	-	2.85	-
825	-	N	-	0.98	-
826	-	I	-	0.38	-
827	L	L	-2.07	13.67	-15.75
828	-	E	-	0.75	-
829	-	E	-	-1.0	-
830	-	V	-	-0.76	-
831	-	G	-	-1.01	-
832	-	R	-	11.84	-
833	-	R	-	-0.62	-
834	M	M	9.94	10.77	-0.83
835	P	-	-3.43	-	-
836	-	G	-	-1.81	-
837	L	L	-2.24	-2.58	0.34
838	-	E	-	3.69	-
839	-	T	-	3.19	-
840	-	H	-	2.04	-
841	-	T	-	1.6	-
842	-	L	-	7.99	-
843	A	A	-0.57	0.54	-1.11
844	-	S	-	-0.18	-
845	-	L	-	3.72	-
846	-	W	-	-2.33	-
847	-	K	-	-1.49	-
848	-	D	-	4.55	-
849	-	R	-	6.94	-
850	-	A	-	-2.33	-
851	-	V	-	-0.66	-
852	-	T	-	0.75	-
853	-	E	-	-1.46	-
854	I	I	2.42	-2.92	5.34
855	-	N	-	0.58	-
856	-	V	-	1.86	-
857	-	A	-	-2.3	-
858	-	V	-	-3.73	-
859	-	L	-	-1.78	-
860	-	H	-	1.06	-
861	-	S	-	-1.66	-
862	-	F	-	-3.85	-
863	Q	Q	25.66	20.06	5.6
864	-	K	-	0.09	-
865	-	Q	-	-2.06	-
866	-	N	-	0.39	-
867	V	V	-0.09	-3.1	3.01
868	-	T	-	0.27	-
869	-	I	-	0.02	-
870	-	M	-	3.6	-
871	-	D	-	-0.63	-
872	H	H	-1.02	1.12	-2.14
873	H	H	7.41	2.07	5.33
874	-	T	-	1.72	-
875	A	A	-2.01	-2.99	0.99
876	V	-	-1.41	-	-
877	-	S	-	-1.31	-
878	-	E	-	-1.23	-
879	-	S	-	12.6	-
880	-	F	-	-1.97	-
881	-	M	-	13.03	-
882	-	K	-	0.59	-
883	-	H	-	-1.07	-
884	-	M	-	13.58	-
885	-	Q	-	0.64	-
886	-	N	-	0.88	-
887	-	E	-	0.26	-
888	-	Y	-	2.76	-
889	-	R	-	5.92	-
890	-	A	-	2.21	-
891	-	R	-	3.31	-
892	-	G	-	0.55	-
893	-	G	-	-0.39	-
894	C	C	5.99	5.21	0.78
895	-	P	-	-1.17	-
896	-	A	-	1.36	-
897	D	D	1.54	-4.18	5.72
898	-	W	-	1.0	-
899	-	I	-	4.02	-
900	-	W	-	0.83	-
901	-	L	-	-4.87	-
902	-	V	-	2.19	-
903	-	P	-	-2.15	-
904	-	P	-	-1.13	-
905	-	V	-	1.17	-
906	-	S	-	-0.19	-
907	G	G	0.66	3.89	-3.23
908	-	S	-	0.46	-
909	-	I	-	5.36	-
910	-	T	-	16.54	-
911	-	P	-	0.99	-
912	-	V	-	16.8	-
913	F	F	2.55	-0.47	3.02
914	H	H	9.15	-0.27	9.42
915	V	-	3.11	-	-
916	G	-	0.01	-	-
917	R	-	1.9	-	-
918	-	Q	-	1.79	-
919	-	E	-	-1.12	-
920	M	M	10.87	2.58	8.3
921	L	L	-2.42	4.79	-7.2
922	N	N	2.06	1.21	0.86
923	E	-	6.09	-	-
924	-	Y	-	1.05	-
925	-	V	-	-0.99	-
926	L	L	3.37	1.83	1.54
927	Q	-	-0.31	-	-
928	Q	-	1.53	-	-
929	-	S	-	7.23	-
930	-	P	-	-1.64	-
931	-	F	-	-3.45	-
932	Y	Y	8.18	-3.1	11.28
933	C	-	0.7	-	-
934	D	-	0.78	-	-
935	-	Y	-	-3.99	-
936	-	Y	-	2.09	-
937	-	Q	-	2.38	-
938	-	I	-	2.11	-
939	E	E	2.01	6.27	-4.27
940	-	P	-	6.41	-
941	W	W	13.9	0.89	13.01
942	-	K	-	-0.12	-
943	-	T	-	6.07	-
944	-	H	-	0.41	-
945	-	I	-	2.98	-
946	-	W	-	9.21	-
947	Q	Q	16.25	11.91	4.34
948	G	-	4.49	-	-
949	-	X	-	-21.9	-
950	-	X	-	-4.6	-

Analysis of pair 1nocA_1qomB

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