Analysis of 1x0gD

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	-	-	0.91	0.91	0.91	0.91	0.32	0.32	0.49	-	-	-
000	-	-	0.89	0.89	0.79	0.79	0.32	0.33	0.5	001; 001; 005; 005; 002; 002; 004; 004; 009; 009	0.91; 0.91; 0.79; 0.79; 0.78; 0.78; 0.76; 0.76; 0.74; 0.74	0.91; 0.91; 0.79; 0.79; 0.78; 0.78; 0.76; 0.76; 0.74; 0.74
001	-	-	0.79	0.79	0.71	0.71	0.33	0.34	0.51	001; 001; 009; 009; 003; 003; 008; 008; 005; 005	0.85; 0.85; 0.84; 0.84; 0.80; 0.80; 0.69; 0.69; 0.67; 0.67	0.85; 0.85; 0.84; 0.84; 0.80; 0.80; 0.69; 0.69; 0.67; 0.67
002	-	-	0.62	0.62	0.63	0.63	0.34	0.36	0.52	008; 008; 001; 001; 002; 002; 004; 004; 003; 003	0.81; 0.81; 0.80; 0.80; 0.76; 0.76; 0.75; 0.75; 0.66; 0.66	0.81; 0.81; 0.80; 0.80; 0.76; 0.76; 0.75; 0.75; 0.66; 0.66
003	-	-	0.9	0.9	0.91	0.91	0.32	0.34	0.48	001; 001; 004; 004; 009; 009; 005; 005; 006; 006	0.92; 0.92; 0.88; 0.88; 0.85; 0.85; 0.78; 0.78; 0.70; 0.70	0.92; 0.92; 0.88; 0.88; 0.85; 0.85; 0.78; 0.78; 0.70; 0.70
004	-	-	0.89	0.89	0.88	0.88	0.36	0.37	0.48	001; 001; 005; 004; 005; 004; 009; 009; 006; 006	0.84; 0.84; 0.80; 0.80; 0.80; 0.80; 0.74; 0.74; 0.73; 0.73	0.84; 0.84; 0.80; 0.80; 0.80; 0.80; 0.74; 0.74; 0.73; 0.73
005	-	-	0.88	0.88	0.9	0.9	0.31	0.32	0.41	001; 001; 009; 009; 008; 002; 002; 008; 003; 003	0.85; 0.85; 0.83; 0.83; 0.78; 0.78; 0.78; 0.78; 0.68; 0.68	0.85; 0.85; 0.83; 0.83; 0.78; 0.78; 0.78; 0.78; 0.68; 0.68
006	-	-	0.85	0.85	0.88	0.88	0.35	0.37	0.44	001; 001; 008; 008; 003; 003; 009; 009; 004; 004	0.89; 0.89; 0.82; 0.81; 0.75; 0.75; 0.70; 0.70; 0.66; 0.66	0.89; 0.89; 0.82; 0.81; 0.75; 0.75; 0.70; 0.70; 0.66; 0.66
007	-	-	0.88	0.88	0.87	0.87	0.35	0.37	0.45	009; 009; 001; 001; 010; 010; 002; 002; 004; 003	0.84; 0.84; 0.81; 0.81; 0.77; 0.77; 0.73; 0.73; 0.68; 0.68	0.84; 0.84; 0.81; 0.81; 0.77; 0.77; 0.73; 0.73; 0.68; 0.68
008	-	-	0.72	0.72	0.74	0.74	0.17	0.16	0.25	008; 008; 003; 003; 001; 009; 001; 009; 005; 005	0.83; 0.83; 0.80; 0.80; 0.75; 0.75; 0.75; 0.74; 0.74; 0.74	0.83; 0.83; 0.80; 0.80; 0.75; 0.75; 0.75; 0.74; 0.74; 0.74
009	-	-	0.71	0.71	0.75	0.75	0.2	0.19	0.26	001; 001; 007; 007; 009; 009; 002; 004; 002; 004	0.83; 0.83; 0.79; 0.79; 0.75; 0.75; 0.69; 0.69; 0.69; 0.69	0.83; 0.83; 0.79; 0.79; 0.75; 0.75; 0.69; 0.69; 0.69; 0.69
010	-	-	0.78	0.78	0.67	0.67	0.36	0.38	0.43	005; 005; 002; 002; 001; 001; 004; 004; 003; 003	0.83; 0.83; 0.76; 0.76; 0.73; 0.73; 0.71; 0.71; 0.67; 0.67	0.83; 0.83; 0.76; 0.76; 0.73; 0.73; 0.71; 0.71; 0.67; 0.67
011	-	-	0.65	0.65	0.68	0.68	0.33	0.36	0.46	002; 002; 001; 001; 009; 004; 009; 004; 007; 007	0.74; 0.74; 0.71; 0.71; 0.69; 0.69; 0.69; 0.69; 0.68; 0.68	0.74; 0.74; 0.71; 0.71; 0.69; 0.69; 0.69; 0.69; 0.68; 0.68
012	-	-	0.75	0.75	0.84	0.84	0.33	0.34	0.48	001; 001; 004; 004; 003; 003; 005; 005; 002; 002	0.87; 0.87; 0.86; 0.86; 0.83; 0.83; 0.70; 0.70; 0.69; 0.69	0.87; 0.87; 0.86; 0.86; 0.83; 0.83; 0.70; 0.70; 0.69; 0.69
013	-	-	0.52	0.52	0.53	0.53	0.35	0.36	0.53	001; 005; 001; 005; 008; 008; 009; 009; 002; 002	0.73; 0.73; 0.73; 0.73; 0.72; 0.72; 0.70; 0.70; 0.67; 0.67	0.73; 0.73; 0.73; 0.73; 0.72; 0.72; 0.70; 0.70; 0.67; 0.67
014	-	-	0.76	0.76	0.75	0.75	0.29	0.3	0.46	001; 001; 006; 006; 005; 005; 002; 002; 003; 003	0.83; 0.83; 0.75; 0.75; 0.74; 0.74; 0.68; 0.68; 0.67; 0.66	0.83; 0.83; 0.75; 0.75; 0.74; 0.74; 0.68; 0.68; 0.67; 0.66
015	-	-	0.82	0.82	0.76	0.76	0.3	0.32	0.48	001; 001; 003; 003; 002; 002; 007; 007; 004; 004	0.87; 0.87; 0.83; 0.83; 0.80; 0.79; 0.79; 0.79; 0.75; 0.75	0.87; 0.87; 0.83; 0.83; 0.80; 0.79; 0.79; 0.79; 0.75; 0.75
016	-	-	0.69	0.69	0.72	0.72	0.28	0.31	0.48	005; 005; 001; 001; 006; 006; 003; 003; 007; 007	0.83; 0.83; 0.81; 0.81; 0.74; 0.74; 0.71; 0.71; 0.70; 0.70	0.83; 0.83; 0.81; 0.81; 0.74; 0.74; 0.71; 0.71; 0.70; 0.70
017	-	-	0.71	0.71	0.77	0.77	0.37	0.37	0.52	001; 001; 002; 002; 006; 006; 005; 005; 004; 004	0.75; 0.75; 0.74; 0.73; 0.73; 0.73; 0.70; 0.70; 0.68; 0.68	0.75; 0.75; 0.74; 0.73; 0.73; 0.73; 0.70; 0.70; 0.68; 0.68
018	-	-	0.88	0.88	0.89	0.89	0.34	0.35	0.48	009; 009; 003; 003; 001; 001; 002; 002; 004; 004	0.85; 0.85; 0.82; 0.82; 0.81; 0.81; 0.80; 0.80; 0.79; 0.79	0.85; 0.85; 0.82; 0.82; 0.81; 0.81; 0.80; 0.80; 0.79; 0.79
019	-	-	0.87	0.87	0.88	0.88	0.33	0.36	0.43	001; 001; 008; 008; 006; 006; 002; 002; 003; 003	0.84; 0.84; 0.81; 0.81; 0.77; 0.77; 0.75; 0.75; 0.73; 0.73	0.84; 0.84; 0.81; 0.81; 0.77; 0.77; 0.75; 0.75; 0.73; 0.73
020	-	-	0.81	0.81	0.81	0.81	0.33	0.34	0.45	001; 001; 004; 004; 005; 005; 003; 003; 009; 009	0.88; 0.88; 0.87; 0.87; 0.85; 0.85; 0.82; 0.82; 0.79; 0.79	0.88; 0.88; 0.87; 0.87; 0.85; 0.85; 0.82; 0.82; 0.79; 0.79

Aligned per-residue ΔΔG

aln_pos	aa1	aa2	E1	E2
1	M	M	34.52	34.52
2	V	V	5.86	5.86
3	E	E	-0.7	-0.7
4	L	L	15.92	15.92
5	T	T	3.58	3.58
6	P	P	4.43	4.43
7	A	A	0.63	0.63
8	A	A	-0.81	-0.81
9	I	I	8.09	8.09
10	Q	Q	16.94	16.94
11	E	E	21.41	21.41
12	L	L	3.55	3.55
13	E	E	27.9	27.9
14	R	R	64.81	64.81
15	L	L	16.15	16.15
16	Q	Q	22.66	22.66
17	I	I	23.01	23.01
18	L	L	0.8	0.8
19	R	R	2.61	2.61
20	I	I	-1.76	-1.76
21	Q	Q	5.95	5.95
22	V	V	-2.95	-2.95
23	Q	Q	0.96	0.96
24	P	P	-5.1	-5.1
25	S	S	1.14	1.14
26	E	E	4.78	4.78
27	C	C	4.81	4.81
28	G	G	-1.74	-1.74
29	D	D	3.7	3.7
30	W	W	-4.68	-4.68
31	R	R	11.2	11.2
32	Y	Y	-2.38	-2.38
33	D	D	2.97	2.97
34	L	L	-0.22	-0.22
35	A	A	-0.48	-0.48
36	L	L	-1.79	-1.79
37	V	V	-0.65	-0.65
38	A	A	1.04	1.04
39	E	E	16.05	16.05
40	P	P	12.2	12.2
41	K	K	11.46	11.46
42	P	P	-0.29	-0.29
43	T	T	3.04	3.04
44	D	D	-4.3	-4.3
45	L	L	6.55	6.55
46	L	L	2.34	2.34
47	T	T	5.65	5.65
48	Q	Q	28.12	28.12
49	S	S	14.43	14.43
50	Q	Q	21.51	21.51
51	G	G	2.59	2.59
52	W	W	4.25	4.25
53	T	T	1.95	1.95
54	I	I	2.0	2.0
55	A	A	-1.82	-1.82
56	I	I	3.46	3.46
57	A	A	-0.75	-0.75
58	A	A	10.05	10.05
59	E	E	-0.56	-0.56
60	A	A	-1.43	-1.43
61	A	A	-0.72	-0.72
62	E	E	4.55	4.55
63	L	L	-4.97	-4.97
64	L	L	-4.17	-4.17
65	R	R	34.69	34.69
66	G	G	0.26	0.26
67	L	L	0.88	0.88
68	R	R	18.56	18.56
69	V	V	11.25	11.25
70	D	D	3.13	3.13
71	Y	Y	0.21	0.21
72	I	I	5.03	5.03
73	E	E	3.37	3.37
74	D	D	-0.52	-0.52
75	L	L	2.85	2.85
76	M	M	5.03	5.03
77	G	G	-0.67	-0.67
78	G	G	4.2	4.2
79	A	A	0.38	0.38
80	F	F	-4.29	-4.29
81	R	R	4.53	4.53
82	F	F	-4.69	-4.69
83	H	H	3.4	3.4
84	N	N	4.68	4.68
85	P	P	7.98	7.98
86	N	N	-0.56	-0.56
87	A	A	-0.06	-0.06
88	S	S	1.3	1.3
89	Q	Q	17.27	17.27
90	T	T	0.65	0.65
91	C	C	2.01	2.01
92	G	G	2.75	2.75
93	C	C	4.72	4.72
94	G	G	-1.25	-1.25
95	M	M	2.58	2.58
96	A	A	-1.47	-1.47
97	F	F	-5.03	-5.03
98	R	R	13.01	13.01
99	V	V	-0.61	-0.61
100	S	S	1.95	1.95
101	R	R	5.96	5.96
102	S	S	10.63	10.63
103	X	X	-6.48	-6.48
104	X	X	-1.95	-1.95
105	M	M	13.14	13.14
106	V	V	9.57	9.57
107	E	E	8.05	8.05
108	L	L	5.34	5.34
109	T	T	3.87	3.87
110	P	P	4.5	4.5
111	A	A	0.13	0.13
112	A	A	-3.36	-3.36
113	I	I	16.87	16.87
114	Q	Q	30.6	30.6
115	E	E	1.57	1.57
116	L	L	-2.32	-2.32
117	E	E	20.98	20.98
118	R	R	17.33	17.33
119	L	L	6.23	6.23
120	Q	Q	28.04	28.04
121	T	T	28.16	28.16
122	H	H	15.75	15.75
123	G	G	11.58	11.58
124	V	V	18.68	18.68
125	R	R	32.8	32.8
126	R	R	23.48	23.48
127	G	G	5.83	5.83
128	Q	Q	13.21	13.21
129	A	A	1.62	1.62
130	A	A	7.66	7.66
131	I	I	4.57	4.57
132	L	L	-4.99	-4.99
133	R	R	8.22	8.22
134	I	I	-1.73	-1.73
135	Q	Q	1.01	1.01
136	V	V	5.57	5.57
137	Q	Q	7.04	7.04
138	P	P	-2.15	-2.15
139	S	S	0.46	0.46
140	E	E	24.07	24.07
141	C	C	1.09	1.09
142	G	G	-0.02	-0.02
143	D	D	1.96	1.96
144	W	W	-3.33	-3.33
145	R	R	4.33	4.33
146	Y	Y	-1.71	-1.71
147	D	D	4.21	4.21
148	L	L	15.1	15.1
149	A	A	-1.05	-1.05
150	L	L	1.85	1.85
151	V	V	11.89	11.89
152	A	A	1.44	1.44
153	E	E	5.17	5.17
154	P	P	-0.99	-0.99
155	K	K	5.2	5.2
156	P	P	11.07	11.07
157	T	T	6.65	6.65
158	D	D	-1.52	-1.52
159	L	L	1.92	1.92
160	L	L	1.06	1.06
161	T	T	2.29	2.29
162	Q	Q	7.06	7.06
163	S	S	0.19	0.19
164	Q	Q	9.2	9.2
165	G	G	0.77	0.77
166	W	W	7.62	7.62
167	T	T	-0.9	-0.9
168	I	I	-5.48	-5.48
169	A	A	-3.12	-3.12
170	I	I	4.13	4.13
171	A	A	0.15	0.15
172	A	A	0.95	0.95
173	E	E	13.3	13.3
174	A	A	-1.28	-1.28
175	A	A	0.2	0.2
176	E	E	2.01	2.01
177	L	L	2.55	2.55
178	L	L	-2.51	-2.51
179	R	R	1.92	1.92
180	G	G	0.72	0.72
181	L	L	-4.32	-4.32
182	R	R	6.58	6.58
183	V	V	-4.5	-4.5
184	D	D	1.79	1.79
185	Y	Y	-2.5	-2.5
186	I	I	3.73	3.73
187	E	E	1.99	1.99
188	D	D	1.87	1.87
189	L	L	9.64	9.64
190	M	M	-1.44	-1.44
191	G	G	1.34	1.34
192	G	G	3.74	3.74
193	A	A	-0.05	-0.05
194	F	F	-2.23	-2.23
195	R	R	7.16	7.16
196	F	F	3.46	3.46
197	H	H	0.47	0.47
198	N	N	13.58	13.58
199	P	P	24.73	24.73
200	N	N	3.94	3.94
201	A	A	1.22	1.22
202	S	S	39.24	39.24
203	Q	Q	10.61	10.61
204	T	T	14.63	14.63
205	C	C	14.24	14.24
206	G	G	0.16	0.16
207	C	C	3.15	3.15
208	G	G	-0.14	-0.14
209	M	M	8.54	8.54
210	A	A	0.44	0.44
211	F	F	3.87	3.87
212	R	R	76.92	76.92
213	V	V	10.32	10.32
214	S	S	55.55	55.55
215	M	M	10.11	10.11
216	V	V	12.64	12.64
217	E	E	9.68	9.68
218	L	L	-0.88	-0.88
219	T	T	-0.0	-0.0
220	P	P	-0.69	-0.69
221	A	A	1.77	1.77
222	A	A	-3.24	-3.24
223	I	I	-1.14	-1.14
224	Q	Q	3.76	3.76
225	E	E	-0.94	-0.94
226	L	L	-5.61	-5.61
227	E	E	8.86	8.86
228	R	R	17.21	17.21
229	L	L	6.97	6.97
230	Q	Q	14.7	14.7
231	T	T	37.36	37.36
232	H	H	1.74	1.74
233	G	G	7.58	7.58
234	V	V	19.85	19.85
235	R	R	17.1	17.1
236	R	R	26.89	26.89
237	G	G	0.62	0.62
238	Q	Q	20.33	20.33
239	A	A	1.8	1.8
240	A	A	-0.58	-0.58
241	I	I	3.26	3.26
242	L	L	-6.15	-6.15
243	R	R	0.88	0.88
244	I	I	0.21	0.21
245	Q	Q	1.22	1.22
246	V	V	-3.6	-3.6
247	Q	Q	15.92	15.92
248	P	P	-2.59	-2.59
249	S	S	1.11	1.11
250	E	E	3.58	3.58
251	C	C	4.87	4.87
252	G	G	2.64	2.64
253	D	D	0.84	0.84
254	W	W	-4.11	-4.11
255	R	R	17.58	17.58
256	Y	Y	-4.41	-4.41
257	D	D	1.32	1.32
258	L	L	2.81	2.81
259	A	A	-0.92	-0.92
260	L	L	-1.74	-1.74
261	V	V	0.72	0.72
262	A	A	-0.03	-0.03
263	E	E	3.7	3.7
264	P	P	6.55	6.55
265	K	K	9.14	9.14
266	P	P	21.24	21.24
267	T	T	5.79	5.79
268	D	D	-5.96	-5.96
269	L	L	-0.59	-0.59
270	L	L	-0.62	-0.62
271	T	T	9.25	9.25
272	Q	Q	15.92	15.92
273	S	S	3.96	3.96
274	Q	Q	9.57	9.57
275	G	G	-0.7	-0.7
276	W	W	-1.7	-1.7
277	T	T	3.97	3.97
278	I	I	4.3	4.3
279	A	A	-2.52	-2.52
280	I	I	-1.64	-1.64
281	A	A	-2.15	-2.15
282	A	A	-1.11	-1.11
283	E	E	9.14	9.14
284	A	A	-1.49	-1.49
285	A	A	-0.66	-0.66
286	E	E	32.14	32.14
287	L	L	-4.15	-4.15
288	L	L	-4.25	-4.25
289	R	R	7.53	7.53
290	G	G	1.48	1.48
291	L	L	2.56	2.56
292	R	R	7.87	7.87
293	V	V	-3.79	-3.79
294	D	D	2.23	2.23
295	Y	Y	-1.38	-1.38
296	I	I	1.55	1.55
297	E	E	0.53	0.53
298	D	D	1.08	1.08
299	L	L	3.99	3.99
300	M	M	3.76	3.76
301	G	G	2.14	2.14
302	G	G	-0.33	-0.33
303	A	A	0.14	0.14
304	F	F	-4.46	-4.46
305	R	R	10.88	10.88
306	F	F	-5.25	-5.25
307	H	H	0.19	0.19
308	N	N	-0.7	-0.7
309	P	P	-2.46	-2.46
310	N	N	2.84	2.84
311	A	A	-0.99	-0.99
312	S	S	1.89	1.89
313	Q	Q	17.01	17.01
314	T	T	13.3	13.3
315	C	C	1.26	1.26
316	G	G	2.12	2.12
317	C	C	3.8	3.8
318	G	G	-2.01	-2.01
319	M	M	0.12	0.12
320	A	A	-1.55	-1.55
321	F	F	-3.1	-3.1
322	R	R	23.06	23.06
323	V	V	7.46	7.46
324	S	S	1.78	1.78
325	R	R	8.05	8.05
326	X	X	-5.9	-5.9
327	X	X	0.05	0.05
328	M	M	3.81	3.81
329	V	V	-1.85	-1.85
330	E	E	-0.62	-0.62
331	L	L	-2.43	-2.43
332	T	T	3.91	3.91
333	P	P	0.29	0.29
334	A	A	-0.96	-0.96
335	A	A	-1.65	-1.65
336	I	I	9.38	9.38
337	Q	Q	4.09	4.09
338	E	E	1.09	1.09
339	L	L	-0.78	-0.78
340	E	E	5.19	5.19
341	R	R	4.51	4.51
342	L	L	2.87	2.87
343	Q	Q	4.98	4.98
344	T	T	-0.17	-0.17
345	H	H	9.31	9.31
346	A	A	2.9	2.9
347	A	A	4.21	4.21
348	I	I	36.35	36.35
349	L	L	-1.15	-1.15
350	R	R	2.22	2.22
351	I	I	3.45	3.45
352	Q	Q	6.58	6.58
353	V	V	-2.15	-2.15
354	Q	Q	3.35	3.35
355	P	P	16.22	16.22
356	S	S	3.8	3.8
357	E	E	16.45	16.45
358	C	C	0.29	0.29
359	G	G	-0.62	-0.62
360	D	D	3.62	3.62
361	W	W	-0.34	-0.34
362	R	R	10.69	10.69
363	Y	Y	-2.96	-2.96
364	D	D	1.17	1.17
365	L	L	-2.34	-2.34
366	A	A	-0.92	-0.92
367	L	L	-1.0	-1.0
368	V	V	1.78	1.78
369	A	A	3.91	3.91
370	E	E	26.08	26.08
371	P	P	8.86	8.86
372	K	K	21.12	21.12
373	P	P	0.8	0.8
374	T	T	0.82	0.82
375	D	D	-1.07	-1.07
376	L	L	14.35	14.35
377	L	L	-1.3	-1.3
378	T	T	9.5	9.5
379	Q	Q	14.92	14.92
380	S	S	5.58	5.58
381	Q	Q	6.94	6.94
382	G	G	1.65	1.65
383	W	W	4.1	4.1
384	T	T	-2.23	-2.23
385	I	I	-2.78	-2.78
386	A	A	-2.57	-2.57
387	I	I	1.01	1.01
388	A	A	-2.36	-2.36
389	A	A	0.24	0.24
390	E	E	16.67	16.67
391	A	A	-0.77	-0.77
392	A	A	-1.06	-1.06
393	E	E	2.92	2.92
394	L	L	3.54	3.54
395	L	L	0.59	0.59
396	R	R	6.41	6.41
397	G	G	2.07	2.07
398	L	L	-3.22	-3.22
399	R	R	5.59	5.59
400	V	V	-0.42	-0.42
401	D	D	-0.17	-0.17
402	Y	Y	-1.67	-1.67
403	I	I	4.0	4.0
404	E	E	15.5	15.5
405	D	D	4.72	4.72
406	L	L	-0.42	-0.42
407	M	M	4.84	4.84
408	G	G	-1.3	-1.3
409	G	G	2.37	2.37
410	A	A	-2.74	-2.74
411	F	F	-3.97	-3.97
412	R	R	7.4	7.4
413	F	F	1.66	1.66
414	H	H	1.98	1.98
415	N	N	-0.22	-0.22
416	P	P	3.83	3.83
417	N	N	4.59	4.59
418	A	A	1.12	1.12
419	S	S	27.48	27.48
420	Q	Q	3.64	3.64
421	T	T	11.98	11.98
422	C	C	2.01	2.01
423	G	G	-1.05	-1.05
424	C	C	3.83	3.83
425	G	G	11.96	11.96
426	M	M	18.66	18.66
427	A	A	0.83	0.83
428	F	F	3.72	3.72
429	R	R	12.65	12.65
430	V	V	2.32	2.32
431	S	S	3.66	3.66

Analysis of pair 1x0gD_1x0gA

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