Analysis of 1nqjB

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	-	-	0.98	0.98	0.98	0.98	-	0.24	0.27	-	-	-
000	-	-	0.74	0.74	0.72	0.73	0.01	0.01	0.02	009; 009; 001; 010; 008; 010; 001; 008; 002; 005	0.86; 0.86; 0.84; 0.84; 0.84; 0.84; 0.84; 0.84; 0.81; 0.81	0.88; 0.88; 0.83; 0.84; 0.81; 0.84; 0.83; 0.81; 0.84; 0.81
001	-	-	0.77	0.68	0.79	0.76	0.0	0.03	0.01	003; 003; 001; 001; 007; 007; 004; 002; 004; 010	0.88; 0.88; 0.85; 0.85; 0.84; 0.84; 0.81; 0.81; 0.81; 0.81	0.87; 0.87; 0.87; 0.87; 0.77; 0.77; 0.82; 0.82; 0.82; 0.79
002	-	-	0.98	0.98	0.98	0.98	-	0.16	0.19	001; 001; 007; 007; 008; 008; 006; 006; 004; 004	0.97; 0.97; 0.90; 0.90; 0.89; 0.89; 0.87; 0.87; 0.86; 0.86	0.97; 0.97; 0.91; 0.91; 0.89; 0.89; 0.88; 0.88; 0.87; 0.87
003	-	-	0.69	0.71	0.7	0.71	0.02	0.18	0.01	002; 002; 004; 004; 010; 010; 003; 001; 001; 003	0.90; 0.90; 0.88; 0.88; 0.85; 0.85; 0.82; 0.82; 0.82; 0.82	0.92; 0.92; 0.89; 0.89; 0.86; 0.86; 0.84; 0.82; 0.82; 0.84
004	-	-	0.79	0.8	0.82	0.82	0.05	0.03	0.03	006; 006; 002; 002; 001; 001; 009; 009; 008; 005	0.91; 0.91; 0.86; 0.86; 0.85; 0.85; 0.83; 0.83; 0.81; 0.81	0.90; 0.90; 0.89; 0.89; 0.84; 0.84; 0.84; 0.84; 0.72; 0.82
005	-	-	0.83	0.8	0.84	0.83	0.0	0.0	0.0	001; 001; 009; 004; 009; 004; 002; 002; 005; 005	0.92; 0.92; 0.92; 0.91; 0.91; 0.91; 0.88; 0.88; 0.82; 0.82	0.89; 0.89; 0.91; 0.91; 0.91; 0.91; 0.86; 0.86; 0.75; 0.75
006	-	-	0.39	0.38	0.37	0.34	0.0	0.01	0.04	003; 003; 005; 005; 006; 006; 004; 004; 008; 008	0.87; 0.87; 0.85; 0.85; 0.85; 0.85; 0.82; 0.82; 0.76; 0.76	0.82; 0.82; 0.80; 0.80; 0.79; 0.79; 0.82; 0.82; 0.67; 0.67
007	-	-	0.84	0.85	0.85	0.86	0.13	0.16	0.03	001; 001; 008; 002; 002; 008; 003; 003; 005; 007	0.90; 0.90; 0.86; 0.86; 0.86; 0.86; 0.83; 0.83; 0.81; 0.80	0.89; 0.89; 0.85; 0.86; 0.86; 0.85; 0.80; 0.80; 0.78; 0.79
008	-	-	0.94	0.89	0.94	0.89	0.0	0.01	0.01	001; 001; 003; 003; 010; 010; 007; 007; 008; 008	0.89; 0.89; 0.87; 0.87; 0.86; 0.86; 0.85; 0.85; 0.84; 0.84	0.85; 0.85; 0.82; 0.82; 0.86; 0.86; 0.76; 0.76; 0.83; 0.83
009	-	-	0.3	0.35	0.31	0.36	0.0	0.06	0.03	008; 008; 004; 004; 009; 009; 005; 005; 007; 007	0.86; 0.86; 0.84; 0.84; 0.84; 0.84; 0.83; 0.83; 0.82; 0.81	0.83; 0.83; 0.84; 0.84; 0.82; 0.82; 0.82; 0.82; 0.83; 0.83
010	-	-	0.92	0.91	0.93	0.91	0.0	0.01	0.01	001; 001; 005; 008; 008; 005; 004; 004; 006; 003	0.91; 0.91; 0.87; 0.87; 0.87; 0.87; 0.86; 0.86; 0.85; 0.85	0.88; 0.88; 0.88; 0.83; 0.83; 0.88; 0.88; 0.88; 0.87; 0.88
011	-	-	0.59	0.55	0.72	0.67	0.0	0.01	0.06	003; 003; 005; 005; 002; 002; 008; 008; 010; 007	0.87; 0.87; 0.86; 0.86; 0.85; 0.85; 0.84; 0.84; 0.81; 0.81	0.77; 0.77; 0.80; 0.80; 0.81; 0.81; 0.85; 0.85; 0.80; 0.79
012	-	-	0.82	0.82	0.71	0.73	0.0	0.03	0.01	002; 008; 002; 004; 008; 004; 006; 003; 003; 005	0.85; 0.85; 0.85; 0.84; 0.84; 0.84; 0.83; 0.83; 0.83; 0.83	0.84; 0.75; 0.83; 0.82; 0.75; 0.82; 0.81; 0.83; 0.83; 0.83
013	-	-	0.34	0.38	0.36	0.39	0.0	0.0	0.0	010; 010; 008; 008; 006; 006; 009; 009; 007; 007	0.86; 0.86; 0.85; 0.84; 0.83; 0.83; 0.79; 0.79; 0.78; 0.78	0.82; 0.82; 0.85; 0.85; 0.83; 0.83; 0.79; 0.79; 0.76; 0.76
014	-	-	0.45	0.38	0.48	0.44	0.0	0.01	0.01	001; 001; 005; 006; 005; 006; 009; 009; 004; 004	0.87; 0.87; 0.85; 0.85; 0.85; 0.85; 0.84; 0.84; 0.83; 0.83	0.86; 0.86; 0.83; 0.81; 0.83; 0.81; 0.83; 0.83; 0.83; 0.83

Aligned per-residue ΔΔG

aln_pos	aa1	aa2	E1	E2	dEdiff
1	-	E	-	7.26	-
2	-	K	-	57.87	-
3	-	L	-	18.63	-
4	-	K	-	7.01	-
5	-	E	-	-3.32	-
6	-	K	-	8.94	-
7	-	E	-	-3.67	-
8	-	N	-	0.88	-
9	-	N	-	-0.77	-
10	-	D	-	-5.1	-
11	-	S	-	2.25	-
12	-	S	-	-1.43	-
13	-	D	-	4.76	-
14	-	K	-	3.61	-
15	A	A	-0.81	-2.85	2.03
16	T	T	-1.16	-3.71	2.55
17	V	V	-0.18	1.04	-1.23
18	I	I	-1.27	1.07	-2.35
19	P	P	0.23	2.38	-2.15
20	N	N	4.57	3.21	1.36
21	F	F	-1.32	29.81	-31.12
22	N	N	-1.4	-1.39	-0.02
23	T	T	1.79	1.13	0.66
24	T	T	-1.01	-1.2	0.2
25	M	M	7.08	-3.19	10.27
26	Q	Q	1.56	17.8	-16.24
27	G	G	0.27	-1.6	1.88
28	S	S	-0.56	2.65	-3.21
29	L	L	-3.87	-1.53	-2.34
30	L	L	2.64	1.57	1.07
31	G	G	-1.3	-1.88	0.58
32	D	D	-0.23	2.19	-2.42
33	D	D	2.18	-6.08	8.26
34	S	S	-0.03	0.29	-0.32
35	R	R	4.28	0.46	3.82
36	D	D	-5.45	-9.98	4.53
37	Y	Y	-1.1	32.53	-33.64
38	Y	Y	-6.57	-5.94	-0.63
39	S	S	-2.89	-2.34	-0.55
40	F	F	-5.92	-6.17	0.26
41	E	E	3.13	0.64	2.5
42	V	V	-5.26	-3.83	-1.43
43	K	K	-0.41	1.41	-1.82
44	E	E	0.75	6.72	-5.97
45	E	E	-0.75	-0.38	-0.37
46	G	G	-1.26	-1.17	-0.09
47	E	E	0.46	1.51	-1.05
48	V	V	-3.63	0.0	-3.64
49	N	N	0.97	63.69	-62.72
50	I	I	-6.37	-3.22	-3.15
51	E	E	3.26	3.8	-0.54
52	L	L	-3.14	-3.18	0.03
53	D	D	3.76	2.32	1.44
54	K	K	-3.22	0.5	-3.71
55	K	K	4.54	19.61	-15.06
56	D	D	1.73	0.6	1.13
57	E	E	1.49	1.21	0.29
58	F	F	-2.37	-0.88	-1.5
59	G	G	0.96	0.9	0.05
60	V	V	-2.01	-0.48	-1.53
61	T	T	-3.57	-1.85	-1.71
62	W	W	-6.6	-6.57	-0.03
63	T	T	-2.61	-2.01	-0.6
64	L	L	-5.43	-5.26	-0.17
65	H	H	0.16	26.59	-26.43
66	P	P	-0.37	-1.63	1.26
67	E	E	-0.44	1.28	-1.72
68	S	S	14.04	37.7	-23.66
69	-	D	-	1.68	-
70	R	R	6.98	8.46	-1.48
71	I	I	2.11	0.61	1.5
72	T	T	-2.63	-2.04	-0.59
73	Y	Y	-2.65	-1.8	-0.86
74	G	G	-1.38	-0.01	-1.37
75	Q	Q	5.85	-0.17	6.02
76	V	V	0.98	-0.45	1.44
77	D	D	2.58	-0.81	3.39
78	G	G	-0.42	0.34	-0.76
79	N	N	2.96	3.79	-0.83
80	K	K	8.46	-0.13	8.59
81	V	V	-3.01	-1.96	-1.04
82	S	S	1.51	-0.9	2.41
83	N	N	-1.38	-0.83	-0.55
84	K	K	10.13	78.67	-68.55
85	V	V	-1.4	1.6	-3.0
86	K	K	-1.63	2.35	-3.98
87	L	L	-5.32	-1.42	-3.91
88	R	R	2.61	14.54	-11.93
89	P	P	-4.75	-3.61	-1.14
90	G	G	-1.81	-1.73	-0.08
91	K	K	-0.6	-0.67	0.07
92	Y	Y	-7.9	-5.61	-2.29
93	Y	Y	-1.21	-0.29	-0.92
94	L	L	-5.61	-1.2	-4.42
95	L	L	-3.51	-3.63	0.12
96	V	V	-6.1	-6.0	-0.1
97	Y	Y	-6.83	-5.68	-1.15
98	K	K	-0.53	0.37	-0.9
99	Y	Y	-2.96	2.87	-5.82
100	S	S	0.1	-0.47	0.56
101	G	G	-1.45	-2.03	0.57
102	S	S	0.42	0.35	0.07
103	G	G	-3.48	-3.98	0.5
104	N	N	1.08	-1.07	2.15
105	Y	Y	-7.68	-6.4	-1.28
106	E	E	-1.81	3.82	-5.63
107	L	L	-4.78	-4.8	0.02
108	R	R	0.24	3.06	-2.82
109	V	V	-4.44	8.64	-13.08
110	N	N	-2.92	2.01	-4.93
111	K	K	-3.06	23.31	-26.37
112	X	X	-3.18	-29.54	26.35
113	X	X	-6.73	-31.91	25.18
114	-	I	-	10.85	-
115	-	P	-	-2.35	-
116	-	G	-	-0.25	-
117	-	N	-	4.38	-
118	E	E	5.57	2.23	3.34
119	K	K	14.88	10.8	4.08
120	L	L	1.69	-1.11	2.8
121	K	K	4.29	26.68	-22.38
122	E	E	6.53	-4.9	11.44
123	K	K	-0.9	24.24	-25.15
124	E	E	-1.05	-5.06	4.01
125	N	N	-0.91	16.96	-17.87
126	N	N	0.47	-0.86	1.32
127	D	D	-0.06	-2.13	2.08
128	S	S	-1.09	7.42	-8.52
129	S	S	2.62	0.58	2.05
130	D	D	1.2	15.23	-14.03
131	K	K	5.54	39.1	-33.55
132	A	A	-0.4	-2.69	2.29
133	T	T	-0.74	-3.52	2.79
134	V	V	0.18	0.5	-0.32
135	I	I	-1.37	6.33	-7.69
136	P	P	-0.12	2.58	-2.69
137	N	N	2.89	-0.31	3.2
138	F	F	-0.7	-0.59	-0.12
139	N	N	-2.07	1.19	-3.26
140	T	T	1.0	0.09	0.92
141	T	T	-1.43	2.21	-3.65
142	M	M	-1.18	-3.64	2.46
143	Q	Q	3.66	14.7	-11.04
144	G	G	-0.3	-1.08	0.79
145	S	S	-1.6	0.31	-1.91
146	L	L	-4.94	-2.27	-2.66
147	L	L	1.9	1.94	-0.05
148	G	G	-1.94	-1.9	-0.04
149	D	D	1.78	4.46	-2.68
150	D	D	-5.59	-6.6	1.01
151	S	S	-0.66	0.52	-1.18
152	R	R	4.45	2.98	1.47
153	D	D	-7.91	-10.07	2.16
154	Y	Y	-0.86	6.79	-7.65
155	Y	Y	-6.39	-5.9	-0.49
156	S	S	-2.8	-2.89	0.09
157	F	F	-6.35	-6.42	0.07
158	E	E	3.31	1.87	1.43
159	V	V	-4.81	-3.83	-0.99
160	K	K	-1.62	8.5	-10.13
161	E	E	-0.32	1.72	-2.05
162	E	E	-3.27	12.07	-15.34
163	G	G	-1.46	-1.33	-0.13
164	E	E	1.38	4.55	-3.17
165	V	V	-2.62	1.48	-4.1
166	N	N	0.76	23.7	-22.93
167	I	I	-5.5	-6.59	1.09
168	E	E	2.37	-0.65	3.02
169	L	L	-3.28	-3.19	-0.09
170	D	D	-1.01	0.06	-1.07
171	K	K	-1.68	0.93	-2.61
172	K	K	1.82	3.22	-1.4
173	D	D	-0.69	0.18	-0.87
174	E	E	8.24	4.52	3.72
175	F	F	-1.65	-2.12	0.47
176	G	G	1.14	0.91	0.24
177	V	V	-1.8	-2.09	0.29
178	T	T	-3.75	-3.54	-0.21
179	W	W	-6.45	-6.31	-0.14
180	T	T	-3.39	-2.76	-0.62
181	L	L	-4.74	-3.13	-1.61
182	H	H	1.51	0.46	1.05
183	P	P	-2.71	-2.53	-0.18
184	E	E	0.33	0.19	0.14
185	S	S	0.56	11.26	-10.7
186	N	-	0.51	-	-
187	I	-	4.22	-	-
188	N	-	1.05	-	-
189	D	-	3.25	-	-
190	R	R	10.24	20.79	-10.55
191	I	I	-1.28	22.7	-23.98
192	T	T	-1.8	-1.48	-0.32
193	Y	Y	-3.09	-2.67	-0.42
194	G	G	-1.62	-0.3	-1.32
195	Q	Q	2.88	2.44	0.45
196	V	V	-1.2	-1.98	0.78
197	D	D	-1.03	-1.43	0.4
198	G	G	-0.26	-1.28	1.02
199	N	N	-0.8	-0.51	-0.29
200	K	K	4.86	4.42	0.44
201	V	V	-2.72	-3.03	0.32
202	S	S	0.97	-0.21	1.18
203	N	N	0.08	-2.01	2.09
204	K	K	28.21	30.0	-1.79
205	V	V	2.83	0.71	2.12
206	K	K	1.6	25.81	-24.22
207	L	L	-4.95	-1.63	-3.32
208	R	R	1.58	10.02	-8.44
209	P	P	-5.49	-2.77	-2.73
210	G	G	-1.73	-2.15	0.42
211	K	K	-0.58	-0.12	-0.46
212	Y	Y	-7.8	-5.38	-2.42
213	Y	Y	-2.58	-2.07	-0.5
214	L	L	-5.7	-5.22	-0.48
215	L	L	-3.62	-3.47	-0.15
216	V	V	-6.12	-5.47	-0.65
217	Y	Y	-6.12	-5.46	-0.66
218	K	K	-2.42	-1.94	-0.48
219	Y	Y	-1.98	-2.21	0.23
220	S	S	-0.82	1.23	-2.05
221	G	G	-1.72	-2.27	0.55
222	S	S	0.45	0.69	-0.23
223	G	G	-3.36	-3.95	0.59
224	N	N	-3.85	-0.77	-3.08
225	Y	Y	-7.1	-6.19	-0.91
226	E	E	-1.54	-2.86	1.32
227	L	L	-3.96	-4.91	0.95
228	R	R	-1.0	1.66	-2.66
229	V	V	-4.16	-3.37	-0.78
230	N	N	-2.33	5.72	-8.05
231	K	K	-3.25	8.16	-11.41
232	X	-	-3.73	-	-
233	X	X	-9.65	-26.71	17.06
234	X	X	-9.9	-29.4	19.5

Analysis of pair 1nqjB_1nqdA

Cluster metrics table

Aligned per-residue ΔΔG