Analysis of 2h44A

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	-	-	0.94	0.96	0.94	0.96	0.44	0.43	0.45	-	-	-
000	-	-	0.94	0.96	0.94	0.96	0.01	0.0	0.01	002; 002; 003; 003; 008; 008; 009; 001; 001; 009	0.85; 0.85; 0.84; 0.84; 0.82; 0.82; 0.81; 0.81; 0.81; 0.81	0.88; 0.88; 0.86; 0.86; 0.88; 0.88; 0.85; 0.84; 0.84; 0.85
001	-	-	0.94	0.96	0.94	0.96	0.26	0.24	0.24	001; 001; 004; 003; 004; 003; 002; 008; 002; 008	0.94; 0.94; 0.86; 0.86; 0.86; 0.86; 0.84; 0.84; 0.84; 0.84	0.96; 0.96; 0.88; 0.88; 0.88; 0.88; 0.86; 0.90; 0.86; 0.90
002	-	-	0.94	0.96	0.94	0.96	0.0	0.0	0.0	001; 001; 003; 003; 010; 002; 009; 002; 010; 009	0.84; 0.84; 0.83; 0.83; 0.81; 0.81; 0.81; 0.81; 0.81; 0.81	0.86; 0.86; 0.84; 0.84; 0.87; 0.83; 0.87; 0.83; 0.87; 0.87
003	-	-	0.94	0.96	0.94	0.96	0.0	0.0	0.0	003; 003; 005; 005; 004; 004; 001; 001; 002; 002	0.88; 0.88; 0.87; 0.87; 0.86; 0.86; 0.86; 0.86; 0.83; 0.83	0.90; 0.90; 0.89; 0.89; 0.87; 0.87; 0.87; 0.87; 0.85; 0.85
004	-	-	0.94	0.96	0.94	0.96	0.05	0.05	0.04	001; 001; 002; 002; 005; 003; 005; 003; 004; 004	0.92; 0.92; 0.88; 0.88; 0.84; 0.84; 0.84; 0.84; 0.64; 0.64	0.93; 0.93; 0.89; 0.89; 0.85; 0.85; 0.85; 0.85; 0.63; 0.63
005	-	-	0.94	0.96	0.94	0.96	0.1	0.09	0.1	002; 002; 006; 006; 007; 007; 009; 009; 001; 001	0.88; 0.88; 0.85; 0.85; 0.80; 0.80; 0.78; 0.78; 0.76; 0.76	0.90; 0.90; 0.86; 0.86; 0.82; 0.82; 0.81; 0.81; 0.77; 0.77
006	-	-	0.94	0.96	0.94	0.96	0.01	0.01	0.01	004; 004; 002; 002; 001; 001; 010; 009; 010; 009	0.88; 0.88; 0.83; 0.83; 0.82; 0.82; 0.80; 0.80; 0.80; 0.79	0.89; 0.89; 0.85; 0.85; 0.84; 0.84; 0.83; 0.85; 0.83; 0.84
007	-	-	0.94	0.96	0.94	0.96	0.01	0.01	0.01	002; 002; 003; 003; 006; 001; 001; 006; 009; 009	0.86; 0.86; 0.85; 0.85; 0.83; 0.83; 0.83; 0.83; 0.82; 0.82	0.88; 0.88; 0.86; 0.86; 0.84; 0.85; 0.85; 0.84; 0.87; 0.87
008	-	-	0.94	0.96	0.94	0.96	0.04	0.03	0.04	001; 001; 002; 002; 005; 005; 003; 003; 008; 008	0.88; 0.88; 0.87; 0.87; 0.85; 0.85; 0.81; 0.81; 0.79; 0.79	0.90; 0.90; 0.89; 0.89; 0.86; 0.86; 0.83; 0.83; 0.86; 0.86
009	-	-	0.94	0.96	0.94	0.96	0.01	0.01	0.01	002; 002; 004; 004; 010; 010; 001; 001; 003; 003	0.88; 0.88; 0.87; 0.87; 0.84; 0.84; 0.82; 0.82; 0.81; 0.81	0.90; 0.90; 0.89; 0.89; 0.90; 0.90; 0.83; 0.83; 0.82; 0.82
010	-	-	0.94	0.96	0.94	0.96	0.0	0.0	0.0	001; 001; 005; 005; 009; 009; 008; 008; 003; 003	0.82; 0.82; 0.81; 0.81; 0.80; 0.80; 0.79; 0.79; 0.63; 0.63	0.84; 0.84; 0.86; 0.86; 0.85; 0.85; 0.84; 0.84; 0.63; 0.63
011	-	-	0.94	0.96	0.94	0.96	0.01	0.01	0.01	002; 002; 004; 001; 008; 008; 001; 004; 009; 009	0.84; 0.84; 0.81; 0.81; 0.81; 0.81; 0.81; 0.81; 0.70; 0.70	0.87; 0.87; 0.82; 0.83; 0.86; 0.86; 0.83; 0.82; 0.75; 0.75
012	-	-	0.94	0.96	0.94	0.96	0.01	0.01	0.01	003; 003; 002; 001; 002; 001; 009; 009; 010; 010	0.86; 0.86; 0.84; 0.84; 0.84; 0.84; 0.82; 0.82; 0.75; 0.75	0.88; 0.88; 0.86; 0.85; 0.86; 0.85; 0.88; 0.88; 0.80; 0.80
013	-	-	0.94	0.96	0.94	0.96	0.1	0.09	0.1	006; 006; 005; 005; 002; 002; 001; 003; 001; 003	0.86; 0.86; 0.84; 0.84; 0.83; 0.83; 0.79; 0.79; 0.79; 0.79	0.88; 0.88; 0.86; 0.86; 0.85; 0.85; 0.80; 0.80; 0.80; 0.80
014	-	-	0.94	0.96	0.94	0.96	0.01	0.01	0.01	001; 001; 008; 008; 002; 002; 003; 003; 004; 004	0.92; 0.92; 0.89; 0.89; 0.88; 0.88; 0.85; 0.85; 0.83; 0.83	0.93; 0.93; 0.91; 0.91; 0.90; 0.90; 0.87; 0.87; 0.85; 0.85
015	-	-	0.94	0.96	0.94	0.96	0.0	0.0	0.0	006; 006; 001; 003; 003; 007; 001; 007; 009; 009	0.85; 0.85; 0.84; 0.84; 0.84; 0.84; 0.84; 0.84; 0.82; 0.82	0.87; 0.87; 0.86; 0.88; 0.88; 0.85; 0.86; 0.85; 0.87; 0.87
016	-	-	0.94	0.96	0.94	0.96	0.01	0.01	0.02	002; 002; 003; 001; 003; 001; 007; 007; 005; 005	0.87; 0.87; 0.83; 0.83; 0.83; 0.83; 0.81; 0.81; 0.80; 0.80	0.88; 0.88; 0.85; 0.85; 0.85; 0.85; 0.86; 0.86; 0.81; 0.81
017	-	-	0.94	0.96	0.94	0.96	0.0	0.0	0.0	004; 004; 006; 002; 006; 002; 001; 001; 005; 005	0.87; 0.87; 0.86; 0.86; 0.86; 0.86; 0.83; 0.83; 0.81; 0.81	0.88; 0.88; 0.88; 0.87; 0.88; 0.87; 0.85; 0.85; 0.82; 0.82
018	-	-	0.94	0.96	0.94	0.96	0.01	0.01	0.01	003; 003; 001; 001; 004; 004; 009; 009; 002; 002	0.90; 0.90; 0.87; 0.87; 0.78; 0.78; 0.77; 0.77; 0.75; 0.75	0.92; 0.92; 0.88; 0.88; 0.79; 0.79; 0.82; 0.82; 0.77; 0.77
019	-	-	0.94	0.96	0.94	0.96	0.0	0.0	0.01	003; 003; 001; 001; 009; 009; 004; 004; 010; 010	0.86; 0.86; 0.84; 0.84; 0.82; 0.82; 0.80; 0.80; 0.72; 0.72	0.88; 0.88; 0.86; 0.86; 0.87; 0.87; 0.81; 0.81; 0.75; 0.75

Aligned per-residue ΔΔG

aln_pos	aa1	aa2	E1	E2	dEdiff
1	E	E	8.83	13.71	-4.88
2	E	E	2.35	0.71	1.64
3	T	T	5.02	2.79	2.23
4	R	R	6.71	12.67	-5.96
5	E	E	3.68	-1.81	5.49
6	L	L	-1.37	-1.98	0.61
7	Q	Q	0.04	0.1	-0.05
8	S	S	-0.35	0.1	-0.45
9	L	L	-4.98	-4.59	-0.39
10	A	A	-1.88	-1.87	-0.01
11	A	A	0.38	0.01	0.38
12	A	A	-1.11	-0.99	-0.12
13	V	V	0.79	3.97	-3.18
14	V	V	-2.28	-0.6	-1.68
15	P	P	-5.19	1.36	-6.55
16	S	S	-1.54	-1.62	0.08
17	A	A	-1.69	-1.33	-0.36
18	Q	Q	1.64	2.14	-0.5
19	T	T	0.81	0.49	0.32
20	L	L	-3.37	1.34	-4.71
21	K	K	-0.26	0.67	-0.93
22	I	I	-2.3	-2.73	0.43
23	T	T	2.96	3.08	-0.12
24	D	D	3.31	1.28	2.03
25	F	F	-3.12	-2.91	-0.22
26	S	S	0.05	0.69	-0.63
27	F	F	-2.94	-2.81	-0.13
28	S	S	2.34	0.78	1.55
29	D	D	-0.35	-0.8	0.45
30	F	F	7.37	3.44	3.93
31	E	E	3.82	2.67	1.15
32	L	L	-3.91	-4.53	0.61
33	S	S	-2.17	-1.91	-0.26
34	D	D	-2.34	-2.21	-0.13
35	L	L	0.92	-0.25	1.17
36	E	E	-3.92	-2.87	-1.04
37	T	T	-4.21	-3.66	-0.55
38	A	A	-2.4	-3.01	0.61
39	L	L	-5.59	-5.45	-0.14
40	C	C	-0.57	-0.72	0.15
41	T	T	-2.91	-2.44	-0.47
42	I	I	-4.1	-4.8	0.69
43	R	R	-3.92	-2.43	-1.49
44	M	M	-3.37	-4.2	0.83
45	F	F	-6.38	-5.22	-1.15
46	T	T	-0.03	-0.43	0.4
47	D	D	-1.25	-0.4	-0.85
48	L	L	-2.94	-3.21	0.26
49	N	N	-2.32	-2.18	-0.14
50	L	L	-5.4	-4.06	-1.35
51	V	V	-0.6	-0.91	0.31
52	Q	Q	2.6	2.89	-0.29
53	N	N	-0.04	-0.9	0.86
54	F	F	-4.04	-3.26	-0.78
55	Q	Q	1.29	10.45	-9.16
56	M	M	-1.76	-1.98	0.22
57	K	K	0.07	-0.95	1.03
58	H	H	-0.09	-0.2	0.1
59	E	E	-0.43	1.01	-1.44
60	V	V	-1.05	-2.21	1.16
61	L	L	-4.89	-4.41	-0.47
62	C	C	-2.19	-1.67	-0.53
63	R	R	-0.51	0.56	-1.07
64	W	W	-6.47	-6.52	0.05
65	I	I	-5.27	-5.24	-0.03
66	L	L	-2.77	-4.0	1.23
67	S	S	-0.44	-1.01	0.57
68	V	V	-4.13	-3.35	-0.79
69	K	K	0.21	-0.45	0.66
70	K	K	2.43	-0.16	2.6
71	N	N	0.52	-2.47	2.99
72	Y	Y	-1.3	-1.39	0.09
73	R	R	2.89	5.03	-2.14
74	K	K	0.62	2.83	-2.2
75	N	N	0.95	1.89	-0.94
76	V	V	-1.58	-2.51	0.94
77	A	A	-0.97	-1.09	0.13
78	Y	Y	0.26	-2.37	2.64
79	H	H	-0.1	2.15	-2.25
80	N	N	-1.97	-1.74	-0.23
81	W	W	-1.61	-1.99	0.38
82	R	R	-0.71	-0.38	-0.33
83	H	H	13.5	14.62	-1.12
84	A	A	-2.86	-2.55	-0.31
85	F	F	-4.96	-4.62	-0.34
86	N	N	-0.27	0.49	-0.76
87	T	T	-2.58	-2.66	0.08
88	A	A	-3.86	-3.72	-0.14
89	Q	Q	-1.68	-0.58	-1.1
90	C	C	0.24	0.19	0.05
91	M	M	-3.46	-3.39	-0.07
92	F	F	-5.55	-5.8	0.24
93	A	A	-4.34	-4.57	0.23
94	A	A	-3.4	0.08	-3.48
95	L	L	-5.73	-4.76	-0.97
96	K	K	-2.18	1.5	-3.68
97	A	A	0.26	2.26	-2.0
98	G	G	-0.31	-0.26	-0.04
99	K	K	5.48	0.82	4.65
100	I	I	-1.42	2.12	-3.54
101	Q	Q	-0.93	0.68	-1.61
102	N	N	1.19	2.81	-1.62
103	K	K	-2.93	-0.97	-1.96
104	L	L	-2.55	-1.24	-1.31
105	T	T	-0.24	1.76	-2.0
106	D	D	-2.03	-1.64	-0.39
107	L	L	-1.77	-3.01	1.25
108	E	E	-5.66	5.3	-10.96
109	I	I	-4.5	-4.77	0.27
110	L	L	-6.66	-5.13	-1.53
111	A	A	-3.85	-3.99	0.14
112	L	L	-4.75	-5.17	0.42
113	L	L	-4.75	-4.23	-0.52
114	I	I	-5.49	-5.51	0.03
115	A	A	-3.53	-3.4	-0.13
116	A	A	-2.04	-1.54	-0.5
117	L	L	-4.07	-3.39	-0.68
118	S	S	-0.38	-0.86	0.47
119	H	H	12.78	11.88	0.9
120	D	D	-14.89	-19.81	4.93
121	L	L	-2.47	-1.75	-0.72
122	D	D	2.31	-2.47	4.79
123	H	H	5.02	-1.29	6.31
124	R	R	3.63	4.89	-1.27
125	G	G	-3.43	-3.51	0.08
126	V	V	1.05	3.99	-2.94
127	N	N	-3.51	-1.89	-1.62
128	N	N	14.22	0.17	14.05
129	S	S	4.34	10.56	-6.22
130	Y	Y	-3.41	2.93	-6.34
131	I	I	-3.52	6.01	-9.53
132	Q	Q	-1.31	3.72	-5.04
133	R	R	1.61	14.34	-12.73
134	S	S	-1.49	-1.19	-0.3
135	E	E	-1.39	6.09	-7.49
136	H	H	5.79	50.64	-44.85
137	P	P	4.72	58.15	-53.43
138	L	L	7.84	13.17	-5.33
139	A	A	-1.01	5.97	-6.98
140	Q	Q	-0.69	0.72	-1.41
141	L	L	-0.44	2.87	-3.31
142	Y	Y	6.66	4.19	2.47
143	C	C	0.22	7.33	-7.11
144	H	H	3.68	5.67	-1.99
145	S	S	2.11	0.98	1.13
146	I	I	4.24	2.8	1.43
147	M	M	8.23	0.95	7.27
148	E	E	1.52	0.75	0.77
149	H	H	16.8	-0.28	17.08
150	H	H	2.45	-2.96	5.41
151	H	H	0.5	0.72	-0.22
152	F	F	-1.75	-3.49	1.74
153	D	D	-0.36	3.86	-4.22
154	Q	Q	-0.25	-1.33	1.08
155	C	C	-0.13	-0.01	-0.13
156	L	L	-1.31	-1.53	0.21
157	M	M	2.39	9.3	-6.91
158	I	I	-1.42	-2.99	1.57
159	L	L	-4.63	-4.14	-0.49
160	N	N	-1.59	-1.26	-0.33
161	S	S	0.33	-0.89	1.22
162	P	P	0.82	-1.46	2.28
163	G	G	-2.42	-1.2	-1.22
164	N	N	-1.02	-0.61	-0.41
165	Q	Q	1.49	2.19	-0.7
166	I	I	-3.68	-3.72	0.04
167	L	L	-4.79	-4.03	-0.76
168	S	S	-0.57	-0.37	-0.2
169	G	G	0.38	1.08	-0.7
170	L	L	-2.77	-2.04	-0.73
171	S	S	-2.56	-2.39	-0.17
172	I	I	2.85	3.05	-0.2
173	E	E	0.74	0.07	0.67
174	E	E	-3.81	-4.01	0.2
175	Y	Y	-1.49	-2.9	1.41
176	K	K	-0.96	0.11	-1.07
177	T	T	-0.86	-1.0	0.14
178	T	T	-3.01	-3.24	0.23
179	L	L	-2.53	0.56	-3.09
180	K	K	-0.18	0.7	-0.88
181	I	I	-2.1	-3.52	1.42
182	I	I	-6.86	-6.35	-0.51
183	K	K	-3.05	-3.03	-0.03
184	Q	Q	-0.98	1.51	-2.48
185	A	A	-3.05	-2.96	-0.09
186	I	I	-4.44	-2.83	-1.61
187	L	L	-0.33	-1.35	1.02
188	A	A	-1.79	-1.26	-0.53
189	T	T	-1.32	-1.88	0.56
190	D	D	0.01	-0.21	0.21
191	L	L	-1.65	-0.96	-0.69
192	A	A	2.52	-1.27	3.8
193	L	L	5.59	-0.24	5.82
194	Y	Y	-2.53	-1.23	-1.3
195	I	I	-1.0	3.59	-4.59
196	K	K	2.85	0.14	2.71
197	R	R	2.96	-0.99	3.95
198	R	R	-2.64	-1.68	-0.95
199	G	G	1.01	0.92	0.09
200	E	E	-2.48	-0.46	-2.03
201	F	F	3.65	2.46	1.19
202	F	F	-2.96	-0.59	-2.37
203	E	E	-0.98	-1.19	0.21
204	L	L	-4.02	-4.07	0.05
205	I	I	11.33	0.1	11.23
206	R	R	4.94	11.45	-6.52
207	K	K	1.69	3.47	-1.78
208	N	N	-0.76	3.57	-4.33
209	Q	Q	0.71	2.38	-1.67
210	F	F	-2.63	-0.72	-1.91
211	N	N	3.83	5.98	-2.15
212	L	L	2.68	-0.72	3.4
213	E	E	1.25	3.58	-2.32
214	D	D	-0.86	13.6	-14.46
215	P	P	0.87	5.88	-5.01
216	H	H	0.93	-0.04	0.97
217	Q	Q	-5.0	-2.16	-2.84
218	K	K	0.44	8.39	-7.95
219	E	E	-0.18	0.93	-1.11
220	L	L	-3.0	-2.42	-0.59
221	F	F	-4.18	-4.54	0.36
222	L	L	-2.02	-3.41	1.38
223	A	A	-1.76	-1.51	-0.25
224	M	M	4.47	5.29	-0.82
225	L	L	-5.28	-5.43	0.15
226	M	M	-4.24	-3.87	-0.37
227	T	T	-2.68	-2.46	-0.22
228	A	A	-4.25	-4.03	-0.22
229	C	C	-1.15	-1.17	0.02
230	D	D	-8.58	-9.55	0.97
231	L	L	-4.16	0.17	-4.33
232	S	S	-1.71	-1.43	-0.28
233	A	A	-0.26	0.61	-0.87
234	I	I	0.45	-2.49	2.94
235	T	T	-2.54	-2.4	-0.14
236	K	K	-2.68	-0.61	-2.07
237	P	P	-4.39	-2.28	-2.11
238	W	W	3.64	4.73	-1.1
239	P	P	5.95	4.24	1.71
240	I	I	-1.22	-1.51	0.29
241	Q	Q	10.11	2.48	7.63
242	Q	Q	2.58	-0.59	3.16
243	R	R	0.02	1.38	-1.36
244	I	-	2.41	-	-
245	-	L	-	-2.24	-
246	A	A	-4.04	-3.74	-0.3
247	E	E	0.4	0.82	-0.41
248	L	L	-1.79	-1.48	-0.31
249	V	V	-3.76	-4.6	0.85
250	A	A	-3.04	-2.09	-0.95
251	T	T	-0.32	3.87	-4.19
252	E	E	-2.62	-1.97	-0.65
253	F	F	-4.3	4.23	-8.53
254	F	F	-1.84	1.64	-3.47
255	D	D	-1.23	-1.31	0.08
256	Q	Q	-1.45	0.03	-1.48
257	G	G	-0.34	4.21	-4.56
258	D	-	-1.8	-	-
259	R	-	2.32	-	-
260	E	-	1.65	-	-
261	R	-	0.61	-	-
262	K	-	0.84	-	-
263	E	-	-1.29	-	-
264	L	-	0.51	-	-
265	N	-	2.06	-	-
266	I	-	0.09	-	-
267	E	-	5.42	-	-
268	P	-	-1.37	-	-
269	T	-	1.19	-	-
270	D	D	-1.33	16.05	-17.38
271	L	-	-2.75	-	-
272	M	-	-2.84	-	-
273	N	-	-1.93	-	-
274	R	R	11.51	15.45	-3.93
275	E	E	0.58	19.56	-18.98
276	K	K	-1.8	5.23	-7.03
277	K	K	11.97	3.4	8.57
278	N	N	2.32	21.15	-18.83
279	K	K	-3.38	4.54	-7.92
280	I	I	6.99	4.29	2.7
281	P	P	6.33	6.34	-0.0
282	S	S	-1.66	-0.23	-1.43
283	M	M	-1.46	-1.07	-0.4
284	Q	Q	-0.84	-2.83	1.99
285	V	V	-1.91	-1.06	-0.85
286	G	G	-0.9	-0.02	-0.88
287	F	F	-5.97	-0.45	-5.52
288	I	I	-4.39	-2.57	-1.82
289	D	D	-2.77	-0.98	-1.79
290	A	A	-2.18	-1.32	-0.86
291	I	I	-1.75	0.5	-2.25
292	C	C	2.44	2.87	-0.44
293	L	L	0.24	4.67	-4.43
294	Q	Q	0.48	0.84	-0.36
295	L	L	-3.27	-3.19	-0.07
296	Y	Y	-4.32	-5.38	1.06
297	E	E	-1.05	1.13	-2.18
298	A	A	4.31	-2.88	7.19
299	L	L	-4.21	-3.63	-0.57
300	T	T	0.2	0.28	-0.08
301	H	H	1.31	1.64	-0.34
302	V	V	-2.5	-2.33	-0.16
303	S	S	1.53	0.43	1.1
304	E	E	2.04	5.47	-3.44
305	D	D	1.86	3.51	-1.66
306	C	C	1.46	-0.88	2.35
307	F	F	6.02	6.53	-0.52
308	P	P	1.64	3.58	-1.93
309	L	L	-4.3	-4.17	-0.13
310	L	L	-2.84	-2.15	-0.69
311	D	D	-0.68	-1.21	0.52
312	G	G	-0.06	-0.32	0.27
313	C	C	-0.37	-0.15	-0.22
314	R	R	-0.9	-1.42	0.52
315	K	K	-2.25	-2.35	0.1
316	N	N	-5.23	-3.8	-1.43
317	R	R	-2.4	-1.09	-1.32
318	Q	Q	0.46	0.14	0.32
319	K	K	-0.41	-0.96	0.55
320	W	W	-5.95	-6.71	0.76
321	Q	Q	-0.97	9.88	-10.84
322	A	A	-1.21	-0.28	-0.93
323	L	L	-0.96	-1.75	0.78
324	A	A	-1.49	-0.7	-0.79
325	E	E	-0.54	6.6	-7.14
326	Q	Q	7.54	9.89	-2.35
327	Q	Q	6.84	7.58	-0.75
328	X	X	7.0	6.8	0.2
329	X	X	0.61	-7.87	8.48
330	X	X	-18.37	-6.85	-11.52

Analysis of pair 2h44A_1rkpA

Cluster metrics table

Aligned per-residue ΔΔG