Project name: query_structure

Chain sequence(s)	A: MIDKSAFVHPTAIVEEGASIGANAHIGPFCIVGPHVEIGEGTVLKSHVVVNGHTKIGRDNEIYQFASIGEVNQDLKYAGEPTRVEIGDRNRIRESVTIHRGTVQGGGLTKVGSDNLLMINAHIAHDCTVGNRCILANNATLAGHVSVDDFAIIGGMTAVHQFCIIGAHVMVGGCSGVAQDVPPYVIAQGNHATPFGVNIEGLKRRGFSREAITAIRNAYKLIYRSGKTLDEVKPEIAELAETYPEVKAFTDFFARSTRGLIR
Selected Chain(s)	A
Distance of aggregation	10 Å
FoldX usage	Yes
Dynamic mode	No
Automated mutations	No

Simulation log

[INFO]       Logger:   Verbosity set to: 2 - [INFO]                                                (00:00:00)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:00)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with A chain(s) selected             (00:00:00)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:00)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:00)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:03:24)
[INFO]       Main:     Simulation completed successfully.                                          (00:03:25)

• Minimal score value: -3.7229
• Maximal score value: 2.041
• Average score: -0.6617
• Total score value: -173.3662

The table below lists A3D score for protein residues. Residues with A3D score > 0.0000 are marked by yellow rows.

residue index	residue name	chain	Aggrescan3D score	mutation
1	M	A	0.9242
2	I	A	1.0604
3	D	A	-0.5606
4	K	A	-1.4730
5	S	A	-1.1865
6	A	A	-0.5810
7	F	A	0.7373
8	V	A	1.0151
9	H	A	0.7031
10	P	A	0.4669
11	T	A	0.9206
12	A	A	1.5879
13	I	A	1.9629
14	V	A	0.5168
15	E	A	-1.5919
16	E	A	-2.1465
17	G	A	-1.5174
18	A	A	0.0000
19	S	A	-0.4336
20	I	A	0.0000
21	G	A	-0.9776
22	A	A	-1.3710
23	N	A	-1.9520
24	A	A	0.0000
25	H	A	-0.5926
26	I	A	0.0000
27	G	A	0.0000
28	P	A	0.7718
29	F	A	2.0410
30	C	A	0.0000
31	I	A	1.8008
32	V	A	0.0000
33	G	A	0.0000
34	P	A	-1.8045
35	H	A	-2.1842
36	V	A	0.0000
37	E	A	-1.6838
38	I	A	0.0000
39	G	A	-2.0905
40	E	A	-2.5199
41	G	A	-2.2357
42	T	A	0.0000
43	V	A	-0.9325
44	L	A	0.0000
45	K	A	-0.7234
46	S	A	0.2386
47	H	A	0.7402
48	V	A	0.0000
49	V	A	1.2018
50	V	A	0.0000
51	N	A	-0.9229
52	G	A	-1.4002
53	H	A	-2.0417
54	T	A	0.0000
55	K	A	-2.2557
56	I	A	0.0000
57	G	A	-2.2263
58	R	A	-3.2162
59	D	A	-3.4756
60	N	A	0.0000
61	E	A	-1.6689
62	I	A	0.0000
63	Y	A	-0.3705
64	Q	A	0.2148
65	F	A	1.3307
66	A	A	0.0000
67	S	A	0.3981
68	I	A	0.0000
69	G	A	0.0000
70	E	A	-0.6773
71	V	A	-0.3194
72	N	A	0.0000
73	Q	A	-1.0843
74	D	A	-0.4636
75	L	A	0.4115
76	K	A	-0.9899
77	Y	A	-0.4798
78	A	A	-0.1791
79	G	A	-0.7154
80	E	A	-0.5389
81	P	A	-0.7669
82	T	A	0.0000
83	R	A	-2.2303
84	V	A	0.0000
85	E	A	-1.7915
86	I	A	0.0000
87	G	A	-1.6540
88	D	A	-2.5175
89	R	A	-3.0342
90	N	A	0.0000
91	R	A	-1.3919
92	I	A	0.0000
93	R	A	-0.6706
94	E	A	-0.4405
95	S	A	0.0171
96	V	A	0.0000
97	T	A	-0.1195
98	I	A	0.0000
99	H	A	-0.7349
100	R	A	-1.0119
101	G	A	0.0000
102	T	A	0.0000
103	V	A	0.2519
104	Q	A	-0.8557
105	G	A	-0.5683
106	G	A	-0.5584
107	G	A	-0.3806
108	L	A	-0.7625
109	T	A	0.0000
110	K	A	-1.2853
111	V	A	0.0000
112	G	A	-1.4145
113	S	A	-1.7702
114	D	A	-1.9524
115	N	A	0.0000
116	L	A	-0.2373
117	L	A	0.0000
118	M	A	-0.2852
119	I	A	-0.1614
120	N	A	-0.9121
121	A	A	0.0000
122	H	A	-0.5364
123	I	A	0.0000
124	A	A	0.0000
125	H	A	-0.7025
126	D	A	0.0000
127	C	A	0.0000
128	T	A	-0.4908
129	V	A	0.0000
130	G	A	-1.3015
131	N	A	-2.0192
132	R	A	-2.2475
133	C	A	0.0000
134	I	A	0.1503
135	L	A	0.0000
136	A	A	-0.2338
137	N	A	-1.0860
138	N	A	-1.0114
139	A	A	0.0000
140	T	A	-0.4309
141	L	A	0.0000
142	A	A	-0.2062
143	G	A	0.0000
144	H	A	0.1001
145	V	A	0.0000
146	S	A	-0.0268
147	V	A	0.0000
148	D	A	-1.1790
149	D	A	-1.2568
150	F	A	-0.5066
151	A	A	0.0000
152	I	A	0.3781
153	I	A	0.0000
154	G	A	0.0250
155	G	A	-0.0384
156	M	A	0.4959
157	T	A	0.0000
158	A	A	-0.2203
159	V	A	0.0000
160	H	A	-0.4811
161	Q	A	-0.2918
162	F	A	1.0714
163	C	A	0.0000
164	I	A	-0.2111
165	I	A	0.0000
166	G	A	0.0000
167	A	A	-0.4436
168	H	A	0.0000
169	V	A	0.0000
170	M	A	0.8327
171	V	A	0.0000
172	G	A	0.0452
173	G	A	0.0042
174	C	A	0.4096
175	S	A	0.0000
176	G	A	0.0000
177	V	A	0.0000
178	A	A	-0.7592
179	Q	A	-1.0738
180	D	A	0.0000
181	V	A	0.0000
182	P	A	0.0000
183	P	A	0.0000
184	Y	A	0.0000
185	V	A	0.0000
186	I	A	1.1582
187	A	A	0.0000
188	Q	A	-0.4845
189	G	A	-1.0571
190	N	A	-1.8298
191	H	A	-2.0236
192	A	A	0.0000
193	T	A	-0.8040
194	P	A	0.4008
195	F	A	1.7614
196	G	A	0.7614
197	V	A	-0.0565
198	N	A	0.0000
199	I	A	-1.5492
200	E	A	-2.8616
201	G	A	0.0000
202	L	A	0.0000
203	K	A	-3.7229
204	R	A	-3.4966
205	R	A	-2.3610
206	G	A	-1.8744
207	F	A	-1.6642
208	S	A	-1.9931
209	R	A	-3.0245
210	E	A	-2.8826
211	A	A	0.0000
212	I	A	0.0000
213	T	A	-1.8747
214	A	A	0.0000
215	I	A	0.0000
216	R	A	-2.4512
217	N	A	-1.9011
218	A	A	0.0000
219	Y	A	-1.5017
220	K	A	-2.4352
221	L	A	-2.1326
222	I	A	0.0000
223	Y	A	0.0000
224	R	A	-2.7392
225	S	A	-2.1208
226	G	A	-2.0764
227	K	A	-2.7324
228	T	A	-1.9124
229	L	A	-1.8814
230	D	A	-2.9631
231	E	A	-3.0870
232	V	A	0.0000
233	K	A	-2.5930
234	P	A	-2.3424
235	E	A	-2.7247
236	I	A	0.0000
237	A	A	-2.4493
238	E	A	-3.0472
239	L	A	-1.8706
240	A	A	0.0000
241	E	A	-2.5778
242	T	A	-1.2586
243	Y	A	-1.0694
244	P	A	-1.1119
245	E	A	-1.1975
246	V	A	0.0000
247	K	A	-2.5183
248	A	A	-1.4501
249	F	A	0.0000
250	T	A	-1.8055
251	D	A	-2.5574
252	F	A	0.0000
253	F	A	0.0000
254	A	A	-1.5250
255	R	A	-2.3368
256	S	A	-1.2473
257	T	A	-0.6584
258	R	A	-0.9350
259	G	A	-1.0684
260	L	A	-0.7556
261	I	A	0.0000
262	R	A	-1.8328