Project name: 248eb58af77f71c

Chain sequence(s)	A: GKRPTDLALSVILVFMLFFIMLSLGCTMEFSKIKAHLWKPKGLAIALVAQYGIMPLTAFVLGKVFRLKNIEALAILVCGCSPGGNLSNVFSLAMKGDMNLSIVMTTCSTFCALGMMPLLLYIYSRGIYDGDLKDKVPYKGIVISLVLVLIPCTIGIVLKSKRPQYMRYVIKGGMIIILLCSVAVTVLSAINVGKSIMFAMTPLLIATSSLMPFIGFLLGYVLSALFCLNGRCRRTVSMETGCQNVQLCSTILNVAFPPEVIGPLFFFPLLYMIFQLGEGLLLIAIFWCYEKFK
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]                                                (00:00:01)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:01)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with A chain(s) selected             (00:00:01)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:01)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:01)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:04:23)
[INFO]       Main:     Simulation completed successfully.                                          (00:04:25)

• Minimal score value: -3.0616
• Maximal score value: 3.6254
• Average score: 0.3341
• Total score value: 97.8833

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
19	G	A	-1.6216
20	K	A	-2.2126
21	R	A	-1.8061
22	P	A	-0.7833
23	T	A	-0.2129
24	D	A	-0.3317
25	L	A	0.9967
26	A	A	1.1615
27	L	A	1.6657
28	S	A	1.6813
29	V	A	2.5142
30	I	A	2.5780
31	L	A	2.5076
32	V	A	3.0782
33	F	A	3.6254
34	M	A	3.0371
35	L	A	2.3268
36	F	A	2.5599
37	F	A	2.4517
38	I	A	1.7580
39	M	A	0.0000
40	L	A	1.2401
41	S	A	0.6661
42	L	A	0.0000
43	G	A	0.0000
44	C	A	-0.0053
45	T	A	-0.1883
46	M	A	0.0000
47	E	A	-1.0726
48	F	A	-0.1168
49	S	A	-0.9591
50	K	A	-1.6840
51	I	A	-0.6326
52	K	A	-0.9473
53	A	A	-0.7312
54	H	A	-0.7599
55	L	A	0.0359
56	W	A	0.0930
57	K	A	-1.4345
58	P	A	-1.0204
59	K	A	-1.1425
60	G	A	0.0000
61	L	A	-0.0089
62	A	A	0.1008
63	I	A	0.0000
64	A	A	0.0000
65	L	A	1.2079
66	V	A	1.9747
67	A	A	0.0000
68	Q	A	0.0000
69	Y	A	0.0000
70	G	A	0.7202
71	I	A	1.1974
72	M	A	0.0000
73	P	A	0.0000
74	L	A	1.5586
75	T	A	1.0175
76	A	A	0.0000
77	F	A	1.5995
78	V	A	1.5382
79	L	A	1.0171
80	G	A	-0.1279
81	K	A	-0.7319
82	V	A	1.0774
83	F	A	0.1333
84	R	A	-1.7828
85	L	A	-1.4484
86	K	A	-2.3254
87	N	A	-1.8999
88	I	A	-0.5476
89	E	A	0.0000
90	A	A	-0.7822
91	L	A	0.0000
92	A	A	0.0000
93	I	A	0.0000
94	L	A	0.0000
95	V	A	0.0000
96	C	A	0.0000
97	G	A	0.0000
98	C	A	0.0000
99	S	A	0.0000
100	P	A	0.0000
101	G	A	0.0000
102	G	A	-0.3302
103	N	A	0.0965
104	L	A	0.5525
105	S	A	0.0000
106	N	A	0.0000
107	V	A	1.0796
108	F	A	0.0000
109	S	A	0.0000
110	L	A	0.7081
111	A	A	0.4139
112	M	A	0.0000
113	K	A	-1.9460
114	G	A	-1.7536
115	D	A	0.0000
116	M	A	0.0000
117	N	A	0.0000
118	L	A	0.0000
119	S	A	0.0000
120	I	A	0.0000
121	V	A	0.0000
122	M	A	0.0000
123	T	A	0.0000
124	T	A	0.8142
125	C	A	1.0527
126	S	A	0.0000
127	T	A	1.1720
128	F	A	2.3005
129	C	A	1.3437
130	A	A	0.0000
131	L	A	0.9109
132	G	A	0.4214
133	M	A	0.6530
134	M	A	0.0000
135	P	A	0.1064
136	L	A	1.5687
137	L	A	0.0000
138	L	A	0.0000
139	Y	A	1.3731
140	I	A	2.1116
141	Y	A	1.2919
142	S	A	0.0000
143	R	A	-1.5610
144	G	A	-1.5334
145	I	A	-1.3033
146	Y	A	-1.5713
147	D	A	-2.5912
148	G	A	-2.2992
149	D	A	-3.0616
150	L	A	0.0000
151	K	A	-2.1031
152	D	A	-2.8344
153	K	A	-1.8405
154	V	A	0.0000
155	P	A	-0.5393
156	Y	A	-0.3660
157	K	A	-0.9613
158	G	A	-0.2983
159	I	A	0.0000
160	V	A	1.4804
161	I	A	1.5100
162	S	A	1.1185
163	L	A	0.0000
164	V	A	2.0695
165	L	A	2.1217
166	V	A	1.6338
167	L	A	1.7800
168	I	A	1.9196
169	P	A	0.0000
170	C	A	0.0000
171	T	A	1.1819
172	I	A	1.5046
173	G	A	0.0000
174	I	A	0.0000
175	V	A	-0.0458
176	L	A	-0.7521
177	K	A	-1.8307
178	S	A	-1.7244
179	K	A	-2.7898
180	R	A	-2.9830
181	P	A	-2.2314
182	Q	A	-1.8939
183	Y	A	-0.3765
184	M	A	0.0000
185	R	A	-1.4489
186	Y	A	0.2514
187	V	A	0.2485
188	I	A	0.1951
189	K	A	-0.7451
190	G	A	0.4053
191	G	A	0.0000
192	M	A	2.0735
193	I	A	2.5826
194	I	A	2.7749
195	I	A	3.0276
196	L	A	3.2102
197	L	A	3.1111
198	C	A	3.0287
199	S	A	2.0899
200	V	A	2.6041
201	A	A	2.0514
202	V	A	2.0283
203	T	A	1.6355
204	V	A	2.6607
205	L	A	1.7099
206	S	A	1.0273
207	A	A	0.9795
208	I	A	1.1668
209	N	A	0.1275
210	V	A	0.6422
211	G	A	-0.2704
212	K	A	-1.0425
213	S	A	0.4772
214	I	A	2.3327
215	M	A	2.2931
216	F	A	2.0325
217	A	A	1.0786
218	M	A	0.8000
219	T	A	0.1414
220	P	A	0.2951
221	L	A	0.4784
222	L	A	0.0000
223	I	A	0.9907
224	A	A	0.7328
225	T	A	0.0000
226	S	A	0.0000
227	S	A	1.0229
228	L	A	1.2498
229	M	A	0.0000
230	P	A	0.0000
231	F	A	1.7210
232	I	A	1.6043
233	G	A	0.0000
234	F	A	0.0000
235	L	A	2.6744
236	L	A	2.0294
237	G	A	0.0000
238	Y	A	2.1673
239	V	A	2.7091
240	L	A	2.3669
241	S	A	0.0000
242	A	A	1.9590
243	L	A	2.9318
244	F	A	2.4092
245	C	A	1.6202
246	L	A	0.1172
247	N	A	-1.5133
248	G	A	-1.7326
249	R	A	-2.6327
250	C	A	-1.5412
251	R	A	-0.6085
252	R	A	-1.3218
253	T	A	0.0000
254	V	A	0.0000
255	S	A	0.0000
256	M	A	0.0000
257	E	A	0.0000
258	T	A	0.0000
259	G	A	0.0000
260	C	A	0.0000
261	Q	A	0.0000
262	N	A	-0.5135
263	V	A	-0.3839
264	Q	A	-1.1316
265	L	A	0.0000
266	C	A	0.0000
267	S	A	-0.2980
268	T	A	-0.4487
269	I	A	0.0000
270	L	A	0.0000
271	N	A	-0.3266
272	V	A	0.9909
273	A	A	0.0104
274	F	A	0.2106
275	P	A	-0.4363
276	P	A	-0.8152
277	E	A	-1.6381
278	V	A	-0.2247
279	I	A	0.0000
280	G	A	0.4682
281	P	A	0.4688
282	L	A	0.0000
283	F	A	1.9480
284	F	A	1.5663
285	F	A	0.0000
286	P	A	0.8598
287	L	A	1.6559
288	L	A	1.7828
289	Y	A	0.0000
290	M	A	1.6704
291	I	A	2.3942
292	F	A	1.8048
293	Q	A	0.0000
294	L	A	1.5441
295	G	A	1.0148
296	E	A	0.9487
297	G	A	0.0000
298	L	A	1.7530
299	L	A	1.6356
300	L	A	1.4264
301	I	A	0.0000
302	A	A	1.3507
303	I	A	1.5656
304	F	A	0.7524
305	W	A	0.2680
306	C	A	0.6889
307	Y	A	0.7103
308	E	A	-1.0648
309	K	A	-1.2710
310	F	A	0.4674
311	K	A	-1.1028