Project name: 1db0868dd97bc2c

Chain sequence(s)	A: DAPCAPLQVVGVPGTGYELIFDGQGMPNGLDLLKPGVLIKDVAAKLQPERDAGRVTYQQVPYPADIGITMSYRKSVRVGTAATKTYIKAKSIQCPGSRFALIGYSQGARVAGNVLHSIGKGNGPIAPDKLAVGGLWSDPGRSTSDQLIGPGVPGVGIDRLRKGGFGAVNGRTFSVCAPGDIVCSTDDTTLLRPLVRKFGKSALADTSIFQQALKMLRRNGFDLQKWSREFGEQDPMSLLPKAFKTGFEIDRYVREGSHGHYLVGNTISVDGQSSIDWVTDRLRDAAR
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                                          (00:03:05)
[INFO]       Main:     Simulation completed successfully.                                          (00:03:06)

• Minimal score value: -3.1505
• Maximal score value: 2.0575
• Average score: -0.5329
• Total score value: -152.9457

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	D	A	-1.8144
2	A	A	-0.7603
3	P	A	-0.6600
4	C	A	-0.3068
5	A	A	0.0000
6	P	A	-0.8932
7	L	A	0.0000
8	Q	A	0.0000
9	V	A	0.0000
10	V	A	0.0000
11	G	A	0.0000
12	V	A	0.0000
13	P	A	0.0000
14	G	A	0.0000
15	T	A	0.6864
16	G	A	0.5882
17	Y	A	-0.2669
18	E	A	-1.4458
19	L	A	0.4783
20	I	A	0.4783
21	F	A	0.0000
22	D	A	-2.3823
23	G	A	-1.9444
24	Q	A	-2.0889
25	G	A	-1.4537
26	M	A	-0.4260
27	P	A	-1.1177
28	N	A	-1.5104
29	G	A	-0.8604
30	L	A	0.3378
31	D	A	-0.6814
32	L	A	1.7405
33	L	A	1.6524
34	K	A	0.0300
35	P	A	0.0346
36	G	A	0.0000
37	V	A	-0.3145
38	L	A	0.0000
39	I	A	0.0000
40	K	A	-2.0628
41	D	A	-1.5554
42	V	A	0.0000
43	A	A	0.0000
44	A	A	-1.1742
45	K	A	-1.4836
46	L	A	0.0000
47	Q	A	-1.7393
48	P	A	-1.6757
49	E	A	0.0000
50	R	A	-2.2446
51	D	A	-2.6077
52	A	A	-1.6372
53	G	A	-1.6180
54	R	A	-2.0139
55	V	A	0.0000
56	T	A	-0.7420
57	Y	A	-0.5944
58	Q	A	-0.7691
59	Q	A	-0.8576
60	V	A	0.0000
61	P	A	-0.5921
62	Y	A	0.0000
63	P	A	-0.3350
64	A	A	0.0000
65	D	A	0.0000
66	I	A	2.0431
67	G	A	0.0000
68	I	A	1.7862
69	T	A	0.7757
70	M	A	0.0484
71	S	A	-0.6169
72	Y	A	0.0000
73	R	A	-1.7921
74	K	A	-2.1890
75	S	A	0.0000
76	V	A	0.0000
77	R	A	-2.3095
78	V	A	-1.0029
79	G	A	0.0000
80	T	A	0.0000
81	A	A	-0.5968
82	A	A	-0.4735
83	T	A	0.0000
84	K	A	-1.0208
85	T	A	-0.7299
86	Y	A	-0.6260
87	I	A	0.0000
88	K	A	-0.9936
89	A	A	-0.2540
90	K	A	-0.2780
91	S	A	-0.0408
92	I	A	1.1819
93	Q	A	-0.1557
94	C	A	0.0000
95	P	A	-0.1683
96	G	A	-0.5631
97	S	A	0.0000
98	R	A	-1.2411
99	F	A	0.0000
100	A	A	0.0000
101	L	A	0.0000
102	I	A	0.0000
103	G	A	0.0000
104	Y	A	0.0000
105	S	A	0.0000
106	Q	A	0.0000
107	G	A	0.0000
108	A	A	0.0000
109	R	A	-0.6747
110	V	A	0.0000
111	A	A	0.0000
112	G	A	0.0000
113	N	A	-0.8740
114	V	A	0.0000
115	L	A	0.0000
116	H	A	-1.4229
117	S	A	-1.5276
118	I	A	0.0000
119	G	A	0.0000
120	K	A	-2.5282
121	G	A	-2.1861
122	N	A	-2.0911
123	G	A	-1.5853
124	P	A	0.0000
125	I	A	0.0000
126	A	A	-1.3440
127	P	A	-1.7258
128	D	A	-2.1961
129	K	A	-1.7286
130	L	A	0.0000
131	A	A	0.0000
132	V	A	0.0000
133	G	A	0.0000
134	G	A	0.0000
135	L	A	0.0000
136	W	A	0.0000
137	S	A	0.0000
138	D	A	0.0000
139	P	A	0.0000
140	G	A	0.0000
141	R	A	0.0000
142	S	A	0.0000
143	T	A	-0.2219
144	S	A	-0.6882
145	D	A	0.0000
146	Q	A	-1.1517
147	L	A	-0.3312
148	I	A	0.0000
149	G	A	-1.0136
150	P	A	-0.6874
151	G	A	-0.6225
152	V	A	0.0000
153	P	A	-0.6642
154	G	A	-0.8881
155	V	A	-0.4943
156	G	A	0.0000
157	I	A	-0.4655
158	D	A	0.0000
159	R	A	-1.9680
160	L	A	-0.8998
161	R	A	0.0000
162	K	A	-2.0926
163	G	A	-1.6186
164	G	A	0.0000
165	F	A	0.0000
166	G	A	-1.4271
167	A	A	-1.2081
168	V	A	0.0000
169	N	A	-1.3165
170	G	A	-1.3618
171	R	A	-1.5976
172	T	A	0.0000
173	F	A	0.0000
174	S	A	0.0000
175	V	A	0.0000
176	C	A	0.0000
177	A	A	0.0000
178	P	A	-0.8181
179	G	A	-0.9995
180	D	A	0.0000
181	I	A	0.0000
182	V	A	0.1961
183	C	A	0.0000
184	S	A	-0.5139
185	T	A	0.0000
186	D	A	-1.8217
187	D	A	-2.2292
188	T	A	-1.4402
189	T	A	0.0000
190	L	A	0.0000
191	L	A	0.0000
192	R	A	-1.0335
193	P	A	-0.7366
194	L	A	-0.0575
195	V	A	-0.7421
196	R	A	-1.8701
197	K	A	-1.2453
198	F	A	-0.4574
199	G	A	0.0000
200	K	A	-2.2074
201	S	A	0.0000
202	A	A	0.0000
203	L	A	1.7393
204	A	A	0.3800
205	D	A	-0.9771
206	T	A	-0.2979
207	S	A	-0.3108
208	I	A	0.6899
209	F	A	1.3166
210	Q	A	-0.7149
211	Q	A	-0.7428
212	A	A	0.0773
213	L	A	-0.3264
214	K	A	-2.2267
215	M	A	-1.1629
216	L	A	-0.1453
217	R	A	-2.3905
218	R	A	-2.6825
219	N	A	0.0000
220	G	A	-0.2397
221	F	A	1.1886
222	D	A	-0.1942
223	L	A	-0.3983
224	Q	A	-2.1057
225	K	A	-2.2008
226	W	A	-1.1932
227	S	A	0.0000
228	R	A	-3.1505
229	E	A	-1.7887
230	F	A	0.0000
231	G	A	-1.8777
232	E	A	-2.1765
233	Q	A	-2.5286
234	D	A	-2.0476
235	P	A	-1.1606
236	M	A	0.4163
237	S	A	-0.0443
238	L	A	0.0000
239	L	A	1.1921
240	P	A	0.5851
241	K	A	0.2951
242	A	A	0.9447
243	F	A	2.0575
244	K	A	0.6351
245	T	A	0.0000
246	G	A	0.8086
247	F	A	1.5302
248	E	A	0.0317
249	I	A	0.5551
250	D	A	-1.0181
251	R	A	-2.0681
252	Y	A	-0.9003
253	V	A	-0.1674
254	R	A	-2.6157
255	E	A	-3.0052
256	G	A	-1.6089
257	S	A	0.0000
258	H	A	-0.4006
259	G	A	0.1477
260	H	A	-0.3971
261	Y	A	0.0000
262	L	A	0.9090
263	V	A	1.6851
264	G	A	0.1816
265	N	A	-0.2307
266	T	A	-0.3172
267	I	A	0.0000
268	S	A	-1.2873
269	V	A	0.0000
270	D	A	-2.3288
271	G	A	-1.7408
272	Q	A	-1.7186
273	S	A	-1.2193
274	S	A	0.0000
275	I	A	0.0000
276	D	A	-1.2819
277	W	A	0.0000
278	V	A	0.0000
279	T	A	0.0000
280	D	A	-1.9052
281	R	A	-2.2905
282	L	A	0.0000
283	R	A	-2.4383
284	D	A	-3.0740
285	A	A	0.0000
286	A	A	0.0000
287	R	A	-2.8147