Project name: 8f8adae38c8f27e

Chain sequence(s)	A: AKTTPPSVYPLAPGSAAQTNSMVTLGCLVKGYFPEPVTVTWNSGSLSSGVHTFPAVLQSDLYTLSSSVTVPSSTWPSETVTCNVAHPASSTKVDKKIVPRDCGCKPCICTVPEVSSVFIFPPKPKDVLTITLTPKVTCVVVDISKDDPEVQFSWFVDDVEVHTAQTQPREEQFNSTFRSVSELPIMHQDWLNGKEFKCRVNSAAFPAPIEKTISKTKGRPKAPQVYTIPPPKEQMAKDKVSLTCMITDFFPEDITVEWQWNGQPAENYKNTQPIMDTDGSYFVYSKLNVQKSNWEAGNTFTCSVLHEGLHNHHTEKSLSHSPGK
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                                        (00:00:01)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:02:46)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:48)

• Minimal score value: -3.9155
• Maximal score value: 2.6039
• Average score: -0.8189
• Total score value: -265.3317

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	A	A	-1.1428
2	K	A	-1.8455
3	T	A	-0.9747
4	T	A	-0.4576
5	P	A	-0.7593
6	P	A	0.0000
7	S	A	-0.2855
8	V	A	0.0000
9	Y	A	0.3988
10	P	A	0.3554
11	L	A	0.7220
12	A	A	0.1087
13	P	A	-0.4243
14	G	A	-0.8026
15	S	A	-0.9029
16	A	A	-0.5587
17	A	A	-1.0656
18	Q	A	-1.7470
19	T	A	-1.2537
20	N	A	-1.6325
21	S	A	-0.8926
22	M	A	-0.3385
23	V	A	0.0000
24	T	A	-0.0281
25	L	A	0.0000
26	G	A	0.0000
27	C	A	0.0000
28	L	A	0.4736
29	V	A	0.0000
30	K	A	-0.7404
31	G	A	-0.7322
32	Y	A	0.0000
33	F	A	-0.8096
34	P	A	-1.0957
35	E	A	-1.5960
36	P	A	-1.1739
37	V	A	-0.6212
38	T	A	-0.3856
39	V	A	-0.0522
40	T	A	-0.3047
41	W	A	0.0000
42	N	A	-0.9959
43	S	A	-0.7320
44	G	A	-0.5257
45	S	A	-0.4627
46	L	A	-0.2153
47	S	A	-0.4581
48	S	A	-0.4768
49	G	A	-0.5608
50	V	A	-0.1063
51	H	A	-0.6339
52	T	A	0.1306
53	F	A	0.9450
54	P	A	0.5703
55	A	A	0.4704
56	V	A	1.1325
57	L	A	0.5486
58	Q	A	-0.8895
59	S	A	-1.2319
60	D	A	-1.7804
61	L	A	-0.7997
62	Y	A	-0.1634
63	T	A	0.0899
64	L	A	0.0000
65	S	A	0.3979
66	S	A	0.0000
67	S	A	0.0343
68	V	A	0.0000
69	T	A	-0.1769
70	V	A	0.0000
71	P	A	-0.3236
72	S	A	-0.9513
73	S	A	-0.7699
74	T	A	-0.8701
75	W	A	0.0000
76	P	A	-0.7571
77	S	A	-1.2654
78	E	A	-2.0509
79	T	A	-1.0717
80	V	A	0.0000
81	T	A	-1.3846
82	C	A	0.0000
83	N	A	0.0000
84	V	A	0.0000
85	A	A	-0.9220
86	H	A	0.0000
87	P	A	-0.8778
88	A	A	-0.4980
89	S	A	-0.4739
90	S	A	-0.7358
91	T	A	-0.9629
92	K	A	-2.0566
93	V	A	-1.5401
94	D	A	-2.6182
95	K	A	-1.6764
96	K	A	-1.5418
97	I	A	0.0000
98	V	A	0.5319
99	P	A	-0.7612
100	R	A	-2.2031
101	D	A	-2.1583
102	C	A	-0.8635
103	G	A	-1.0324
104	C	A	-0.3112
105	K	A	-0.9940
106	P	A	0.2209
107	C	A	1.4692
108	I	A	2.6039
109	C	A	2.3417
110	T	A	1.2721
111	V	A	1.2831
112	P	A	-0.0767
113	E	A	-1.0344
114	V	A	0.4128
115	S	A	0.0000
116	S	A	-0.1808
117	V	A	0.0000
118	F	A	1.1489
119	I	A	0.8127
120	F	A	0.9574
121	P	A	-0.2535
122	P	A	0.0000
123	K	A	-2.0386
124	P	A	-1.4066
125	K	A	-0.7542
126	D	A	-0.5437
127	V	A	0.0000
128	L	A	-0.2278
129	T	A	0.7410
130	I	A	2.1043
131	T	A	1.1770
132	L	A	1.0079
133	T	A	0.2905
134	P	A	0.0000
135	K	A	-0.9546
136	V	A	0.0000
137	T	A	0.0630
138	C	A	0.0000
139	V	A	0.0000
140	V	A	0.0000
141	V	A	-0.7160
142	D	A	-1.4475
143	I	A	0.0000
144	S	A	-1.8713
145	K	A	-3.2828
146	D	A	-2.9995
147	D	A	-2.0804
148	P	A	-1.9460
149	E	A	-2.7354
150	V	A	-1.5997
151	Q	A	-1.7362
152	F	A	-1.2590
153	S	A	-1.2318
154	W	A	0.0000
155	F	A	-1.3189
156	V	A	-1.3357
157	D	A	-2.5090
158	D	A	-2.2066
159	V	A	-0.1308
160	E	A	-1.5394
161	V	A	-0.6919
162	H	A	-1.3655
163	T	A	-0.9743
164	A	A	-1.1787
165	Q	A	-1.8316
166	T	A	-1.6655
167	Q	A	-2.4014
168	P	A	-2.5468
169	R	A	-3.5295
170	E	A	-3.9155
171	E	A	-3.4333
172	Q	A	-1.4324
173	F	A	0.9441
174	N	A	-0.4958
175	S	A	-1.3112
176	T	A	-2.1358
177	F	A	0.0000
178	R	A	-2.6532
179	S	A	0.0000
180	V	A	0.0000
181	S	A	0.0000
182	E	A	-1.0977
183	L	A	0.0000
184	P	A	-0.4783
185	I	A	0.0478
186	M	A	0.5920
187	H	A	0.0125
188	Q	A	-1.0226
189	D	A	-1.5287
190	W	A	0.0000
191	L	A	-0.9560
192	N	A	-2.2176
193	G	A	-2.1454
194	K	A	-2.5715
195	E	A	-2.9050
196	F	A	0.0000
197	K	A	-1.9841
198	C	A	0.0000
199	R	A	-1.9022
200	V	A	0.0000
201	N	A	-1.3791
202	S	A	0.0000
203	A	A	-0.4781
204	A	A	-0.3032
205	F	A	-0.0207
206	P	A	-0.3329
207	A	A	-0.2558
208	P	A	-0.8413
209	I	A	-0.8686
210	E	A	-2.2555
211	K	A	-1.2715
212	T	A	-1.0709
213	I	A	-0.3670
214	S	A	-1.3553
215	K	A	-1.5199
216	T	A	-1.4502
217	K	A	-2.5021
218	G	A	-2.2636
219	R	A	-2.5538
220	P	A	-1.6699
221	K	A	-1.2674
222	A	A	-1.0410
223	P	A	0.0000
224	Q	A	-0.9915
225	V	A	0.0000
226	Y	A	1.0008
227	T	A	0.5825
228	I	A	0.7860
229	P	A	-0.1974
230	P	A	-1.0649
231	P	A	-1.6037
232	K	A	-2.7202
233	E	A	-2.9893
234	Q	A	-2.6129
235	M	A	-2.4400
236	A	A	-2.0901
237	K	A	-3.3518
238	D	A	-3.6407
239	K	A	-3.4433
240	V	A	0.0000
241	S	A	-1.0720
242	L	A	0.0000
243	T	A	-0.2036
244	C	A	0.0000
245	M	A	0.7726
246	I	A	0.0000
247	T	A	-0.1419
248	D	A	-1.1255
249	F	A	0.0000
250	F	A	-1.0184
251	P	A	0.0000
252	E	A	-1.0154
253	D	A	-1.4742
254	I	A	-0.7990
255	T	A	-0.8703
256	V	A	0.0000
257	E	A	-1.7895
258	W	A	0.0000
259	Q	A	-1.6200
260	W	A	-0.9571
261	N	A	-1.3935
262	G	A	-1.4459
263	Q	A	-1.9230
264	P	A	-1.6450
265	A	A	-1.9074
266	E	A	-2.9546
267	N	A	-2.7687
268	Y	A	-2.6594
269	K	A	-3.1047
270	N	A	-2.0161
271	T	A	-1.1885
272	Q	A	-1.3224
273	P	A	-0.4081
274	I	A	0.5318
275	M	A	0.1665
276	D	A	-1.1101
277	T	A	-1.2322
278	D	A	-2.1796
279	G	A	-1.1003
280	S	A	0.0000
281	Y	A	-0.3924
282	F	A	0.1342
283	V	A	0.0000
284	Y	A	0.0902
285	S	A	0.0000
286	K	A	-2.0488
287	L	A	0.0000
288	N	A	-2.3067
289	V	A	0.0000
290	Q	A	-3.1455
291	K	A	-3.0855
292	S	A	-2.1522
293	N	A	-1.7646
294	W	A	0.0000
295	E	A	-2.4206
296	A	A	-1.3197
297	G	A	-1.2057
298	N	A	-0.9599
299	T	A	-0.6117
300	F	A	0.0000
301	T	A	-1.2978
302	C	A	0.0000
303	S	A	0.0000
304	V	A	0.0000
305	L	A	0.0000
306	H	A	0.0000
307	E	A	-0.8630
308	G	A	-1.0710
309	L	A	-1.2794
310	H	A	-1.8041
311	N	A	-2.0304
312	H	A	-1.4819
313	H	A	-1.5556
314	T	A	-1.6616
315	E	A	-2.0479
316	K	A	-1.4632
317	S	A	-0.8604
318	L	A	0.0000
319	S	A	-0.7250
320	H	A	-1.1994
321	S	A	-1.1957
322	P	A	-1.3717
323	G	A	-1.5116
324	K	A	-2.0231