Project name: 6f22a35ab404f3c

Chain sequence(s)	A: TPVLYDGRAPFNLTNADLNSNTGPYLTVVKGSENATHYSSLLGHSQLPTPLWNELLLLPHEQVVSISIDNSSVFVPGGGPPQFGFRRTEFIAANNGDHNDLNPILETGTTVFHVSIKQDPTRPLNFTHEYQIVFIEPNDGTHVFEIQLGSPFTNPTGSLPAPQAHSFKVRDHALNVLFETPFTPALWHNFAVQVDWTDRTLAVLYSTEAAPLAVVARPAPNLSASPGAAGQGDFHFGVLKLPLVNPNDTPADQGDVVHFGIQEGTTEALLYSGVFVEDASHGISVGYGLTIPALHSS
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                                          (00:02:02)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:04)

• Minimal score value: -3.4656
• Maximal score value: 2.7321
• Average score: -0.3147
• Total score value: -93.4643

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	T	A	-0.1911
2	P	A	0.1347
3	V	A	0.8065
4	L	A	0.8316
5	Y	A	0.0000
6	D	A	-1.0926
7	G	A	0.0000
8	R	A	-0.9809
9	A	A	0.0000
10	P	A	-0.6712
11	F	A	-0.2770
12	N	A	-1.1169
13	L	A	0.0000
14	T	A	-1.0345
15	N	A	-1.9502
16	A	A	-1.2353
17	D	A	-1.4582
18	L	A	0.0000
19	N	A	-1.8229
20	S	A	-1.2573
21	N	A	-1.5117
22	T	A	-1.6654
23	G	A	-1.4843
24	P	A	-1.5442
25	Y	A	0.0000
26	L	A	0.0000
27	T	A	0.0000
28	V	A	0.8629
29	V	A	0.0000
30	K	A	-0.1163
31	G	A	0.0000
32	S	A	-0.7208
33	E	A	-2.0747
34	N	A	-2.3432
35	A	A	0.0000
36	T	A	-1.5599
37	H	A	-1.8339
38	Y	A	0.0000
39	S	A	0.0000
40	S	A	-0.3680
41	L	A	-0.1397
42	L	A	0.1128
43	G	A	-0.3679
44	H	A	-0.7770
45	S	A	-0.6036
46	Q	A	-0.3042
47	L	A	0.9906
48	P	A	0.0000
49	T	A	0.0000
50	P	A	0.6637
51	L	A	0.0000
52	W	A	0.2818
53	N	A	0.0000
54	E	A	0.1696
55	L	A	2.2113
56	L	A	2.7321
57	L	A	2.6469
58	L	A	1.6959
59	P	A	0.5317
60	H	A	-0.9018
61	E	A	0.0000
62	Q	A	0.0000
63	V	A	0.0000
64	V	A	0.0000
65	S	A	0.0000
66	I	A	0.0000
67	S	A	0.0000
68	I	A	0.0000
69	D	A	-1.2922
70	N	A	-1.6133
71	S	A	-0.9148
72	S	A	0.0000
73	V	A	0.7024
74	F	A	1.2437
75	V	A	1.4429
76	P	A	0.2877
77	G	A	-0.4779
78	G	A	-0.5354
79	G	A	-0.3238
80	P	A	0.1211
81	P	A	0.9320
82	Q	A	0.0000
83	F	A	2.2681
84	G	A	0.0000
85	F	A	0.0000
86	R	A	-0.0955
87	R	A	0.0000
88	T	A	0.0000
89	E	A	0.0000
90	F	A	0.0000
91	I	A	0.0000
92	A	A	0.0000
93	A	A	0.0000
94	N	A	-3.1496
95	N	A	-2.6929
96	G	A	-2.1608
97	D	A	-3.4656
98	H	A	-2.8136
99	N	A	-2.8265
100	D	A	-2.7737
101	L	A	-1.4350
102	N	A	-0.9754
103	P	A	-0.3914
104	I	A	0.6798
105	L	A	0.0000
106	E	A	0.0000
107	T	A	-0.0205
108	G	A	-0.4287
109	T	A	-0.6355
110	T	A	0.0000
111	V	A	0.0000
112	F	A	0.0000
113	H	A	0.0000
114	V	A	0.0000
115	S	A	0.0000
116	I	A	0.0000
117	K	A	-0.2906
118	Q	A	0.0000
119	D	A	0.0000
120	P	A	-0.5766
121	T	A	-0.4847
122	R	A	-0.7467
123	P	A	-0.6592
124	L	A	0.0000
125	N	A	-0.6127
126	F	A	-0.2695
127	T	A	0.0332
128	H	A	0.0000
129	E	A	0.0000
130	Y	A	0.0000
131	Q	A	-0.1558
132	I	A	0.0000
133	V	A	0.0000
134	F	A	0.0000
135	I	A	0.0000
136	E	A	-1.3440
137	P	A	0.0000
138	N	A	-2.4397
139	D	A	-2.7248
140	G	A	-1.8917
141	T	A	-1.2424
142	H	A	-0.7178
143	V	A	0.0000
144	F	A	0.0000
145	E	A	0.0000
146	I	A	0.0000
147	Q	A	0.0000
148	L	A	0.0000
149	G	A	0.0000
150	S	A	0.0000
151	P	A	-0.0305
152	F	A	0.0290
153	T	A	-0.6941
154	N	A	-1.5440
155	P	A	-1.2427
156	T	A	-0.7182
157	G	A	-0.6681
158	S	A	-0.2478
159	L	A	0.2925
160	P	A	-0.3038
161	A	A	-0.5076
162	P	A	-0.9743
163	Q	A	-1.9668
164	A	A	0.0000
165	H	A	-1.5487
166	S	A	0.0000
167	F	A	0.0000
168	K	A	0.0000
169	V	A	0.0000
170	R	A	0.0000
171	D	A	0.0000
172	H	A	0.2473
173	A	A	0.4445
174	L	A	0.8107
175	N	A	-0.1261
176	V	A	0.4761
177	L	A	0.1534
178	F	A	-0.3773
179	E	A	-1.5637
180	T	A	-1.1735
181	P	A	-1.1708
182	F	A	0.0000
183	T	A	-0.2835
184	P	A	-0.3526
185	A	A	-0.0161
186	L	A	0.1845
187	W	A	0.0000
188	H	A	0.0000
189	N	A	0.0000
190	F	A	0.0000
191	A	A	0.0000
192	V	A	0.0000
193	Q	A	0.0000
194	V	A	0.0000
195	D	A	-0.9657
196	W	A	-0.8409
197	T	A	-1.1453
198	D	A	-1.8000
199	R	A	-0.9872
200	T	A	0.0000
201	L	A	0.0000
202	A	A	0.0000
203	V	A	0.0000
204	L	A	0.0000
205	Y	A	0.4871
206	S	A	0.0000
207	T	A	-0.2181
208	E	A	-0.5531
209	A	A	0.0185
210	A	A	-0.1495
211	P	A	0.0517
212	L	A	0.0000
213	A	A	0.5749
214	V	A	0.5793
215	V	A	0.4851
216	A	A	-0.3207
217	R	A	-1.7034
218	P	A	-1.2465
219	A	A	-0.7708
220	P	A	-0.4131
221	N	A	0.0000
222	L	A	0.9511
223	S	A	0.5060
224	A	A	0.0000
225	S	A	-0.3377
226	P	A	-0.5905
227	G	A	-0.6696
228	A	A	-0.4496
229	A	A	-0.7134
230	G	A	0.0000
231	Q	A	-0.5810
232	G	A	0.0000
233	D	A	-0.8808
234	F	A	0.0000
235	H	A	0.0000
236	F	A	0.0000
237	G	A	0.0000
238	V	A	0.0000
239	L	A	0.0000
240	K	A	0.0000
241	L	A	0.0000
242	P	A	0.0000
243	L	A	0.1816
244	V	A	0.0000
245	N	A	-0.8380
246	P	A	-1.2642
247	N	A	-1.7647
248	D	A	-1.2579
249	T	A	-0.9314
250	P	A	-1.0965
251	A	A	-0.5867
252	D	A	-0.9779
253	Q	A	-1.2221
254	G	A	-1.1257
255	D	A	-0.6684
256	V	A	0.4142
257	V	A	0.7307
258	H	A	0.7507
259	F	A	0.9097
260	G	A	0.4371
261	I	A	0.7660
262	Q	A	-0.3182
263	E	A	-1.4383
264	G	A	-1.4402
265	T	A	-1.1097
266	T	A	-0.8732
267	E	A	0.0000
268	A	A	0.0000
269	L	A	0.0000
270	L	A	0.0000
271	Y	A	0.0000
272	S	A	0.0000
273	G	A	0.0000
274	V	A	0.0000
275	F	A	0.0000
276	V	A	0.0000
277	E	A	0.0000
278	D	A	-0.2592
279	A	A	0.0000
280	S	A	-0.8944
281	H	A	-1.2037
282	G	A	0.0000
283	I	A	0.0000
284	S	A	0.2209
285	V	A	0.0000
286	G	A	0.0000
287	Y	A	0.7799
288	G	A	0.3368
289	L	A	1.0611
290	T	A	0.4418
291	I	A	0.5350
292	P	A	-0.3401
293	A	A	-0.4597
294	L	A	-0.6935
295	H	A	-1.5471
296	S	A	-1.2408
297	S	A	-0.7228