Project name: 551037ec42293da

Chain sequence(s)	A: VNYDIIVRHYNYTGKLKLTSVVFILICCFIILENIFVLLTIWKTKKFHRPMYYFIGNLALSDLLAGVAYTANLLLSGATTYKLTPAQWFLREGSMFVALSASVWSLLAIAIERYITMLKMKLHNFRLFLLISACWVISLILGGLPIMGWNCISALSSCSTVLPLYHKHYILFCTTVFTLLLLSIVILYCRIYSLVRTRSRRLTFKSLALLKTVIIVLSVFIACWAPLFILLLLDVGCKVKTCDILFRAEYFLVLAVLNSGTNPIIYTLTNKEMRRAFIRI
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                                          (00:04:11)
[INFO]       Main:     Simulation completed successfully.                                          (00:04:13)

• Minimal score value: -3.4141
• Maximal score value: 3.2711
• Average score: 0.2753
• Total score value: 77.0951

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
20	V	A	1.3471
21	N	A	-0.1479
22	Y	A	0.0795
23	D	A	-1.5208
24	I	A	-0.2816
25	I	A	0.0000
26	V	A	-1.0129
27	R	A	-1.7560
28	H	A	0.0000
29	Y	A	0.0000
30	N	A	-1.3761
31	Y	A	-0.7083
32	T	A	0.0000
33	G	A	-0.7643
34	K	A	-0.0866
35	L	A	0.4411
46	K	A	-0.5481
47	L	A	1.3772
48	T	A	0.9682
49	S	A	1.4301
50	V	A	2.4689
51	V	A	2.1696
52	F	A	0.0000
53	I	A	2.3983
54	L	A	2.5067
55	I	A	2.3547
56	C	A	0.0000
57	C	A	2.4745
58	F	A	2.9743
59	I	A	0.0000
60	I	A	2.5880
61	L	A	2.5400
62	E	A	1.1830
63	N	A	0.0000
64	I	A	2.2214
65	F	A	2.3376
66	V	A	0.0000
67	L	A	0.0000
68	L	A	2.1089
69	T	A	0.0000
70	I	A	0.0000
71	W	A	-0.3541
72	K	A	-1.6611
73	T	A	-2.0661
74	K	A	-3.3443
75	K	A	-3.4141
76	F	A	0.0000
77	H	A	-2.7848
78	R	A	-2.5622
79	P	A	-0.9894
80	M	A	-0.2806
81	Y	A	-0.2614
82	Y	A	0.2506
83	F	A	0.0000
84	I	A	0.6310
85	G	A	0.0000
86	N	A	0.4077
87	L	A	0.0000
88	A	A	0.0000
89	L	A	1.1265
90	S	A	0.0000
91	D	A	0.0000
92	L	A	1.5517
93	L	A	1.5033
94	A	A	0.0000
95	G	A	0.0000
96	V	A	1.5960
97	A	A	0.6819
98	Y	A	0.0000
99	T	A	1.2447
100	A	A	0.8120
101	N	A	0.4084
102	L	A	1.0834
103	L	A	1.9820
104	L	A	1.0610
105	S	A	0.2512
106	G	A	-0.3109
107	A	A	-0.2623
108	T	A	-0.4128
109	T	A	-0.3686
110	Y	A	-0.4388
111	K	A	-1.4266
112	L	A	-0.4644
113	T	A	-0.1022
114	P	A	0.0000
115	A	A	0.5591
116	Q	A	-0.6390
117	W	A	0.0000
118	F	A	0.0000
119	L	A	1.0115
120	R	A	-0.4762
121	E	A	0.0000
122	G	A	0.6911
123	S	A	0.3718
124	M	A	0.0000
125	F	A	0.8769
126	V	A	1.2665
127	A	A	0.0000
128	L	A	0.5120
129	S	A	0.7383
130	A	A	0.0000
131	S	A	0.0000
132	V	A	0.0000
133	W	A	0.5207
134	S	A	0.0000
135	L	A	0.0000
136	L	A	0.3836
137	A	A	0.0000
138	I	A	0.0000
139	A	A	0.0000
140	I	A	0.4163
141	E	A	-0.2571
142	R	A	-0.1663
143	Y	A	0.2754
144	I	A	0.5519
145	T	A	0.0395
146	M	A	0.3247
147	L	A	0.0370
148	K	A	-1.1064
149	M	A	-0.1722
150	K	A	-0.9962
151	L	A	0.1594
152	H	A	-0.8001
157	N	A	-0.4103
158	F	A	1.1419
159	R	A	-0.5093
160	L	A	0.0000
161	F	A	2.0196
162	L	A	1.2138
163	L	A	0.0000
164	I	A	1.1860
165	S	A	1.2482
166	A	A	1.3404
167	C	A	0.0000
168	W	A	2.1489
169	V	A	2.8619
170	I	A	2.5277
171	S	A	0.0000
172	L	A	2.9164
173	I	A	3.2711
174	L	A	2.0082
175	G	A	0.0000
176	G	A	1.8613
177	L	A	1.6473
178	P	A	0.0000
179	I	A	2.5765
180	M	A	1.8510
181	G	A	0.7898
182	W	A	0.4849
183	N	A	-0.0227
184	C	A	0.0000
185	I	A	0.2529
186	S	A	0.1137
187	A	A	0.1305
188	L	A	0.2659
189	S	A	0.1088
190	S	A	-0.4220
191	C	A	0.0000
192	S	A	-0.5002
193	T	A	-0.2979
194	V	A	0.3019
195	L	A	0.1606
196	P	A	0.0000
197	L	A	0.0000
198	Y	A	0.0000
199	H	A	-1.1402
200	K	A	-1.5223
201	H	A	-1.1146
202	Y	A	0.0000
203	I	A	0.0000
204	L	A	0.6015
205	F	A	0.7900
206	C	A	1.1456
207	T	A	1.3590
208	T	A	1.1346
209	V	A	1.3062
210	F	A	1.4755
211	T	A	1.5345
212	L	A	2.3774
213	L	A	1.7786
214	L	A	2.0883
215	L	A	2.6506
216	S	A	1.8189
217	I	A	0.0000
218	V	A	1.6109
219	I	A	1.4969
220	L	A	0.8584
221	Y	A	0.0000
222	C	A	0.6194
223	R	A	-0.6258
224	I	A	0.0000
225	Y	A	0.2685
226	S	A	-0.5844
227	L	A	-0.5152
228	V	A	-0.6043
229	R	A	-1.9710
230	T	A	-1.7452
231	R	A	-1.6549
232	S	A	-1.7745
233	R	A	-2.8554
234	R	A	-2.3364
235	L	A	0.4322
236	T	A	0.9264
237	F	A	2.2536
250	K	A	-1.6487
251	S	A	-1.3152
252	L	A	-0.5638
253	A	A	-0.3658
254	L	A	0.6301
255	L	A	1.5511
256	K	A	-0.0040
257	T	A	0.8296
258	V	A	1.6401
259	I	A	2.4018
260	I	A	1.5991
261	V	A	1.3772
262	L	A	1.5427
263	S	A	1.2200
264	V	A	1.1418
265	F	A	0.0000
266	I	A	0.9981
267	A	A	0.6158
268	C	A	0.7898
269	W	A	0.0000
270	A	A	1.1087
271	P	A	1.4633
272	L	A	1.5549
273	F	A	2.0157
274	I	A	2.8250
275	L	A	0.0000
276	L	A	1.7063
277	L	A	2.0417
278	L	A	1.7204
279	D	A	0.0000
280	V	A	0.0000
281	G	A	-0.3203
282	C	A	-0.9583
283	K	A	-1.9164
284	V	A	-1.3791
285	K	A	-2.2197
286	T	A	-1.4516
287	C	A	-0.8082
288	D	A	-1.2114
289	I	A	0.4540
290	L	A	0.0000
291	F	A	0.5263
292	R	A	-0.9632
293	A	A	-0.3307
294	E	A	-1.2867
295	Y	A	0.0343
296	F	A	0.6818
297	L	A	0.5082
298	V	A	0.7725
299	L	A	1.0609
300	A	A	0.0000
301	V	A	0.0000
302	L	A	1.0378
303	N	A	0.0000
304	S	A	0.0000
305	G	A	0.6678
306	T	A	0.2322
307	N	A	0.0000
308	P	A	0.0000
309	I	A	0.7166
310	I	A	0.0000
311	Y	A	0.7540
312	T	A	0.0000
313	L	A	0.4217
314	T	A	-0.4163
315	N	A	-1.7557
316	K	A	-3.2852
317	E	A	-3.2720
318	M	A	0.0000
319	R	A	-2.8043
320	R	A	-3.0288
321	A	A	-1.1806
322	F	A	0.3790
323	I	A	0.9413
324	R	A	0.1217
325	I	A	2.1728