Project name: eeda61c1658968d

Chain sequence(s)	A: AKVAAWTLKAAACEAAAKVARAGGNSDATAGPGPGQADWDTGHRIDTAGPREGPGPGERVNGRIPLPVDWRWPWGGPGPGDDYEGIGGHESFRGPGPGLAAGSIKPIRGDILELRWHEANGPGPGSIKPIRGDILELRWHGPGPGRNTIERISRRFGIRVGPGPGELRWHEANNHFRVLFGPGPGRGDILELRWHEANNHGPGPGATAEIAAALAARQADAAYIPLPVDWRWAAYLPVDWRWPWAAYMADRIVARAAYLVLEVPTLRAAYSVDGRPVFK
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                                          (00:03:32)
[INFO]       Main:     Simulation completed successfully.                                          (00:03:34)

• Minimal score value: -3.2411
• Maximal score value: 3.1459
• Average score: -0.7017
• Total score value: -195.7861

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	-0.0331
2	K	A	-0.4995
3	V	A	1.4230
4	A	A	0.9193
5	A	A	0.7060
6	W	A	1.2982
7	T	A	1.0838
8	L	A	1.3051
9	K	A	-0.3531
10	A	A	-0.1383
11	A	A	-0.1123
12	A	A	-0.3229
13	C	A	-0.5212
14	E	A	-1.6412
15	A	A	-0.8355
16	A	A	-0.3892
17	A	A	-1.0860
18	K	A	-1.8326
19	V	A	0.0232
20	A	A	-0.9210
21	R	A	-2.2386
22	A	A	-1.2885
23	G	A	-1.4407
24	G	A	-1.8445
25	N	A	-2.4069
26	S	A	-1.9266
27	D	A	-2.2404
28	A	A	-1.0756
29	T	A	-0.6337
30	A	A	-0.4776
31	G	A	-0.7070
32	P	A	-0.8047
33	G	A	-0.9127
34	P	A	-1.0589
35	G	A	-1.4873
36	Q	A	-1.7551
37	A	A	-1.4659
38	D	A	-1.9646
39	W	A	-0.6883
40	D	A	-2.0835
41	T	A	-1.3691
42	G	A	-1.6485
43	H	A	-2.0275
44	R	A	-2.1186
45	I	A	-0.0771
46	D	A	-1.4575
47	T	A	-0.7956
48	A	A	-0.7739
49	G	A	-1.4369
50	P	A	-1.9449
51	R	A	-3.1154
52	E	A	-3.1901
53	G	A	-2.1326
54	P	A	-1.7611
55	G	A	-1.5569
56	P	A	-1.5435
57	G	A	-1.9185
58	E	A	-2.9173
59	R	A	-2.5356
60	V	A	-0.6217
61	N	A	-1.6038
62	G	A	-1.6715
63	R	A	-1.2822
64	I	A	1.0117
65	P	A	0.8145
66	L	A	1.8287
67	P	A	1.1902
68	V	A	1.2243
69	D	A	-0.6019
70	W	A	0.0761
71	R	A	-0.9252
72	W	A	0.4465
73	P	A	0.3738
74	W	A	0.8470
75	G	A	-0.0516
76	G	A	-0.7068
77	P	A	-0.9187
78	G	A	-1.3135
79	P	A	-1.5537
80	G	A	-1.9246
81	D	A	-2.9128
82	D	A	-2.7261
83	Y	A	-0.8853
84	E	A	-1.9048
85	G	A	-0.2917
86	I	A	0.8041
87	G	A	-0.5985
88	G	A	-1.2632
89	H	A	-1.7498
90	E	A	-2.3485
91	S	A	-0.9576
92	F	A	0.2806
93	R	A	-1.4442
94	G	A	-0.8570
95	P	A	-0.6611
96	G	A	-0.8467
97	P	A	-0.6159
98	G	A	-0.4552
99	L	A	0.4029
100	A	A	-0.2934
101	A	A	-0.3136
102	G	A	-0.6518
103	S	A	-0.2116
104	I	A	0.9387
105	K	A	-0.3648
106	P	A	-0.6330
107	I	A	-0.9301
108	R	A	-2.3802
109	G	A	-1.9049
110	D	A	-2.2741
111	I	A	-0.9515
112	L	A	0.3143
113	E	A	0.0000
114	L	A	-0.2691
115	R	A	-1.5327
116	W	A	0.0000
117	H	A	-1.4824
118	E	A	-1.5754
119	A	A	-1.1392
120	N	A	-1.8159
121	G	A	-1.6927
122	P	A	-1.3976
123	G	A	-1.3798
124	P	A	-1.5272
125	G	A	0.0000
126	S	A	-1.7721
127	I	A	0.0000
128	K	A	-1.3997
129	P	A	-0.6396
130	I	A	-0.0955
131	R	A	-1.9944
132	G	A	-1.6648
133	D	A	-1.8246
134	I	A	-0.5119
135	L	A	-0.4390
136	E	A	-1.0482
137	L	A	-1.2332
138	R	A	-2.4630
139	W	A	-1.6323
140	H	A	-1.8300
141	G	A	-1.4736
142	P	A	-1.0337
143	G	A	-1.4362
144	P	A	-1.4161
145	G	A	-1.9928
146	R	A	-3.0779
147	N	A	-2.8788
148	T	A	-2.1528
149	I	A	0.0000
150	E	A	-3.2137
151	R	A	-2.6440
152	I	A	0.0000
153	S	A	0.0000
154	R	A	-3.2411
155	R	A	-2.7386
156	F	A	-1.2374
157	G	A	-1.6579
158	I	A	-1.0927
159	R	A	-1.6275
160	V	A	-0.3138
161	G	A	-0.3145
162	P	A	-0.6085
163	G	A	-0.5616
164	P	A	-0.5682
165	G	A	-0.3367
166	E	A	0.0000
167	L	A	0.0000
168	R	A	-1.8403
169	W	A	-2.2175
170	H	A	-2.8795
171	E	A	-3.0775
172	A	A	-1.8822
173	N	A	-2.1603
174	N	A	-2.5563
175	H	A	-2.0535
176	F	A	-1.5344
177	R	A	-0.9211
178	V	A	0.0894
179	L	A	0.5419
180	F	A	0.8056
181	G	A	-0.6833
182	P	A	-1.3279
183	G	A	-1.4157
184	P	A	-1.4375
185	G	A	-2.0192
186	R	A	-2.8543
187	G	A	-1.9193
188	D	A	-1.6200
189	I	A	0.7334
190	L	A	0.1290
191	E	A	-1.5478
192	L	A	-1.1466
193	R	A	-2.2929
194	W	A	-1.5212
195	H	A	-2.2072
196	E	A	-3.0748
197	A	A	-2.0763
198	N	A	-3.0107
199	N	A	-2.7645
200	H	A	-2.5109
201	G	A	-1.6994
202	P	A	-1.2678
203	G	A	-0.9588
204	P	A	-0.7422
205	G	A	-0.8567
206	A	A	-0.5298
207	T	A	-0.2207
208	A	A	-0.3685
209	E	A	-0.6631
210	I	A	1.5405
211	A	A	1.0459
212	A	A	0.3930
213	A	A	0.4591
214	L	A	0.9929
215	A	A	0.0038
216	A	A	-1.0053
217	R	A	-2.3282
218	Q	A	-2.1396
219	A	A	-1.5876
220	D	A	-2.1215
221	A	A	-0.8911
222	A	A	0.2735
223	Y	A	2.1430
224	I	A	2.6864
225	P	A	1.9430
226	L	A	2.2097
227	P	A	1.1971
228	V	A	1.3778
229	D	A	-0.5073
230	W	A	0.2582
231	R	A	-0.7245
232	W	A	1.0087
233	A	A	0.9675
234	A	A	0.9542
235	Y	A	1.6625
236	L	A	1.4381
237	P	A	0.5835
238	V	A	0.6366
239	D	A	-0.4498
240	W	A	0.3383
241	R	A	-0.9048
242	W	A	0.7220
243	P	A	0.6776
244	W	A	1.2245
245	A	A	0.5934
246	A	A	0.5112
247	Y	A	0.8187
248	M	A	0.4792
249	A	A	0.0556
250	D	A	-1.3608
251	R	A	-1.6639
252	I	A	0.2554
253	V	A	0.7889
254	A	A	-0.2423
255	R	A	-0.4669
256	A	A	1.0144
257	A	A	1.5930
258	Y	A	2.5017
259	L	A	2.4905
260	V	A	3.1459
261	L	A	2.6510
262	E	A	1.0239
263	V	A	2.1172
264	P	A	0.6912
265	T	A	0.3443
266	L	A	0.8858
267	R	A	-0.8171
268	A	A	-0.0968
269	A	A	0.6294
270	Y	A	1.0885
271	S	A	0.4563
272	V	A	0.7182
273	D	A	-1.6394
274	G	A	-1.3850
275	R	A	-1.7030
276	P	A	-0.1710
277	V	A	1.7747
278	F	A	1.7041
279	K	A	-0.3131