Project name: 20_x4e7_i20e6_x11e6_i14e7

Chain sequence(s)	A: GPGPGLLCHEQLSDSEEENDGPGPGQSTHVDIRTLEDLLMGPGPGTPTLHEYMLDLQPETGPGPGLQDIVLHLEPQNEIPGPGPGVYDFAFRDLAAYRFHNIAGHYAAYCYSLYGTTLAAYKTVLELTEVAAYAEKLRHLNEKRRFHNGPGPGLDKKQRFHNIRGRWTGPGPGNPAEKLRHLNEKRRFGPGPGSKISEYRHYCYSLYGGPGPGYRAHYNIVTFAAYTLQDIVLHLAAYLLMGTLGIVAAYLPARRAEPQAAY
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                                          (00:02:41)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:43)

• Minimal score value: -4.3888
• Maximal score value: 3.5591
• Average score: -0.3367
• Total score value: -88.2264

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	G	A	-0.7283
2	P	A	-0.7696
3	G	A	-0.9199
4	P	A	-0.3070
5	G	A	0.6572
6	L	A	2.0594
7	L	A	2.0858
8	C	A	0.8007
9	H	A	-1.0566
10	E	A	-2.3375
11	Q	A	-1.8991
12	L	A	-0.1538
13	S	A	-1.0933
14	D	A	-2.3644
15	S	A	-2.4358
16	E	A	-3.6719
17	E	A	-4.3888
18	E	A	-4.2022
19	N	A	-3.6361
20	D	A	-3.3878
21	G	A	-1.8741
22	P	A	-1.3275
23	G	A	-1.3251
24	P	A	-1.0597
25	G	A	-1.3814
26	Q	A	-1.8119
27	S	A	-1.0469
28	T	A	-0.6709
29	H	A	-0.3802
30	V	A	1.2071
31	D	A	0.0189
32	I	A	0.7493
33	R	A	-1.4143
34	T	A	-0.3083
35	L	A	0.7928
36	E	A	-1.0851
37	D	A	-1.0782
38	L	A	1.1909
39	L	A	1.7849
40	M	A	0.9797
41	G	A	-0.1210
42	P	A	-0.6004
43	G	A	-0.7922
44	P	A	-0.8064
45	G	A	-0.8370
46	T	A	-0.3305
47	P	A	-0.1620
48	T	A	0.0290
49	L	A	0.6285
50	H	A	-0.7139
51	E	A	-1.0548
52	Y	A	0.5794
53	M	A	0.8702
54	L	A	0.7751
55	D	A	-0.6731
56	L	A	0.1962
57	Q	A	-1.3357
58	P	A	-1.8705
59	E	A	-2.6215
60	T	A	-1.7439
61	G	A	-1.4792
62	P	A	-0.8678
63	G	A	-0.6927
64	P	A	-0.5549
65	G	A	-0.6846
66	L	A	-0.3178
67	Q	A	-2.0234
68	D	A	-2.3170
69	I	A	-1.0875
70	V	A	-0.3042
71	L	A	0.2524
72	H	A	-0.4150
73	L	A	0.3537
74	E	A	-1.8297
75	P	A	-1.8970
76	Q	A	-2.5034
77	N	A	-2.6019
78	E	A	-1.8564
79	I	A	0.5944
80	P	A	-0.2367
81	G	A	-0.5640
82	P	A	-0.8666
83	G	A	-0.7045
84	P	A	-0.2174
85	G	A	0.2605
86	V	A	1.7992
87	Y	A	1.7339
88	D	A	0.5552
89	F	A	2.0598
90	A	A	0.8147
91	F	A	1.1709
92	R	A	-1.1021
93	D	A	-1.0467
94	L	A	0.9198
95	A	A	0.5274
96	A	A	0.4303
97	Y	A	0.2825
98	R	A	-1.4123
99	F	A	-0.4433
100	H	A	-0.6097
101	N	A	-0.4647
102	I	A	1.1877
103	A	A	0.3166
104	G	A	-0.4060
105	H	A	-0.3075
106	Y	A	0.9243
107	A	A	0.6063
108	A	A	0.8299
109	Y	A	1.8468
110	C	A	1.9129
111	Y	A	2.2396
112	S	A	1.3830
113	L	A	1.9552
114	Y	A	1.4369
115	G	A	0.3575
116	T	A	0.8222
117	T	A	0.6291
118	L	A	1.6125
119	A	A	0.6757
120	A	A	0.8998
121	Y	A	1.0999
122	K	A	-0.2386
123	T	A	0.6196
124	V	A	1.9202
125	L	A	1.6308
126	E	A	-0.1584
127	L	A	1.2531
128	T	A	0.4812
129	E	A	-0.1106
130	V	A	1.3821
131	A	A	0.2614
132	A	A	-0.2941
133	Y	A	0.2567
134	A	A	-0.8681
135	E	A	-2.4962
136	K	A	-2.5752
137	L	A	-1.7450
138	R	A	-3.6617
139	H	A	-3.7552
140	L	A	-2.7165
141	N	A	-3.6295
142	E	A	-4.2318
143	K	A	-3.9981
144	R	A	-4.1857
145	R	A	-3.6000
146	F	A	-1.3180
147	H	A	-2.1401
148	N	A	-2.3427
149	G	A	-1.4839
150	P	A	-1.2370
151	G	A	-0.9181
152	P	A	-0.7196
153	G	A	-0.6364
154	L	A	-0.3685
155	D	A	-2.5410
156	K	A	-3.7095
157	K	A	-3.5100
158	Q	A	-3.4001
159	R	A	-2.6098
160	F	A	-0.0267
161	H	A	-1.1302
162	N	A	-1.3606
163	I	A	-0.0901
164	R	A	-1.9576
165	G	A	-1.8660
166	R	A	-2.0225
167	W	A	-0.0449
168	T	A	-0.0644
169	G	A	-0.7193
170	P	A	-0.6733
171	G	A	-1.0555
172	P	A	-1.1219
173	G	A	-1.8995
174	N	A	-2.3611
175	P	A	-1.9912
176	A	A	-2.0697
177	E	A	-3.4771
178	K	A	-3.2156
179	L	A	-1.8039
180	R	A	-3.5799
181	H	A	-3.6355
182	L	A	-2.9137
183	N	A	-3.5299
184	E	A	-4.1654
185	K	A	-4.1081
186	R	A	-3.8800
187	R	A	-3.0440
188	F	A	-0.5771
189	G	A	-0.9730
190	P	A	-0.8162
191	G	A	-0.7509
192	P	A	-1.0721
193	G	A	-0.9922
194	S	A	-1.0387
195	K	A	-1.2563
196	I	A	0.3362
197	S	A	-0.9322
198	E	A	-1.7215
199	Y	A	0.0832
200	R	A	-1.1581
201	H	A	-0.7786
202	Y	A	1.0382
203	C	A	1.3788
204	Y	A	1.9413
205	S	A	1.5033
206	L	A	2.6227
207	Y	A	2.0119
208	G	A	0.4570
209	G	A	-0.2404
210	P	A	-0.5482
211	G	A	-0.7174
212	P	A	-0.5813
213	G	A	-0.3975
214	Y	A	0.4577
215	R	A	-0.3253
216	A	A	0.2502
217	H	A	0.6443
218	Y	A	1.8719
219	N	A	1.7572
220	I	A	3.0235
221	V	A	2.9626
222	T	A	2.7012
223	F	A	3.5591
224	A	A	2.5431
225	A	A	2.0969
226	Y	A	2.2602
227	T	A	2.0027
228	L	A	2.4352
229	Q	A	1.1276
230	D	A	0.6180
231	I	A	2.8169
232	V	A	3.0513
233	L	A	2.4741
234	H	A	1.8435
235	L	A	3.2630
236	A	A	2.8196
237	A	A	2.7568
238	Y	A	3.3761
239	L	A	3.2782
240	L	A	3.4476
241	M	A	3.2476
242	G	A	2.2695
243	T	A	2.5016
244	L	A	2.9914
245	G	A	2.0813
246	I	A	3.3188
247	V	A	3.2775
248	A	A	2.2311
249	A	A	2.1950
250	Y	A	2.9926
251	L	A	2.4120
252	P	A	0.2205
253	A	A	-0.8900
254	R	A	-2.8020
255	R	A	-3.3175
256	A	A	-2.4988
257	E	A	-3.0550
258	P	A	-1.9252
259	Q	A	-1.5965
260	A	A	-0.4860
261	A	A	0.3674
262	Y	A	1.2030