Project name: 12_i14e7_x4e7_x11e6_i20e6

Chain sequence(s)	A: AAYRAHYNIVTFAAYTLQDIVLHLAAYLLMGTLGIVAAYLPARRAEPQAAYLLCHEQLSDSEEENDGPGPGQSTHVDIRTLEDLLMGPGPGTPTLHEYMLDLQPETGPGPGLQDIVLHLEPQNEIPGPGPGAEKLRHLNEKRRFHNGPGPGLDKKQRFHNIRGRWTGPGPGNPAEKLRHLNEKRRFGPGPGSKISEYRHYCYSLYGGPGPGVYDFAFRDLAAYRFHNIAGHYAAYCYSLYGTTLAAYKTVLELTEVAAY
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                                          (00:02:57)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:59)

• Minimal score value: -4.4816
• Maximal score value: 3.6252
• Average score: -0.2498
• Total score value: -64.7108

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	-0.2668
2	A	A	-0.0056
3	Y	A	0.4056
4	R	A	-0.8656
5	A	A	-0.0518
6	H	A	0.5511
7	Y	A	1.6003
8	N	A	1.2411
9	I	A	3.1646
10	V	A	3.1212
11	T	A	2.7924
12	F	A	3.5929
13	A	A	2.6218
14	A	A	2.1635
15	Y	A	2.5072
16	T	A	1.9817
17	L	A	2.3892
18	Q	A	1.0685
19	D	A	0.5136
20	I	A	2.7154
21	V	A	2.9377
22	L	A	2.4043
23	H	A	1.6856
24	L	A	2.9819
25	A	A	2.6251
26	A	A	2.5719
27	Y	A	3.2676
28	L	A	3.1948
29	L	A	3.2085
30	M	A	3.2922
31	G	A	2.4327
32	T	A	2.7240
33	L	A	3.4639
34	G	A	2.4372
35	I	A	3.6252
36	V	A	3.5793
37	A	A	2.3229
38	A	A	2.2055
39	Y	A	2.2430
40	L	A	1.2121
41	P	A	-0.3502
42	A	A	-1.0032
43	R	A	-2.6548
44	R	A	-2.9957
45	A	A	-2.4198
46	E	A	-3.2170
47	P	A	-1.9830
48	Q	A	-1.2776
49	A	A	0.0960
50	A	A	1.0591
51	Y	A	2.2342
52	L	A	2.4400
53	L	A	2.1284
54	C	A	1.2103
55	H	A	-0.4831
56	E	A	-1.8469
57	Q	A	-1.5930
58	L	A	-0.2591
59	S	A	-1.4485
60	D	A	-2.6995
61	S	A	-2.4377
62	E	A	-3.9378
63	E	A	-4.3616
64	E	A	-4.3017
65	N	A	-3.8065
66	D	A	-3.3097
67	G	A	-2.0291
68	P	A	-1.1497
69	G	A	-0.9006
70	P	A	-1.0159
71	G	A	-1.3160
72	Q	A	-1.6115
73	S	A	-1.2222
74	T	A	-0.5483
75	H	A	-0.6384
76	V	A	0.5184
77	D	A	-0.4683
78	I	A	0.7731
79	R	A	-0.8010
80	T	A	-0.3476
81	L	A	0.0555
82	E	A	-1.5480
83	D	A	-1.3543
84	L	A	1.2839
85	L	A	2.1970
86	M	A	1.9129
87	G	A	0.2465
88	P	A	-0.6115
89	G	A	-0.9329
90	P	A	-0.8184
91	G	A	-0.8216
92	T	A	-0.5035
93	P	A	-0.1175
94	T	A	0.1724
95	L	A	0.6281
96	H	A	-0.7137
97	E	A	-0.7960
98	Y	A	1.1645
99	M	A	1.4542
100	L	A	1.3133
101	D	A	-0.1717
102	L	A	0.3545
103	Q	A	-1.1039
104	P	A	-1.4441
105	E	A	-2.3177
106	T	A	-1.3701
107	G	A	-1.1174
108	P	A	-0.8357
109	G	A	-0.9225
110	P	A	-0.5344
111	G	A	-0.2649
112	L	A	0.3004
113	Q	A	-0.8584
114	D	A	-0.4484
115	I	A	2.0227
116	V	A	2.8430
117	L	A	2.4482
118	H	A	0.6908
119	L	A	0.5722
120	E	A	-1.6578
121	P	A	-1.9835
122	Q	A	-2.4357
123	N	A	-2.5221
124	E	A	-1.9269
125	I	A	0.3792
126	P	A	-0.2263
127	G	A	-0.5085
128	P	A	-0.9407
129	G	A	-1.2755
130	P	A	-1.4894
131	G	A	-1.7898
132	A	A	-2.1309
133	E	A	-3.4656
134	K	A	-3.0378
135	L	A	-1.9690
136	R	A	-3.9158
137	H	A	-3.8912
138	L	A	-2.9312
139	N	A	-3.7269
140	E	A	-4.2785
141	K	A	-4.1380
142	R	A	-4.4816
143	R	A	-3.8553
144	F	A	-1.5137
145	H	A	-2.6381
146	N	A	-2.5458
147	G	A	-1.5194
148	P	A	-1.1183
149	G	A	-1.1528
150	P	A	-0.8854
151	G	A	-1.1701
152	L	A	-0.7549
153	D	A	-2.1472
154	K	A	-3.1009
155	K	A	-3.0854
156	Q	A	-2.8739
157	R	A	-3.0891
158	F	A	-1.3257
159	H	A	-2.6984
160	N	A	-2.6910
161	I	A	-1.1564
162	R	A	-2.3189
163	G	A	-1.9780
164	R	A	-2.2120
165	W	A	-0.3426
166	T	A	-0.6632
167	G	A	-0.7054
168	P	A	-0.6777
169	G	A	-1.0765
170	P	A	-1.1586
171	G	A	-1.8213
172	N	A	-2.3709
173	P	A	-1.7950
174	A	A	-2.0637
175	E	A	-3.2817
176	K	A	-2.9713
177	L	A	-1.4717
178	R	A	-3.2853
179	H	A	-3.1293
180	L	A	-1.7157
181	N	A	-3.3875
182	E	A	-4.0426
183	K	A	-3.9447
184	R	A	-3.7816
185	R	A	-3.0722
186	F	A	-0.3974
187	G	A	-0.8162
188	P	A	-0.6352
189	G	A	-0.7615
190	P	A	-0.9721
191	G	A	-0.9405
192	S	A	-1.1312
193	K	A	-1.3936
194	I	A	0.3391
195	S	A	-0.8218
196	E	A	-1.4659
197	Y	A	0.2006
198	R	A	-1.2334
199	H	A	-0.5499
200	Y	A	1.1766
201	C	A	1.4079
202	Y	A	1.9383
203	S	A	1.4147
204	L	A	2.4828
205	Y	A	2.1831
206	G	A	0.5108
207	G	A	-0.3027
208	P	A	-0.7051
209	G	A	-0.3814
210	P	A	-0.1116
211	G	A	0.8689
212	V	A	2.6979
213	Y	A	2.5070
214	D	A	1.2666
215	F	A	2.0987
216	A	A	1.5943
217	F	A	1.9057
218	R	A	-0.7499
219	D	A	-0.7577
220	L	A	0.5167
221	A	A	0.0554
222	A	A	-0.0591
223	Y	A	0.3908
224	R	A	-0.7770
225	F	A	1.0077
226	H	A	-0.2434
227	N	A	-0.7555
228	I	A	1.1506
229	A	A	0.6924
230	G	A	-0.2845
231	H	A	0.2474
232	Y	A	1.4923
233	A	A	1.1677
234	A	A	1.3240
235	Y	A	1.8375
236	C	A	1.9235
237	Y	A	2.3004
238	S	A	1.5770
239	L	A	2.0856
240	Y	A	2.0741
241	G	A	1.4584
242	T	A	0.8844
243	T	A	1.1855
244	L	A	1.7519
245	A	A	0.7699
246	A	A	0.8655
247	Y	A	1.5453
248	K	A	-0.1284
249	T	A	0.2759
250	V	A	1.6542
251	L	A	0.5705
252	E	A	-0.7196
253	L	A	1.3105
254	T	A	0.4262
255	E	A	-0.4641
256	V	A	1.6083
257	A	A	0.9663
258	A	A	0.8448
259	Y	A	1.4932