Project name: Example

Chain sequence(s)	A: EVETFAFQAEIAQLMSLIINTFYSNKEIFLRELISNASDALDKIRYESLTDPSKLDSGKELKIDIIPNPQERTLTLVDTGIGMTKADLINNLGTIAKSGTKAFMEALQAGADISMIGQFGVGFYSAYLVAEKVVVITKHNDDEQYAWESSAGGSFTVRADHGEPIGRGTKVILHLKEDQTEYLEERRVKEVVKKHSQFIGYPITLYLEKE
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                                          (00:03:29)
[INFO]       Main:     Simulation completed successfully.                                          (00:03:30)

• Minimal score value: -3.2771
• Maximal score value: 1.6769
• Average score: -0.7749
• Total score value: -161.9627

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
16	E	A	-1.5966
17	V	A	-0.2230
18	E	A	-1.3862
19	T	A	-0.5701
20	F	A	0.1180
21	A	A	0.1040
22	F	A	-0.3457
23	Q	A	-0.8067
24	A	A	-0.7518
25	E	A	-1.3215
26	I	A	0.0000
27	A	A	-0.8681
28	Q	A	-1.2778
29	L	A	0.0000
30	M	A	0.0000
31	S	A	-0.5496
32	L	A	-0.0123
33	I	A	0.0000
34	I	A	0.3665
35	N	A	-0.2686
36	T	A	0.6384
37	F	A	1.6769
38	Y	A	0.3608
39	S	A	-0.4291
40	N	A	-1.3437
41	K	A	-1.0814
42	E	A	-0.9650
43	I	A	0.0000
44	F	A	0.0000
45	L	A	0.0000
46	R	A	-1.3054
47	E	A	0.0000
48	L	A	0.0000
49	I	A	0.0000
50	S	A	-1.2243
51	N	A	-1.9816
52	A	A	0.0000
53	S	A	-1.5703
54	D	A	-2.6686
55	A	A	-1.6579
56	L	A	0.0000
57	D	A	-1.8306
58	K	A	-1.7713
59	I	A	0.0000
60	R	A	-1.2187
61	Y	A	0.1306
62	E	A	-1.0380
63	S	A	-0.6276
64	L	A	0.9386
65	T	A	-0.0634
66	D	A	-0.9053
67	P	A	-1.0994
68	S	A	-1.3789
69	K	A	-1.9896
70	L	A	-2.3664
71	D	A	-2.4934
72	S	A	-1.8048
73	G	A	-2.1325
74	K	A	-3.2054
75	E	A	-2.7540
76	L	A	-1.6636
77	K	A	-1.1504
78	I	A	0.0000
79	D	A	0.0000
80	I	A	0.0000
81	I	A	0.7976
82	P	A	0.0000
83	N	A	-1.7257
84	P	A	-2.1774
85	Q	A	-2.6529
86	E	A	-2.8461
87	R	A	-2.2875
88	T	A	0.0000
89	L	A	0.0000
90	T	A	0.2050
91	L	A	0.0000
92	V	A	0.1657
93	D	A	0.0000
94	T	A	-0.7415
95	G	A	0.0000
96	I	A	-0.7343
97	G	A	0.0000
98	M	A	-0.5664
99	T	A	-1.3362
100	K	A	-1.6678
101	A	A	-0.9188
102	D	A	-0.5854
103	L	A	-0.4394
104	I	A	-0.6037
105	N	A	-1.2221
106	N	A	-0.7791
107	L	A	0.3974
108	G	A	-0.0540
109	T	A	0.1150
110	I	A	1.3865
111	A	A	0.1782
112	K	A	-0.7301
113	S	A	-0.5826
114	G	A	-0.5652
115	T	A	0.0000
116	K	A	-1.8078
117	A	A	-1.4011
118	F	A	0.0000
119	M	A	-1.5993
120	E	A	-2.3909
121	A	A	-1.4598
122	L	A	-1.2899
123	Q	A	-1.9301
124	A	A	-1.2021
125	G	A	-1.2520
126	A	A	-1.0686
127	D	A	-1.1990
128	I	A	0.0000
129	S	A	-0.7714
130	M	A	-0.3288
131	I	A	0.0000
132	G	A	-1.0249
133	Q	A	-1.2646
134	F	A	-0.8121
135	G	A	-0.6055
136	V	A	0.0000
137	G	A	-0.4929
138	F	A	-0.0154
139	Y	A	0.3046
140	S	A	0.0000
141	A	A	0.0000
142	Y	A	0.0000
143	L	A	0.0000
144	V	A	0.0000
145	A	A	0.0000
146	E	A	-2.3747
147	K	A	-1.6041
148	V	A	0.0000
149	V	A	-0.0568
150	V	A	0.0000
151	I	A	0.0269
152	T	A	0.0000
153	K	A	-1.3416
154	H	A	-1.6713
155	N	A	-2.2099
156	D	A	-2.7069
157	D	A	-2.5838
158	E	A	-2.7253
159	Q	A	0.0000
160	Y	A	0.0000
161	A	A	0.0000
162	W	A	0.0000
163	E	A	-0.2990
164	S	A	0.0000
165	S	A	-1.1669
166	A	A	-0.7823
167	G	A	-0.7010
168	G	A	-0.5538
169	S	A	-0.2463
170	F	A	0.0000
171	T	A	-0.4429
172	V	A	0.0000
173	R	A	-1.3783
174	A	A	-1.3990
175	D	A	-1.7312
176	H	A	-2.0101
177	G	A	-1.7847
178	E	A	-2.3110
179	P	A	-1.5095
180	I	A	-0.4390
181	G	A	-0.7680
182	R	A	0.0000
183	G	A	0.0000
184	T	A	0.0000
185	K	A	-0.1617
186	V	A	0.0000
187	I	A	0.1239
188	L	A	0.0000
189	H	A	-1.5609
190	L	A	0.0000
191	K	A	-2.5327
192	E	A	-3.2771
193	D	A	-2.9452
194	Q	A	0.0000
195	T	A	-1.8974
196	E	A	-2.0944
197	Y	A	0.0000
198	L	A	0.0000
199	E	A	-1.7648
200	E	A	-1.6793
201	R	A	-2.8956
202	R	A	-2.4797
203	V	A	0.0000
204	K	A	-2.9721
205	E	A	-3.1634
206	V	A	0.0000
207	V	A	0.0000
208	K	A	-3.0286
209	K	A	-3.0173
210	H	A	-1.8692
211	S	A	0.0000
212	Q	A	-1.3527
213	F	A	1.0471
214	I	A	0.8284
215	G	A	0.0615
216	Y	A	-0.1102
217	P	A	-0.1632
218	I	A	0.1308
219	T	A	0.4412
220	L	A	0.4741
221	Y	A	1.1294
222	L	A	0.8697
223	E	A	-0.8153
224	K	A	-1.5703