Project name: 666

Chain sequence(s)	A: MHHHHHHENLYFQGAAGERGAPGFRGPAGPNGIPGEKGPAGERGAAGERGAPGFRGPAGPNGIPGEKGPAGERGAAGERGAPGFRGPAGPNGIPGEKGPAGERGGGGSGGGGSGGGGSSGPSEGGSSSTMYVSGPPGPPGPPGPPGSISSSGQEIQQYISEYMQSDSIRSYLSGVQGPPGPPGPPGPVTTITGETFDYSELASHVVSYLRTSGYGVSLFSSSISSEDILAVLQRDDVRQYLRQYLM
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                                          (00:02:30)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:33)

• Minimal score value: -3.7011
• Maximal score value: 2.6106
• Average score: -0.9136
• Total score value: -224.7471

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	M	A	0.2157
2	H	A	-1.3413
3	H	A	-2.0793
4	H	A	-2.4903
5	H	A	-2.8330
6	H	A	-3.0056
7	H	A	-2.8953
8	E	A	-2.7011
9	N	A	-1.1911
10	L	A	1.3015
11	Y	A	2.0118
12	F	A	2.1457
13	Q	A	0.1160
14	G	A	-0.3701
15	A	A	-0.5447
16	A	A	-1.1378
17	G	A	-1.8868
18	E	A	-3.0283
19	R	A	-3.0802
20	G	A	-1.9741
21	A	A	-0.8504
22	P	A	-0.6205
23	G	A	-0.1927
24	F	A	0.6458
25	R	A	-1.2972
26	G	A	-1.0309
27	P	A	-0.7709
28	A	A	-0.9036
29	G	A	-1.0468
30	P	A	-1.0143
31	N	A	-1.3501
32	G	A	-0.3625
33	I	A	1.2356
34	P	A	-0.4679
35	G	A	-1.4816
36	E	A	-3.0192
37	K	A	-3.0213
38	G	A	-1.9152
39	P	A	-0.9227
40	A	A	-1.1875
41	G	A	-1.8903
42	E	A	-3.0207
43	R	A	-3.0181
44	G	A	-1.8437
45	A	A	-0.6650
46	A	A	-1.2259
47	G	A	-1.8727
48	E	A	-3.2940
49	R	A	-3.7011
50	G	A	-2.2332
51	A	A	-1.3394
52	P	A	-0.7660
53	G	A	-0.2935
54	F	A	0.4300
55	R	A	-1.3369
56	G	A	-1.1027
57	P	A	-0.8171
58	A	A	-0.9745
59	G	A	-1.2072
60	P	A	-1.0081
61	N	A	-1.2692
62	G	A	-0.3878
63	I	A	1.2163
64	P	A	-0.4912
65	G	A	-1.6819
66	E	A	-3.0257
67	K	A	-2.9903
68	G	A	-1.9046
69	P	A	-0.9448
70	A	A	-1.2556
71	G	A	-1.8795
72	E	A	-3.0197
73	R	A	-3.0195
74	G	A	-1.8115
75	A	A	-0.6641
76	A	A	-1.1393
77	G	A	-2.3927
78	E	A	-3.4409
79	R	A	-3.3751
80	G	A	-2.2686
81	A	A	-0.7924
82	P	A	-0.6508
83	G	A	-0.2620
84	F	A	0.6348
85	R	A	-1.1220
86	G	A	-1.1073
87	P	A	-0.8107
88	A	A	-0.8847
89	G	A	-1.0576
90	P	A	-0.9733
91	N	A	-1.2771
92	G	A	-0.3629
93	I	A	0.9818
94	P	A	-0.5039
95	G	A	-1.5092
96	E	A	-2.8243
97	K	A	-3.0058
98	G	A	-1.9782
99	P	A	-1.4267
100	A	A	-1.3272
101	G	A	-1.9477
102	E	A	-3.1315
103	R	A	-3.2339
104	G	A	-2.2798
105	G	A	-1.7585
106	G	A	-1.3888
107	G	A	-1.1229
108	S	A	-0.9417
109	G	A	-1.0638
110	G	A	-1.1240
111	G	A	-1.0715
112	G	A	-1.0120
113	S	A	-0.8616
114	G	A	-1.0035
115	G	A	-1.0711
116	G	A	-1.0613
117	G	A	-0.9949
118	S	A	-0.7350
119	S	A	-0.7198
120	G	A	-1.0508
121	P	A	-1.1561
122	S	A	-1.5822
123	E	A	-2.4113
124	G	A	-1.7550
125	G	A	-1.3666
126	S	A	-0.9739
127	S	A	-0.4952
128	S	A	0.0410
129	T	A	0.8883
130	M	A	2.0741
131	Y	A	2.5108
132	V	A	2.4633
133	S	A	0.8698
134	G	A	-0.1893
135	P	A	-0.5686
136	P	A	-0.9390
137	G	A	-1.1288
138	P	A	-0.9944
139	P	A	-0.9623
140	G	A	-1.0704
141	P	A	-0.6795
142	P	A	-0.8840
143	G	A	-1.1633
144	P	A	-0.7045
145	P	A	-0.6012
146	G	A	-0.4223
147	S	A	0.3215
148	I	A	1.1862
149	S	A	0.4533
150	S	A	-0.3707
151	S	A	-1.1588
152	G	A	-1.8559
153	Q	A	-2.6832
154	E	A	-2.4460
155	I	A	-0.8907
156	Q	A	-2.0973
157	Q	A	-2.2874
158	Y	A	-0.5644
159	I	A	0.0740
160	S	A	-1.0289
161	E	A	-1.7607
162	Y	A	-0.6759
163	M	A	-0.6350
164	Q	A	-2.0856
165	S	A	-2.1797
166	D	A	-2.5104
167	S	A	-1.4201
168	I	A	0.0000
169	R	A	-2.1640
170	S	A	-1.0503
171	Y	A	0.0958
172	L	A	0.2653
173	S	A	0.0122
174	G	A	0.2389
175	V	A	1.1076
176	Q	A	-0.5856
177	G	A	-1.0339
178	P	A	-0.9753
179	P	A	-1.2228
180	G	A	-1.2497
181	P	A	-0.9364
182	P	A	-0.9167
183	G	A	-1.1822
184	P	A	-0.9026
185	P	A	-0.4724
186	G	A	-0.6025
187	P	A	0.1628
188	V	A	1.5317
189	T	A	0.7484
190	T	A	0.3955
191	I	A	1.4614
192	T	A	0.1236
193	G	A	-0.7573
194	E	A	-1.5848
195	T	A	-0.2603
196	F	A	0.2326
197	D	A	-0.8083
198	Y	A	0.4205
199	S	A	-0.5394
200	E	A	-1.3515
201	L	A	-0.0519
202	A	A	-0.0974
203	S	A	-0.3106
204	H	A	-0.3562
205	V	A	0.0937
206	V	A	0.3310
207	S	A	-0.4317
208	Y	A	-0.2439
209	L	A	0.0000
210	R	A	-1.8055
211	T	A	-0.9928
212	S	A	-0.8317
213	G	A	-0.9975
214	Y	A	-0.5493
215	G	A	-0.6171
216	V	A	0.5866
217	S	A	1.1105
218	L	A	2.5217
219	F	A	2.6106
220	S	A	1.2754
221	S	A	0.4213
222	S	A	0.3743
223	I	A	1.1050
224	S	A	-0.0155
225	S	A	-0.2271
226	E	A	-1.2769
227	D	A	-0.7249
228	I	A	0.8626
229	L	A	0.7502
230	A	A	-0.2512
231	V	A	0.0000
232	L	A	-0.5839
233	Q	A	-1.7115
234	R	A	-2.5605
235	D	A	-3.4249
236	D	A	-2.7473
237	V	A	0.0000
238	R	A	-3.4065
239	Q	A	-3.0880
240	Y	A	-1.6078
241	L	A	-1.1049
242	R	A	-1.8323
243	Q	A	-1.2407
244	Y	A	0.3712
245	L	A	1.4395
246	M	A	1.2064