Project name: 5a41ad7e42a2986

Chain sequence(s)	A: VLQDMCRTDQNKCSENSICVNQVNKEPLCICLFNYEKSIAGLSTQGAHTCVMNNPCLTNNGGCSPNEICTLKNRKVVCSCGENYRPKGKESQLGPMAQRGQLGKLGQLGQLGQLGQLGQLGKRGKLGQLGNPPTPEDNACIPKASEADQTFSFKYNDDMAIILGSCGIIQFSQKSEQVIWKISKSHNFYIFNYEYSSEGMLEAQIVNKHTSSILYLKKRQGGKVFYADFELAHEGCSYGNMFPYSHSMMA
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                                          (00:02:45)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:47)

• Minimal score value: -3.7411
• Maximal score value: 2.0993
• Average score: -0.8526
• Total score value: -213.1584

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	V	A	2.0993
2	L	A	1.3168
3	Q	A	-1.0739
4	D	A	-2.4868
5	M	A	-2.7619
6	C	A	-2.4513
7	R	A	-3.7411
8	T	A	-2.7639
9	D	A	-3.3458
10	Q	A	-3.6152
11	N	A	-3.2243
12	K	A	-3.4491
13	C	A	-1.1645
14	S	A	-1.2034
15	E	A	-1.9198
16	N	A	-0.3334
17	S	A	0.5249
18	I	A	1.8057
19	C	A	0.6389
20	V	A	0.7657
21	N	A	-1.1247
22	Q	A	-1.0103
23	V	A	0.3390
24	N	A	-1.7208
25	K	A	-2.8195
26	E	A	-2.7706
27	P	A	-1.4172
28	L	A	0.1598
29	C	A	0.5977
30	I	A	1.6466
31	C	A	0.8121
32	L	A	1.4509
33	F	A	1.7836
34	N	A	0.4883
35	Y	A	0.3207
36	E	A	-0.8746
37	K	A	-0.4795
38	S	A	0.5395
39	I	A	1.7401
40	A	A	0.9239
41	G	A	0.5895
42	L	A	0.8656
43	S	A	-0.2166
44	T	A	-0.4628
45	Q	A	-1.5017
46	G	A	-0.9588
47	A	A	-1.1730
48	H	A	-0.8569
49	T	A	-0.5184
50	C	A	0.0000
51	V	A	0.6307
52	M	A	0.7508
53	N	A	-0.3100
54	N	A	-0.1513
55	P	A	-0.4624
56	C	A	0.3791
57	L	A	0.9136
58	T	A	-0.1880
59	N	A	-1.3769
60	N	A	-0.5283
61	G	A	-0.3791
62	G	A	-0.9966
63	C	A	0.0000
64	S	A	-0.6426
65	P	A	-0.2347
66	N	A	-0.1775
67	E	A	0.0000
68	I	A	1.4688
69	C	A	0.8713
70	T	A	0.0136
71	L	A	-1.4259
72	K	A	-2.9954
73	N	A	-3.2909
74	R	A	-3.6237
75	K	A	-3.1314
76	V	A	-1.0738
77	V	A	-0.1123
78	C	A	0.5817
79	S	A	0.2402
80	C	A	-0.4891
81	G	A	-0.8558
82	E	A	-2.1577
83	N	A	-2.0860
84	Y	A	0.0000
85	R	A	-2.0784
86	P	A	-1.9578
87	K	A	-2.7466
88	G	A	-2.8020
89	K	A	-3.6226
90	E	A	-3.2086
91	S	A	-1.8893
92	Q	A	-1.5208
93	L	A	0.4746
94	G	A	-0.1505
95	P	A	0.0845
96	M	A	0.5718
97	A	A	-0.7266
98	Q	A	-2.0987
99	R	A	-2.5949
100	G	A	-1.9724
101	Q	A	-1.3368
102	L	A	0.2298
103	G	A	-0.5695
104	K	A	-1.0588
105	L	A	0.4604
106	G	A	-0.4607
107	Q	A	-0.7682
108	L	A	0.7087
109	G	A	-0.3531
110	Q	A	-0.7168
111	L	A	0.7044
112	G	A	-0.3168
113	Q	A	-0.5920
114	L	A	0.7147
115	G	A	-0.2366
116	Q	A	-0.5884
117	L	A	0.7311
118	G	A	-0.2708
119	Q	A	-0.7880
120	L	A	0.2365
121	G	A	-1.4349
122	K	A	-2.9918
123	R	A	-3.0653
124	G	A	-2.3413
125	K	A	-2.1716
126	L	A	0.0301
127	G	A	-0.4789
128	Q	A	-0.8861
129	L	A	0.4655
130	G	A	-0.8589
131	N	A	-1.5038
132	P	A	-0.9588
133	P	A	-1.5204
134	T	A	-1.5991
135	P	A	-1.7670
136	E	A	-2.8369
137	D	A	-2.9622
138	N	A	-2.4365
139	A	A	-1.7613
140	C	A	0.0000
141	I	A	-0.6664
142	P	A	0.0000
143	K	A	-2.1700
144	A	A	-1.5599
145	S	A	-1.5663
146	E	A	-2.1211
147	A	A	-1.2116
148	D	A	-1.5704
149	Q	A	-1.2839
150	T	A	-0.9921
151	F	A	0.0000
152	S	A	-0.5637
153	F	A	0.0000
154	K	A	-2.1172
155	Y	A	-2.0312
156	N	A	-3.1414
157	D	A	-3.3399
158	D	A	-3.4483
159	M	A	0.0000
160	A	A	0.0000
161	I	A	0.0000
162	I	A	0.5841
163	L	A	0.0000
164	G	A	-0.4551
165	S	A	-0.6784
166	C	A	0.0000
167	G	A	-0.0785
168	I	A	0.6173
169	I	A	0.0000
170	Q	A	-0.4325
171	F	A	0.0000
172	S	A	-2.1331
173	Q	A	-2.9276
174	K	A	-2.7010
175	S	A	-2.0240
176	E	A	-2.5396
177	Q	A	-1.5868
178	V	A	0.0000
179	I	A	0.7978
180	W	A	0.0000
181	K	A	-0.1110
182	I	A	-0.6670
183	S	A	-1.2774
184	K	A	-2.3974
185	S	A	-1.7514
186	H	A	-1.6500
187	N	A	-1.0597
188	F	A	1.4589
189	Y	A	1.6092
190	I	A	1.5057
191	F	A	-0.1219
192	N	A	-1.6212
193	Y	A	0.0000
194	E	A	-2.5020
195	Y	A	-2.2625
196	S	A	-2.1222
197	S	A	-1.8418
198	E	A	-2.6082
199	G	A	-1.6722
200	M	A	-0.9788
201	L	A	0.0000
202	E	A	-1.0914
203	A	A	0.0000
204	Q	A	-1.1232
205	I	A	0.0000
206	V	A	0.0000
207	N	A	-1.5067
208	K	A	-2.2875
209	H	A	-2.1750
210	T	A	-1.7029
211	S	A	-1.7242
212	S	A	0.0000
213	I	A	0.0000
214	L	A	0.0000
215	Y	A	0.0000
216	L	A	0.0000
217	K	A	-0.7182
218	K	A	-1.7691
219	R	A	-2.9382
220	Q	A	-2.8698
221	G	A	-1.8682
222	G	A	-1.7790
223	K	A	-1.8269
224	V	A	-0.5669
225	F	A	-0.1629
226	Y	A	0.0024
227	A	A	-0.4266
228	D	A	-1.0542
229	F	A	-0.9767
230	E	A	-1.9396
231	L	A	0.0000
232	A	A	-0.9059
233	H	A	0.0000
234	E	A	-2.3416
235	G	A	-1.8358
236	C	A	-1.1188
237	S	A	-0.9466
238	Y	A	-0.6213
239	G	A	-0.9844
240	N	A	-1.1800
241	M	A	-0.1137
242	F	A	0.7951
243	P	A	0.7847
244	Y	A	0.4435
245	S	A	-0.8534
246	H	A	-1.1045
247	S	A	-0.2311
248	M	A	1.1706
249	M	A	1.3918
250	A	A	0.8687