Project name: aeef3b0792f6a00

Chain sequence(s)	A: VGSLNCIVAVSQNMMGIGKNGDLPWPPPLRNEFRYFQRRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNNHPGHLKLFVTRIMQDFESDTFFPEIDLEKYKLLPEYPGVLSDVQEEEKGIKYKFEVYEKND
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                                          (00:02:35)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:36)

• Minimal score value: -3.7076
• Maximal score value: 0.7009
• Average score: -1.1835
• Total score value: -220.1394

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	0.7009
2	G	A	0.5314
3	S	A	0.0547
4	L	A	0.1028
5	N	A	0.0000
6	C	A	0.0000
7	I	A	0.0000
8	V	A	0.0000
9	A	A	-0.0141
10	V	A	0.0000
11	S	A	0.0000
12	Q	A	-2.2072
13	N	A	-1.5674
14	M	A	-0.8774
15	G	A	0.0000
16	I	A	-0.3148
17	G	A	-1.4365
18	K	A	-2.6053
19	N	A	-2.8010
20	G	A	-2.2371
21	D	A	-2.5110
22	L	A	-1.0273
23	P	A	0.0000
24	W	A	0.0000
25	P	A	-0.8598
26	P	A	-0.9432
27	L	A	0.0000
28	R	A	-2.5298
29	N	A	-1.9895
30	E	A	0.0000
31	F	A	-1.3034
32	R	A	-2.7005
33	Y	A	0.0000
34	F	A	-1.0083
35	Q	A	-2.1317
36	R	A	-2.4276
37	M	A	-1.1063
38	T	A	0.0000
39	T	A	-1.3788
40	T	A	-0.9543
41	S	A	-1.0294
42	S	A	-0.5638
43	V	A	-0.8395
44	E	A	-2.1917
45	G	A	-2.1311
46	K	A	-2.2251
47	Q	A	-2.0248
48	N	A	0.0000
49	L	A	0.0000
50	V	A	0.0000
51	I	A	0.0000
52	M	A	0.0000
53	G	A	-0.7790
54	K	A	-1.7696
55	K	A	-1.8568
56	T	A	-0.9430
57	W	A	0.0000
58	F	A	-0.1302
59	S	A	-0.9562
60	I	A	-1.0855
61	P	A	-1.7399
62	E	A	-3.1644
63	K	A	-3.3756
64	N	A	-3.2608
65	R	A	-2.5386
66	P	A	-2.0945
67	L	A	0.0000
68	K	A	-2.3677
69	G	A	-1.6124
70	R	A	-1.2464
71	I	A	-0.7532
72	N	A	0.0000
73	L	A	0.0000
74	V	A	0.0000
75	L	A	-1.4267
76	S	A	0.0000
77	R	A	-3.5791
78	E	A	-3.5797
79	L	A	-2.8729
80	K	A	-3.3913
81	E	A	-3.0282
82	P	A	-1.7779
83	P	A	0.0000
84	Q	A	-2.0193
85	G	A	-1.7558
86	A	A	0.0000
87	H	A	-1.2909
88	F	A	-0.2672
89	L	A	-1.2511
90	S	A	0.0000
91	R	A	-3.0981
92	S	A	-2.1615
93	L	A	0.0000
94	D	A	-2.4244
95	D	A	-2.8132
96	A	A	0.0000
97	L	A	-1.5354
98	K	A	-2.9396
99	L	A	-2.0403
100	T	A	0.0000
101	E	A	-2.6447
102	Q	A	-2.4746
103	P	A	-2.1287
104	E	A	-2.4795
105	L	A	0.0000
106	A	A	-2.1115
107	N	A	-2.5821
108	K	A	-2.6703
109	V	A	0.0000
110	D	A	0.0000
111	M	A	0.1097
112	V	A	0.0000
113	W	A	0.0000
114	I	A	0.0000
115	V	A	0.2067
116	G	A	0.0000
117	G	A	-0.5368
118	S	A	-0.3171
119	S	A	-0.9370
120	V	A	0.0000
121	Y	A	0.0000
122	K	A	-2.6266
123	E	A	-2.2955
124	A	A	0.0000
125	M	A	0.0000
126	N	A	-2.5128
127	H	A	-1.8349
128	P	A	-1.6422
129	G	A	-1.8180
130	H	A	-1.9420
131	L	A	0.0000
132	K	A	-0.6937
133	L	A	0.0000
134	F	A	0.0000
135	V	A	0.0000
136	T	A	0.0000
137	R	A	-1.4882
138	I	A	0.0000
139	M	A	-1.5908
140	Q	A	-2.0226
141	D	A	-2.8065
142	F	A	-2.1226
143	E	A	-2.7163
144	S	A	-2.2668
145	D	A	-2.5464
146	T	A	-0.9061
147	F	A	0.5499
148	F	A	0.0000
149	P	A	-1.1657
150	E	A	-1.9559
151	I	A	-2.0866
152	D	A	-2.8546
153	L	A	-1.2044
154	E	A	-2.7458
155	K	A	-3.7076
156	Y	A	0.0000
157	K	A	-1.9371
158	L	A	0.1096
159	L	A	-0.4237
160	P	A	-0.9463
161	E	A	-1.6254
162	Y	A	-0.5665
163	P	A	-0.4916
164	G	A	-0.3140
165	V	A	0.0430
166	L	A	0.5668
167	S	A	-0.7695
168	D	A	-1.4115
169	V	A	-1.0253
170	Q	A	-1.6819
171	E	A	-3.0380
172	E	A	-2.9564
173	K	A	-2.9604
174	G	A	-2.1930
175	I	A	0.0000
176	K	A	-2.6281
177	Y	A	0.0000
178	K	A	-1.3542
179	F	A	0.0000
180	E	A	0.0000
181	V	A	0.0000
182	Y	A	0.0000
183	E	A	-1.3292
184	K	A	0.0000
185	N	A	-3.0921
186	D	A	-3.0717