Project name: 3463e53fe1bf3fd

Chain sequence(s)	A: GQSWWLPRVGAQALKSFQDEQFQGLWFVLGLAGSTHSKADRSLLSPFTATFERSGKRRLQVSYAMTRGPRCITWSYLLTPTAQPGQFSVDNSREPGALAEELQVHDTDYTTFALMVSKRQSGGQRILRVYLLCRMWAIEVKELDRFVCLLGAQGLSEDNIVFPD
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                                          (00:02:39)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:40)

• Minimal score value: -3.6523
• Maximal score value: 0.9744
• Average score: -0.8283
• Total score value: -135.8488

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
7	G	A	-1.0267
8	Q	A	-1.3074
9	S	A	-0.4753
10	W	A	0.1524
11	W	A	0.4980
12	L	A	0.0767
13	P	A	0.0000
14	R	A	-1.0062
15	V	A	0.1705
16	G	A	-0.3353
17	A	A	-0.8995
18	Q	A	-1.5209
19	A	A	-1.1447
20	L	A	-1.2234
21	K	A	-2.0413
22	S	A	-1.1776
23	F	A	0.0000
24	Q	A	-1.9835
25	D	A	0.0000
26	E	A	-3.4219
27	Q	A	-2.1980
28	F	A	0.0000
29	Q	A	-2.0771
30	G	A	-0.8626
31	L	A	0.8369
32	W	A	0.0000
33	F	A	0.5964
34	V	A	0.0000
35	L	A	0.0000
36	G	A	0.0000
37	L	A	0.1121
38	A	A	0.0000
39	G	A	0.0000
40	S	A	-0.6589
41	T	A	-0.6652
42	H	A	-1.7656
43	S	A	-2.5783
44	K	A	-3.5818
45	A	A	-2.4554
46	D	A	-3.1507
47	R	A	-3.0563
48	S	A	-1.0628
49	L	A	-0.1268
50	L	A	-0.2994
51	S	A	-0.5936
52	P	A	0.1307
53	F	A	0.0000
54	T	A	0.3879
55	A	A	0.0000
56	T	A	-0.0393
57	F	A	0.0000
58	E	A	-3.0235
59	R	A	-3.6523
60	S	A	-2.2935
61	G	A	-2.2991
62	K	A	-2.9682
63	R	A	-2.9758
64	R	A	-2.3570
65	L	A	0.0000
66	Q	A	-1.4437
67	V	A	0.0000
68	S	A	0.0223
69	Y	A	0.0000
70	A	A	0.2412
71	M	A	0.0000
72	T	A	-0.8648
73	R	A	-1.8991
74	G	A	-1.7486
75	P	A	-1.6460
76	R	A	-2.1513
77	C	A	-0.4869
78	I	A	0.5008
79	T	A	0.6706
80	W	A	0.6602
81	S	A	0.1639
82	Y	A	0.2998
83	L	A	-0.7083
84	L	A	0.0000
85	T	A	-1.0856
86	P	A	-0.8766
87	T	A	-0.4044
88	A	A	-0.2683
89	Q	A	-0.8183
90	P	A	-0.9421
91	G	A	0.0000
92	Q	A	0.0000
93	F	A	0.0000
94	S	A	-0.8084
95	V	A	0.0000
96	D	A	-2.0280
97	N	A	-1.8619
98	S	A	-2.2072
99	R	A	-3.1875
100	E	A	-3.0230
101	P	A	-1.6718
102	G	A	-1.4168
103	A	A	0.0000
104	L	A	-1.0339
105	A	A	-1.1604
106	E	A	-1.0189
107	E	A	-0.8324
108	L	A	0.0000
109	Q	A	0.0000
110	V	A	0.0000
111	H	A	0.0000
112	D	A	-1.0841
113	T	A	-0.7315
114	D	A	-1.2784
115	Y	A	-0.5952
116	T	A	-0.5917
117	T	A	-0.5485
118	F	A	0.0000
119	A	A	0.0000
120	L	A	0.0000
121	M	A	0.0000
122	V	A	0.0000
123	S	A	0.0000
124	K	A	0.0000
125	R	A	-1.2599
126	Q	A	-1.6350
127	S	A	-1.3590
128	G	A	-1.4502
129	G	A	-1.5177
130	Q	A	-2.1056
131	R	A	-1.8215
132	I	A	-1.0264
133	L	A	0.0000
134	R	A	-0.4196
135	V	A	0.0000
136	Y	A	0.0000
137	L	A	0.0000
138	L	A	0.0000
139	C	A	0.0000
140	R	A	-0.9336
141	M	A	0.5237
142	W	A	0.9744
143	A	A	0.2788
144	I	A	-0.2233
145	E	A	-1.5046
146	V	A	-0.5650
147	K	A	-2.4749
148	E	A	-2.0929
149	L	A	-1.2470
150	D	A	-2.4855
151	R	A	-2.4460
152	F	A	0.0000
153	V	A	-0.2117
154	C	A	-0.1513
155	L	A	0.0000
156	L	A	0.0000
157	G	A	-0.4351
158	A	A	-0.0934
159	Q	A	0.0000
160	G	A	-0.7600
161	L	A	0.0000
162	S	A	-1.6886
163	E	A	-2.6864
164	D	A	-2.8189
165	N	A	-2.0477
166	I	A	-1.1045
167	V	A	0.0000
168	F	A	0.2123
169	P	A	-0.4243
170	D	A	-1.6403