Project name: 74df3b6133b6991

Chain sequence(s)	A: SDMPVAHVVANPQAEGQLQWLNRRANALLANGVELRDNQLVVPSEGLYLIYSQVLFSGQGCPSTHVLLTHTISRIAVSYQTPVNLLSAIRSPCQANPWYEPIYLGGVFQLEPGDRLSAEINRPDYLDFAESGQVYFGIIAL
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                                          (00:01:31)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:33)

• Minimal score value: -3.227
• Maximal score value: 2.1844
• Average score: -0.5929
• Total score value: -83.5931

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
9	S	A	-1.0214
10	D	A	-1.9126
11	M	A	-0.2895
12	P	A	0.0000
13	V	A	0.3703
14	A	A	0.0000
15	H	A	0.0258
16	V	A	0.0000
17	V	A	-0.5992
18	A	A	0.0000
19	N	A	-1.2658
20	P	A	-1.5442
21	Q	A	-2.0895
22	A	A	-2.1002
23	E	A	-3.2270
24	G	A	-2.8991
25	Q	A	-2.8043
26	L	A	0.0000
27	Q	A	-1.9315
28	W	A	0.0000
29	L	A	-0.8114
30	N	A	-1.4954
31	R	A	-2.3837
32	R	A	-2.0422
33	A	A	-1.2988
34	N	A	-1.6837
35	A	A	-0.9951
36	L	A	0.0129
37	L	A	-0.0207
38	A	A	-0.5403
39	N	A	-1.4259
40	G	A	-1.2199
41	V	A	0.0000
42	E	A	-2.0454
43	L	A	-1.8655
44	R	A	-3.0569
45	D	A	-3.1762
46	N	A	-2.5747
47	Q	A	-2.2279
48	L	A	0.0000
49	V	A	0.0000
50	V	A	0.0000
51	P	A	-1.3691
52	S	A	-1.5028
53	E	A	-2.5950
54	G	A	-0.8608
55	L	A	0.7504
56	Y	A	0.0000
57	L	A	1.6292
58	I	A	0.0000
59	Y	A	0.5504
60	S	A	0.0000
61	Q	A	0.2638
62	V	A	0.0000
63	L	A	0.0000
64	F	A	0.0000
65	S	A	-0.0551
66	G	A	-0.7652
67	Q	A	-1.4821
68	G	A	-0.8948
69	C	A	-0.3055
70	P	A	-0.4297
71	S	A	-0.5021
72	T	A	-0.6508
73	H	A	-1.1206
74	V	A	0.0000
75	L	A	0.4268
76	L	A	0.0000
77	T	A	0.0945
78	H	A	0.0000
79	T	A	-0.4167
80	I	A	0.0000
81	S	A	0.0000
82	R	A	-0.3008
83	I	A	-0.1155
84	A	A	0.2574
85	V	A	0.6640
86	S	A	0.5333
87	Y	A	1.0970
88	Q	A	-0.2478
89	T	A	-0.1212
90	P	A	-0.3053
91	V	A	0.1699
92	N	A	-0.8591
93	L	A	-0.1101
94	L	A	-0.0573
95	S	A	0.0153
96	A	A	0.9123
97	I	A	1.5797
98	R	A	-0.1187
99	S	A	-0.4560
100	P	A	-0.3831
101	C	A	0.0000
102	Q	A	-1.4312
111	A	A	-0.8710
112	N	A	-1.6454
113	P	A	-0.9954
114	W	A	-0.0096
115	Y	A	0.8790
116	E	A	-0.0550
117	P	A	-0.0163
118	I	A	0.0000
119	Y	A	1.1246
120	L	A	0.0000
121	G	A	0.3074
122	G	A	0.6529
123	V	A	1.7106
124	F	A	0.6649
125	Q	A	-0.8808
126	L	A	0.0000
127	E	A	-2.1279
128	P	A	-1.4122
129	G	A	-0.8472
130	D	A	0.0000
131	R	A	-1.6713
132	L	A	0.0000
133	S	A	-1.2584
134	A	A	0.0000
135	E	A	-1.9870
136	I	A	-1.3235
137	N	A	-1.6161
138	R	A	-1.8592
139	P	A	-2.4956
140	D	A	-2.8155
141	Y	A	-1.2580
142	L	A	-0.9015
143	D	A	-0.7168
144	F	A	-0.9799
145	A	A	-0.8764
146	E	A	-2.0138
147	S	A	-1.4539
148	G	A	-1.1479
149	Q	A	-0.8694
150	V	A	0.0000
151	Y	A	0.1353
152	F	A	0.0000
153	G	A	0.0000
154	I	A	0.0000
155	I	A	1.5042
156	A	A	0.0000
157	L	A	2.1844