Project name: Wb5

Chain sequence(s)	A: MRSAQFPLFISPLSFCIIGALALLAMSQRCAPSINRNNLNHEDGDDGNINDNGDNNVNGDDGNINNVNDNNNFLQQQRYDEALSIEGLSWDNITEEERDILMSLLLNRYINASMLPWNNDGIPVVVNVIRSALPRNYGQFIGYTGLLEH
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                                          (00:01:01)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:02)

• Minimal score value: -4.0398
• Maximal score value: 4.3991
• Average score: -0.6392
• Total score value: -95.2358

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	0.1196
2	R	A	-1.5709
3	S	A	-1.1823
4	A	A	-1.0349
5	Q	A	-1.3573
6	F	A	-0.2087
7	P	A	0.4421
8	L	A	1.4834
9	F	A	2.9649
10	I	A	3.4035
11	S	A	2.2172
12	P	A	1.9064
13	L	A	3.0547
14	S	A	3.0431
15	F	A	4.0495
16	C	A	3.7068
17	I	A	4.3831
18	I	A	4.3991
19	G	A	3.1824
20	A	A	3.2085
21	L	A	3.7479
22	A	A	2.8997
23	L	A	3.1835
24	L	A	2.8833
25	A	A	1.5554
26	M	A	1.3207
27	S	A	0.1849
28	Q	A	-1.2476
29	R	A	-1.8186
30	C	A	-0.4027
31	A	A	0.0068
32	P	A	0.0450
33	S	A	0.1452
34	I	A	0.5674
35	N	A	-1.8545
36	R	A	-2.6050
37	N	A	-2.7057
38	N	A	-2.3696
39	L	A	-0.9575
40	N	A	-2.3860
41	H	A	-2.7674
42	E	A	-3.7587
43	D	A	-4.0398
44	G	A	-3.4910
45	D	A	-3.9324
46	D	A	-3.3913
47	G	A	-2.2040
48	N	A	-1.9234
49	I	A	-0.3276
50	N	A	-2.0076
51	D	A	-2.9493
52	N	A	-3.0131
53	G	A	-3.0704
54	D	A	-3.2829
55	N	A	-2.7880
56	N	A	-2.0228
57	V	A	-0.4024
58	N	A	-1.7666
59	G	A	-2.0209
60	D	A	-3.2268
61	D	A	-3.1772
62	G	A	-2.1747
63	N	A	-1.7443
64	I	A	0.3156
65	N	A	-1.0006
66	N	A	-1.3823
67	V	A	-0.4286
68	N	A	-2.6943
69	D	A	-2.9924
70	N	A	-2.7003
71	N	A	-2.6122
72	N	A	-2.2270
73	F	A	0.1489
74	L	A	0.1094
75	Q	A	-1.9269
76	Q	A	-2.0877
77	Q	A	-2.2204
78	R	A	-2.8277
79	Y	A	-1.4094
80	D	A	-1.9473
81	E	A	-1.4815
82	A	A	-0.3332
83	L	A	-0.1717
84	S	A	-0.3358
85	I	A	0.0000
86	E	A	-1.4958
87	G	A	0.0000
88	L	A	0.2794
89	S	A	-0.4339
90	W	A	-0.7316
91	D	A	-2.2295
92	N	A	-2.1168
93	I	A	0.0000
94	T	A	-2.4551
95	E	A	-3.6898
96	E	A	-3.4983
97	E	A	-2.5605
98	R	A	-2.6876
99	D	A	-2.9617
100	I	A	0.0000
101	L	A	0.0000
102	M	A	-0.3273
103	S	A	-0.1343
104	L	A	0.0000
105	L	A	-0.1783
106	L	A	0.7917
107	N	A	-0.5625
108	R	A	-1.5814
109	Y	A	-0.4615
110	I	A	0.0000
111	N	A	-1.4016
112	A	A	-0.9786
113	S	A	-0.9459
114	M	A	-0.6387
115	L	A	0.0000
116	P	A	0.0000
117	W	A	-0.4745
118	N	A	-1.5158
119	N	A	-1.3318
120	D	A	-1.8538
121	G	A	-0.9424
122	I	A	-0.2518
123	P	A	-0.5246
124	V	A	0.0000
125	V	A	0.0000
126	V	A	0.0000
127	N	A	-0.4585
128	V	A	0.0000
129	I	A	-1.5198
130	R	A	-1.7149
131	S	A	-1.4723
132	A	A	-0.3682
133	L	A	0.1735
134	P	A	-0.3177
135	R	A	-0.5216
136	N	A	-1.0556
137	Y	A	-0.9228
138	G	A	0.0000
139	Q	A	-0.3235
140	F	A	0.7641
141	I	A	1.4295
142	G	A	1.1107
143	Y	A	0.9735
144	T	A	0.3395
145	G	A	0.1239
146	L	A	1.3200
147	L	A	0.8833
148	E	A	-1.3189
149	H	A	-1.1805