Project name: 4-5R3

Chain sequence(s)	A: MTEQQWNFAGIEAAASAIQGNVTSIHSLLDEGKQSLTKLAAAWGGSGSEAYQGVQQKWDATATELNNALQNLARTISEAGQAMASTEGNVTGMFAFAVTNDGVI
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                                          (00:00:55)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:56)

• Minimal score value: -2.9353
• Maximal score value: 3.1519
• Average score: -0.9902
• Total score value: -102.9771

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	0.3158
2	T	A	-1.0465
3	E	A	-2.3703
4	Q	A	-2.3339
5	Q	A	-2.1400
6	W	A	-0.4445
7	N	A	-1.1747
8	F	A	-0.4162
9	A	A	-0.4605
10	G	A	-0.5548
11	I	A	-0.3362
12	E	A	-1.6867
13	A	A	-0.8294
14	A	A	-0.3383
15	A	A	-0.8791
16	S	A	-0.9253
17	A	A	-0.6516
18	I	A	-0.4266
19	Q	A	-1.3101
20	G	A	-1.1938
21	N	A	-1.4861
22	V	A	-0.7972
23	T	A	-0.8152
24	S	A	-0.5403
25	I	A	-0.3568
26	H	A	-1.1212
27	S	A	-0.8326
28	L	A	0.0586
29	L	A	-0.9908
30	D	A	-2.4299
31	E	A	-2.5946
32	G	A	-1.8927
33	K	A	-2.0726
34	Q	A	-2.5356
35	S	A	-1.8760
36	L	A	-1.0783
37	T	A	-1.3833
38	K	A	-1.5673
39	L	A	-0.0746
40	A	A	-0.3097
41	A	A	-0.1786
42	A	A	0.0842
43	W	A	0.2127
44	G	A	-0.4164
45	G	A	-0.9267
46	S	A	-0.8907
47	G	A	-1.0273
48	S	A	-1.4784
49	E	A	-2.3184
50	A	A	-1.1698
51	Y	A	-1.0160
52	Q	A	-2.1989
53	G	A	-1.6543
54	V	A	-0.8212
55	Q	A	-1.6178
56	Q	A	-2.3241
57	K	A	-2.3127
58	W	A	-1.4643
59	D	A	-1.8469
60	A	A	-1.5519
61	T	A	-1.5025
62	A	A	-1.4060
63	T	A	-1.6536
64	E	A	-2.2995
65	L	A	-1.3341
66	N	A	-1.7976
67	N	A	-2.4882
68	A	A	-1.7127
69	L	A	-1.7259
70	Q	A	-2.6600
71	N	A	-2.4040
72	L	A	-1.2397
73	A	A	-1.8249
74	R	A	-2.9353
75	T	A	-1.8986
76	I	A	-1.5472
77	S	A	-2.2800
78	E	A	-2.6505
79	A	A	-1.5838
80	G	A	-1.6089
81	Q	A	-2.1868
82	A	A	-1.2186
83	M	A	-0.9154
84	A	A	-1.4264
85	S	A	-1.3797
86	T	A	-1.5141
87	E	A	-2.3202
88	G	A	-1.8413
89	N	A	-1.5420
90	V	A	0.0042
91	T	A	0.2086
92	G	A	0.4308
93	M	A	2.0338
94	F	A	3.1519
95	A	A	2.3341
96	F	A	2.7472
97	A	A	1.6396
98	V	A	2.1397
99	T	A	0.9758
100	N	A	-0.7195
101	D	A	-1.0050
102	G	A	0.1414
103	V	A	2.1615
104	I	A	2.4927