Project name: 2642e2672b13918

Chain sequence(s)	A: MDVFMKGLSKAKEGVVAAAEKTKQGVAEAAGKTKEGVLYVVAEKTKEQVTNVGGAVVTGVTAVAQKTVEGAGSIAAATGFVKKDQLGKNEEGAPQEGILEDMPVDPDNEAYEMPSEEGYQDYEPEA
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                                          (00:01:46)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:46)

• Minimal score value: -4.0262
• Maximal score value: 3.5779
• Average score: -0.8152
• Total score value: -102.7146

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	1.2169
2	D	A	-0.0485
3	V	A	1.6506
4	F	A	1.9299
5	M	A	0.8560
6	K	A	-1.0887
7	G	A	-0.7518
8	L	A	-0.4667
9	S	A	-1.5649
10	K	A	-2.6419
11	A	A	-1.6304
12	K	A	-2.2151
13	E	A	-2.2081
14	G	A	-0.9783
15	V	A	0.5779
16	V	A	0.4037
17	A	A	-0.7707
18	A	A	-0.8897
19	A	A	-1.2244
20	E	A	-2.7584
21	K	A	-2.9477
22	T	A	-2.3008
23	K	A	-3.2312
24	Q	A	-3.2070
25	G	A	-1.9784
26	V	A	-0.5360
27	A	A	-1.4791
28	E	A	-2.4903
29	A	A	-1.5131
30	A	A	-1.5301
31	G	A	-2.2692
32	K	A	-2.8935
33	T	A	-2.7482
34	K	A	-3.0357
35	E	A	-2.5439
36	G	A	-0.3866
37	V	A	2.1510
38	L	A	3.3260
39	Y	A	3.5779
40	V	A	3.2694
41	V	A	1.5205
42	A	A	-0.3778
43	E	A	-2.8931
44	K	A	-3.3544
45	T	A	-2.6279
46	K	A	-3.3492
47	E	A	-3.5539
48	Q	A	-2.5023
49	V	A	-0.2428
50	T	A	-0.8237
51	N	A	-0.9675
52	V	A	1.1162
53	G	A	1.0294
54	G	A	0.9707
55	A	A	1.7230
56	V	A	3.0283
57	V	A	3.2025
58	T	A	2.0713
59	G	A	2.1648
60	V	A	3.0150
61	T	A	1.5407
62	A	A	0.9791
63	V	A	1.7001
64	A	A	0.5448
65	Q	A	-0.8422
66	K	A	-1.5321
67	T	A	-0.4895
68	V	A	0.3429
69	E	A	-1.5956
70	G	A	-0.7662
71	A	A	0.2272
72	G	A	-0.1741
73	S	A	0.3001
74	I	A	1.9095
75	A	A	1.3396
76	A	A	1.0619
77	A	A	1.0463
78	T	A	0.7006
79	G	A	0.9308
80	F	A	2.0306
81	V	A	0.6287
82	K	A	-1.8194
83	K	A	-2.7923
84	D	A	-2.7005
85	Q	A	-2.3233
86	L	A	-0.3867
87	G	A	-1.5937
88	K	A	-3.2122
89	N	A	-3.6302
90	E	A	-4.0262
91	E	A	-3.5497
92	G	A	-2.1214
93	A	A	-1.1457
94	P	A	-1.5913
95	Q	A	-2.3565
96	E	A	-2.2737
97	G	A	-0.4928
98	I	A	1.5650
99	L	A	1.1382
100	E	A	-1.2381
101	D	A	-1.1894
102	M	A	0.3253
103	P	A	0.1179
104	V	A	0.4650
105	D	A	-2.0631
106	P	A	-2.0854
107	D	A	-3.4475
108	N	A	-3.4733
109	E	A	-3.2117
110	A	A	-1.3742
111	Y	A	-0.0613
112	E	A	-1.4994
113	M	A	-1.0103
114	P	A	-1.5358
115	S	A	-1.8051
116	E	A	-2.7324
117	E	A	-2.7404
118	G	A	-1.7300
119	Y	A	-0.4588
120	Q	A	-1.6972
121	D	A	-1.8182
122	Y	A	-0.9357
123	E	A	-2.4703
124	P	A	-1.9831
125	E	A	-2.2951
126	A	A	-1.1178