Project name: 4-5R0

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]                                                (00:00:01)
[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                                          (00:01:09)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:09)

• Minimal score value: -2.6104
• Maximal score value: 3.1474
• Average score: -0.8
• Total score value: -83.204

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	0.3437
2	T	A	-0.7442
3	E	A	-1.9602
4	Q	A	-1.6696
5	Q	A	-1.2152
6	W	A	-0.3827
7	N	A	-1.5716
8	F	A	-0.9553
9	A	A	-0.5867
10	G	A	-0.7832
11	I	A	-0.5455
12	E	A	-1.7825
13	A	A	-0.8909
14	A	A	-0.4052
15	A	A	-1.0301
16	S	A	-0.9855
17	A	A	-0.7637
18	I	A	-0.7924
19	Q	A	-1.2932
20	G	A	-1.2725
21	N	A	-1.6589
22	V	A	0.0000
23	T	A	-0.9199
24	S	A	-0.6743
25	I	A	-0.3423
26	H	A	-1.1079
27	S	A	-0.9249
28	L	A	0.0535
29	L	A	-0.9311
30	D	A	-2.3660
31	E	A	-2.5822
32	G	A	-1.7851
33	K	A	-2.0989
34	Q	A	-2.6104
35	S	A	-1.8628
36	L	A	-0.9887
37	T	A	-1.4462
38	K	A	-1.7648
39	L	A	-0.2717
40	A	A	-0.4980
41	A	A	-0.1612
42	A	A	0.1552
43	W	A	0.0663
44	G	A	-0.5362
45	G	A	-0.7932
46	S	A	-1.0688
47	G	A	-1.2510
48	S	A	-1.5265
49	E	A	-2.2826
50	A	A	-1.1081
51	Y	A	0.0000
52	Q	A	-2.1607
53	G	A	-1.7911
54	V	A	-0.9094
55	Q	A	-1.7131
56	Q	A	-2.3409
57	K	A	-2.3109
58	W	A	-1.5740
59	D	A	-1.7628
60	A	A	-1.4757
61	T	A	-1.4318
62	A	A	-1.3008
63	T	A	-1.5605
64	E	A	-2.1470
65	L	A	-1.0381
66	N	A	-1.4146
67	N	A	-2.0889
68	A	A	-1.2233
69	L	A	-1.0850
70	Q	A	-1.7255
71	N	A	-1.4673
72	L	A	-0.3865
73	A	A	0.0000
74	R	A	-1.9528
75	T	A	-1.2330
76	I	A	-0.8123
77	S	A	-1.7759
78	E	A	-2.3372
79	A	A	-1.1296
80	G	A	0.0000
81	Q	A	-1.9284
82	A	A	-1.0979
83	M	A	-0.7984
84	A	A	-1.1676
85	S	A	-1.0228
86	T	A	-0.9391
87	E	A	-1.2646
88	G	A	-0.9936
89	N	A	-1.0303
90	V	A	0.7068
91	T	A	0.7857
92	G	A	0.8869
93	M	A	2.1945
94	F	A	3.1474
95	A	A	2.3949
96	F	A	2.7246
97	A	A	1.7553
98	V	A	2.6317
99	T	A	1.1517
100	N	A	-0.7341
101	D	A	-1.0140
102	G	A	0.1281
103	V	A	2.2189
104	I	A	2.7822