Project name: 9060f1a3b52939e

Chain sequence(s)	A: MVNIKIKEEEGKVYLEIDETSREVIEEGLKKGVELMGEDKPLRVTVQAVIPSRTVNRKKSIEGLFRTKEEQEEGIKKLVDETMKIVEEWKDEEKIIIKIKLEEVE
Selected Chain(s)	A
Distance of aggregation	10 Å
FoldX usage	Yes
pH calculations	No
alphaCutter usage	No
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 minimization                                          (00:00:01)
[INFO]       Analysis: Starting Aggrescan4D on folded.pdb                                          (00:03:03)
[INFO]       Main:     Simulation completed successfully.                                          (00:03:04)

• Minimal score value: -4.7523
• Maximal score value: 1.065
• Average score: -1.8847
• Total score value: -197.8893

The table below lists A4D score for protein residues. Residues with A4D score > 0.0000 are marked by yellow rows.

residue index	residue name	chain	Aggrescan4D score	mutation
1	M	A	1.0650
2	V	A	-0.2120
3	N	A	-1.6804
4	I	A	-1.8662
5	K	A	-2.3479
6	I	A	-1.6482
7	K	A	-2.7902
8	E	A	-3.6520
9	E	A	-4.2273
10	E	A	-3.6999
11	G	A	-2.8350
12	K	A	-3.5462
13	V	A	0.0000
14	Y	A	-1.7136
15	L	A	0.0000
16	E	A	-2.1672
17	I	A	0.0000
18	D	A	-3.0321
19	E	A	-2.5642
20	T	A	-1.8397
21	S	A	-1.5881
22	R	A	-2.3267
23	E	A	-3.1071
24	V	A	0.0000
25	I	A	0.0000
26	E	A	-3.3248
27	E	A	-3.4028
28	G	A	0.0000
29	L	A	0.0000
30	K	A	-3.4785
31	K	A	-2.5250
32	G	A	0.0000
33	V	A	0.0000
34	E	A	-2.8186
35	L	A	-1.2514
36	M	A	0.0000
37	G	A	-2.4223
38	E	A	-4.1131
39	D	A	-3.7626
40	K	A	-3.6198
41	P	A	-3.1292
42	L	A	0.0000
43	R	A	-2.7788
44	V	A	0.0000
45	T	A	-1.3083
46	V	A	0.0000
47	Q	A	-1.1790
48	A	A	0.0000
49	V	A	0.0000
50	I	A	0.0000
51	P	A	-1.6996
52	S	A	-1.3470
53	R	A	-1.6726
54	T	A	-0.5521
55	V	A	0.1525
56	N	A	-1.7234
57	R	A	-2.7008
58	K	A	-2.6779
59	K	A	-1.8236
60	S	A	-1.3691
61	I	A	-1.3368
62	E	A	-1.9926
63	G	A	-1.2441
64	L	A	-0.9694
65	F	A	0.0000
66	R	A	-3.5154
67	T	A	-3.2492
68	K	A	-4.2284
69	E	A	-4.1413
70	E	A	-3.5159
71	Q	A	0.0000
72	E	A	-4.7523
73	E	A	-4.4974
74	G	A	0.0000
75	I	A	0.0000
76	K	A	-4.0065
77	K	A	-3.6261
78	L	A	0.0000
79	V	A	0.0000
80	D	A	-2.5555
81	E	A	-2.5680
82	T	A	0.0000
83	M	A	-2.1781
84	K	A	-3.3429
85	I	A	0.0000
86	V	A	-2.8326
87	E	A	-4.1189
88	E	A	-3.9674
89	W	A	0.0000
90	K	A	-4.6787
91	D	A	-4.2658
92	E	A	-4.1204
93	E	A	-3.6847
94	K	A	-3.3982
95	I	A	0.0000
96	I	A	-1.2846
97	I	A	0.0000
98	K	A	-1.0233
99	I	A	0.0000
100	K	A	-1.5160
101	L	A	0.0000
102	E	A	-2.8858
103	E	A	-3.2116
104	V	A	-2.3164
105	E	A	-2.5582