Project name: 3e3c6c5e3bb6d64

Chain sequence(s)	A: MAMSLSGAVLSGMGSSFHNVGAKQSGVGTVRVGRKSELVVVAQRKKSLIYAVKSDGNILDDLNEATKKASDFVTDKTKEALADGEKTKDYIVEKTIEANETATEEAKKALDYVTEKGKEAGNKAAEFVEGKAEEAKNATKS
Selected Chain(s)	A
Distance of aggregation	10 Å
FoldX usage	No
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]       runJob:   FoldX not utilized. Treating input pdb file as it was already optimized.    (00:00:01)
[INFO]       Analysis: Starting Aggrescan4D on folded.pdb                                          (00:00:01)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:02)

• Minimal score value: -4.4997
• Maximal score value: 3.9193
• Average score: -1.2725
• Total score value: -179.4202

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	1.3119
2	A	A	1.1926
3	M	A	1.5684
4	S	A	1.0472
5	L	A	1.4881
6	S	A	0.3903
7	G	A	0.3566
8	A	A	1.1033
9	V	A	2.3553
10	L	A	2.1776
11	S	A	0.9963
12	G	A	0.4133
13	M	A	0.4454
14	G	A	-0.1446
15	S	A	0.0286
16	S	A	0.2395
17	F	A	1.1846
18	H	A	-0.3359
19	N	A	-0.5575
20	V	A	0.7029
21	G	A	-0.4909
22	A	A	-1.1776
23	K	A	-2.2930
24	Q	A	-2.0901
25	S	A	-1.1387
26	G	A	-0.4759
27	V	A	1.3046
28	G	A	0.4722
29	T	A	0.6918
30	V	A	1.7852
31	R	A	-0.6057
32	V	A	0.5431
33	G	A	-1.1585
34	R	A	-2.8443
35	K	A	-2.5763
36	S	A	-1.1719
37	E	A	-0.3289
38	L	A	2.9307
39	V	A	3.7142
40	V	A	3.7696
41	V	A	3.0827
42	A	A	1.0302
43	Q	A	-1.3528
44	R	A	-3.1317
45	K	A	-3.5137
46	K	A	-3.0599
47	S	A	-1.1485
48	L	A	1.3765
49	I	A	3.5979
50	Y	A	3.9193
51	A	A	3.0629
52	V	A	2.1091
53	K	A	-0.8591
54	S	A	-1.6392
55	D	A	-2.5456
56	G	A	-2.4906
57	N	A	-2.4141
58	I	A	-1.4093
59	L	A	-0.5871
60	D	A	-3.0107
61	D	A	-3.3261
62	L	A	-1.9153
63	N	A	-3.2871
64	E	A	-4.0932
65	A	A	-2.9541
66	T	A	-2.7931
67	K	A	-3.6879
68	K	A	-2.9865
69	A	A	-1.3991
70	S	A	-1.5932
71	D	A	-2.2313
72	F	A	-0.0919
73	V	A	0.0952
74	T	A	-1.5126
75	D	A	-3.0077
76	K	A	-2.7517
77	T	A	-2.1900
78	K	A	-3.4306
79	E	A	-3.9074
80	A	A	-2.6117
81	L	A	-2.3585
82	A	A	-2.6434
83	D	A	-3.3806
84	G	A	-2.7063
85	E	A	-3.9025
86	K	A	-3.2830
87	T	A	-1.7109
88	K	A	-2.0276
89	D	A	-1.7647
90	Y	A	0.2547
91	I	A	1.2994
92	V	A	1.2583
93	E	A	-1.1499
94	K	A	-1.2937
95	T	A	-0.1022
96	I	A	0.0050
97	E	A	-2.2589
98	A	A	-1.6733
99	N	A	-2.5971
100	E	A	-3.0876
101	T	A	-2.4440
102	A	A	-2.2579
103	T	A	-2.9410
104	E	A	-4.0451
105	E	A	-3.9723
106	A	A	-2.5741
107	K	A	-3.2675
108	K	A	-3.1247
109	A	A	-0.9252
110	L	A	-0.1301
111	D	A	-1.8342
112	Y	A	-0.1101
113	V	A	0.4187
114	T	A	-1.2850
115	E	A	-2.9116
116	K	A	-2.9906
117	G	A	-2.8899
118	K	A	-3.9903
119	E	A	-4.1361
120	A	A	-3.2696
121	G	A	-3.1102
122	N	A	-3.3793
123	K	A	-3.0767
124	A	A	-1.3984
125	A	A	-1.5657
126	E	A	-2.2819
127	F	A	0.1301
128	V	A	-0.0370
129	E	A	-2.6107
130	G	A	-2.4414
131	K	A	-3.0058
132	A	A	-3.0053
133	E	A	-4.4341
134	E	A	-4.4997
135	A	A	-3.2449
136	K	A	-4.0268
137	N	A	-3.6426
138	A	A	-2.3260
139	T	A	-2.0388
140	K	A	-2.5171
141	S	A	-1.2690