Project name: 419aff25598dbc3

Chain sequence(s)	A: MASLATLAAVQPTTLKGLAGSSIAGTKLHIKPARQSFKLNNVRSGAIVAKYGDKSVYFDLEDIANTTGQWDVYGSDAPSPYNSLQSKFFETFAAPFTKRGLLLKFLILGGGSLLTYVSANAPQDVLPITRGPQQPPKLGPRGKI
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: -2.6965
• Maximal score value: 4.1637
• Average score: 0.2714
• Total score value: 39.0757

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	1.0378
2	A	A	0.8717
3	S	A	0.7918
4	L	A	1.6434
5	A	A	1.1372
6	T	A	1.0806
7	L	A	1.9553
8	A	A	1.1320
9	A	A	0.9796
10	V	A	1.3440
11	Q	A	-0.4675
12	P	A	-0.2280
13	T	A	-0.1042
14	T	A	-0.1584
15	L	A	0.8301
16	K	A	-0.8426
17	G	A	-0.1491
18	L	A	1.2355
19	A	A	0.7325
20	G	A	0.4235
21	S	A	0.3457
22	S	A	0.7982
23	I	A	1.8080
24	A	A	0.5158
25	G	A	-0.1757
26	T	A	-0.5243
27	K	A	-0.8098
28	L	A	0.4439
29	H	A	-0.2670
30	I	A	0.8294
31	K	A	-1.1620
32	P	A	-1.2971
33	A	A	-1.5440
34	R	A	-2.4980
35	Q	A	-1.8928
36	S	A	-0.6922
37	F	A	0.6579
38	K	A	-0.7989
39	L	A	0.5926
40	N	A	-1.0666
41	N	A	-1.4180
42	V	A	0.0233
43	R	A	-1.7553
44	S	A	-0.6714
45	G	A	0.0569
46	A	A	1.0562
47	I	A	2.5235
48	V	A	2.2499
49	A	A	0.7116
50	K	A	-1.2307
51	Y	A	-0.2373
52	G	A	-1.4260
53	D	A	-2.6965
54	K	A	-2.6194
55	S	A	-0.7732
56	V	A	-0.0485
57	Y	A	1.3687
58	F	A	2.5264
59	D	A	0.0000
60	L	A	1.5345
61	E	A	-0.5988
62	D	A	0.1833
63	I	A	1.7515
64	A	A	0.2693
65	N	A	0.1552
66	T	A	1.1652
67	T	A	0.4094
68	G	A	-0.2813
69	Q	A	-0.7764
70	W	A	0.2035
71	D	A	-0.4399
72	V	A	1.5689
73	Y	A	1.3160
74	G	A	-0.3230
75	S	A	-1.0284
76	D	A	-1.9311
77	A	A	-1.1570
78	P	A	-0.6895
79	S	A	-0.4971
80	P	A	-0.1035
81	Y	A	0.2707
82	N	A	-0.8562
83	S	A	-0.2950
84	L	A	0.7934
85	Q	A	0.0639
86	S	A	-0.2450
87	K	A	-0.4949
88	F	A	1.8961
89	F	A	2.0344
90	E	A	-0.4263
91	T	A	0.6766
92	F	A	2.4575
93	A	A	1.3127
94	A	A	0.6544
95	P	A	0.3759
96	F	A	1.5917
97	T	A	-0.4931
98	K	A	-1.4718
99	R	A	-1.5538
100	G	A	-0.1809
101	L	A	1.3705
102	L	A	2.1337
103	L	A	2.6565
104	K	A	1.8427
105	F	A	3.8664
106	L	A	4.1637
107	I	A	3.9078
108	L	A	3.4781
109	G	A	2.6414
110	G	A	2.3802
111	G	A	2.4895
112	S	A	2.2512
113	L	A	3.4978
114	L	A	3.0115
115	T	A	1.9186
116	Y	A	2.6753
117	V	A	2.7545
118	S	A	1.4111
119	A	A	0.6980
120	N	A	-0.3933
121	A	A	0.1538
122	P	A	-1.0800
123	Q	A	-1.9489
124	D	A	-1.5664
125	V	A	0.7878
126	L	A	0.7797
127	P	A	0.0871
128	I	A	1.2959
129	T	A	-0.4117
130	R	A	-1.9696
131	G	A	-1.0608
132	P	A	-1.4616
133	Q	A	-2.3342
134	Q	A	-2.2978
135	P	A	-1.4856
136	P	A	-0.9196
137	K	A	-1.2488
138	L	A	0.1850
139	G	A	-0.5844
140	P	A	-1.3014
141	R	A	-2.2348
142	G	A	-1.5857
143	K	A	-1.3515
144	I	A	0.8844