Project name: 19c17d66eebdc94

Chain sequence(s)	A: MASQLSAMTSVPQFHGLRTYSSPRSMATLPSLRRRRSQGIRCDYIGSSTNLIMVTTTTLMLFAGRFGLAPSANRKATAGLKLEARESGLQTGDPAGFTLADTLACGAVGHIMGVGIVLGLKNTGVLDQIIG
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.    (00:00:00)
[INFO]       Analysis: Starting Aggrescan4D on folded.pdb                                          (00:00:01)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:01)

• Minimal score value: -4.2035
• Maximal score value: 3.0529
• Average score: 0.1612
• Total score value: 21.1116

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	0.9048
2	A	A	0.3268
3	S	A	-0.1637
4	Q	A	-0.4644
5	L	A	0.9387
6	S	A	0.5556
7	A	A	0.6278
8	M	A	1.2930
9	T	A	0.7523
10	S	A	0.6848
11	V	A	1.5833
12	P	A	0.3483
13	Q	A	-0.2815
14	F	A	1.0774
15	H	A	-0.5042
16	G	A	-0.1957
17	L	A	0.5258
18	R	A	-1.0559
19	T	A	-0.0242
20	Y	A	0.7918
21	S	A	-0.1634
22	S	A	-0.7436
23	P	A	-1.0440
24	R	A	-1.8742
25	S	A	-0.6856
26	M	A	0.6439
27	A	A	0.6646
28	T	A	0.8827
29	L	A	1.7249
30	P	A	0.5090
31	S	A	-0.0432
32	L	A	-0.1655
33	R	A	-2.9214
34	R	A	-3.7401
35	R	A	-4.2035
36	R	A	-4.0996
37	S	A	-2.4049
38	Q	A	-2.2024
39	G	A	-0.9247
40	I	A	0.6488
41	R	A	-1.1194
42	C	A	0.2776
43	D	A	-0.8761
44	Y	A	1.2049
45	I	A	2.1796
46	G	A	0.8094
47	S	A	0.6814
48	S	A	1.5022
49	T	A	1.3975
50	N	A	1.5239
51	L	A	2.4500
52	I	A	1.7985
53	M	A	2.1481
54	V	A	2.4354
55	T	A	1.8086
56	T	A	2.3052
57	T	A	2.0684
58	T	A	1.9158
59	L	A	2.5157
60	M	A	2.3184
61	L	A	2.1060
62	F	A	3.0529
63	A	A	2.3093
64	G	A	0.0000
65	R	A	0.8319
66	F	A	2.4035
67	G	A	1.4674
68	L	A	2.1402
69	A	A	0.8968
70	P	A	-0.9271
71	S	A	-0.7202
72	A	A	-1.0679
73	N	A	-2.5403
74	R	A	-2.9720
75	K	A	-3.0806
76	A	A	-1.3705
77	T	A	-1.0273
78	A	A	-0.1900
79	G	A	-0.1693
80	L	A	0.2278
81	K	A	-1.6855
82	L	A	-1.7377
83	E	A	-3.3540
84	A	A	-2.9742
85	R	A	-3.8947
86	E	A	-3.1149
87	S	A	-1.5810
88	G	A	-0.9700
89	L	A	0.4454
90	Q	A	-0.9301
91	T	A	-0.3373
92	G	A	-0.8400
93	D	A	-0.8661
94	P	A	-0.6950
95	A	A	-0.3033
96	G	A	-0.3112
97	F	A	0.2972
98	T	A	0.0000
99	L	A	2.1385
100	A	A	1.5452
101	D	A	0.0000
102	T	A	1.6213
103	L	A	2.1969
104	A	A	1.2823
105	C	A	0.0000
106	G	A	1.6772
107	A	A	1.4135
108	V	A	2.3733
109	G	A	0.0000
110	H	A	1.4995
111	I	A	2.9406
112	M	A	2.6622
113	G	A	0.0000
114	V	A	2.6687
115	G	A	1.7203
116	I	A	1.7283
117	V	A	1.4190
118	L	A	1.2336
119	G	A	0.1380
120	L	A	-0.2230
121	K	A	-1.8265
122	N	A	-1.5711
123	T	A	-1.2336
124	G	A	-1.5273
125	V	A	-0.3457
126	L	A	0.0000
127	D	A	-1.3002
128	Q	A	-0.4247
129	I	A	1.8542
130	I	A	1.8099
131	G	A	0.1993