Project name: 213b28a28d2f69c

Chain sequence(s)	A: MAMSFSGAVLTGMASSFHSGAKQSSFGAVRVGQKTQFVVVSQRKKSLIYAAKGDGNILDDLNEATKKASDFVTDKTKEALADGEKAKDYVVEKNSETADTLGKEAEKAAAYVEEKGKEAANKAAEFAEGKAGEAKDATK
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: -4.4866
• Maximal score value: 3.8306
• Average score: -1.3875
• Total score value: -192.8666

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	1.3241
2	A	A	1.2358
3	M	A	1.6531
4	S	A	1.2778
5	F	A	1.8658
6	S	A	0.7336
7	G	A	0.4867
8	A	A	1.2500
9	V	A	2.3541
10	L	A	2.2388
11	T	A	1.1623
12	G	A	0.5596
13	M	A	0.7681
14	A	A	0.3549
15	S	A	0.3218
16	S	A	0.4702
17	F	A	1.1971
18	H	A	-0.3440
19	S	A	-0.6393
20	G	A	-1.0982
21	A	A	-1.5702
22	K	A	-2.4532
23	Q	A	-1.9788
24	S	A	-0.8877
25	S	A	-0.0801
26	F	A	1.9991
27	G	A	1.0616
28	A	A	1.4484
29	V	A	1.9209
30	R	A	-0.3841
31	V	A	0.7028
32	G	A	-0.9837
33	Q	A	-2.2816
34	K	A	-2.2429
35	T	A	-1.4180
36	Q	A	-0.7326
37	F	A	2.4940
38	V	A	3.2233
39	V	A	3.8306
40	V	A	2.3926
41	S	A	0.0943
42	Q	A	-2.0415
43	R	A	-3.3034
44	K	A	-3.6076
45	K	A	-2.8422
46	S	A	-0.8228
47	L	A	1.7940
48	I	A	3.5013
49	Y	A	3.6094
50	A	A	2.0146
51	A	A	0.2200
52	K	A	-2.0809
53	G	A	-2.5123
54	D	A	-2.8584
55	G	A	-2.5229
56	N	A	-2.2903
57	I	A	-1.6345
58	L	A	-0.4946
59	D	A	-2.9208
60	D	A	-3.2678
61	L	A	-1.9074
62	N	A	-3.2576
63	E	A	-4.1264
64	A	A	-2.9597
65	T	A	-2.7843
66	K	A	-3.6966
67	K	A	-2.9740
68	A	A	-1.3960
69	S	A	-1.5758
70	D	A	-2.2047
71	F	A	-0.0672
72	V	A	0.1084
73	T	A	-1.5117
74	D	A	-2.9863
75	K	A	-2.8013
76	T	A	-2.1790
77	K	A	-3.4671
78	E	A	-3.9053
79	A	A	-2.6235
80	L	A	-2.4704
81	A	A	-2.8714
82	D	A	-3.4034
83	G	A	-3.1012
84	E	A	-3.9340
85	K	A	-3.4553
86	A	A	-1.9378
87	K	A	-2.3779
88	D	A	-2.3335
89	Y	A	-0.3338
90	V	A	0.0564
91	V	A	0.1333
92	E	A	-1.9781
93	K	A	-2.7024
94	N	A	-2.2405
95	S	A	-2.2395
96	E	A	-2.9277
97	T	A	-1.7527
98	A	A	-1.2204
99	D	A	-2.0804
100	T	A	-1.4436
101	L	A	-0.6245
102	G	A	-2.3063
103	K	A	-3.6965
104	E	A	-3.4699
105	A	A	-2.4820
106	E	A	-3.2796
107	K	A	-3.2015
108	A	A	-1.3369
109	A	A	-1.2408
110	A	A	-1.3487
111	Y	A	-0.2374
112	V	A	-0.1925
113	E	A	-2.7660
114	E	A	-3.3891
115	K	A	-3.1874
116	G	A	-3.1444
117	K	A	-4.3102
118	E	A	-4.4866
119	A	A	-3.2712
120	A	A	-2.6709
121	N	A	-3.4031
122	K	A	-3.2101
123	A	A	-1.7019
124	A	A	-1.8742
125	E	A	-2.7451
126	F	A	-0.6479
127	A	A	-1.5619
128	E	A	-3.0611
129	G	A	-2.4558
130	K	A	-3.0846
131	A	A	-2.7469
132	G	A	-3.2751
133	E	A	-3.8783
134	A	A	-2.6987
135	K	A	-3.7073
136	D	A	-3.6705
137	A	A	-2.2468
138	T	A	-2.1024
139	K	A	-2.4890