Project name: b91fcbf3fdf7ca1

Chain sequence(s)	A: MQSAKEKISDMASTAKEKLNIGGAKAQGHAEKTMARTKKEKKLAQEREKSKEAQAKADLHQSKAEHAADAQVHGHHLPGHSTYPTRATGANYPPGQI
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.                                          (00:00:01)

• Minimal score value: -5.7171
• Maximal score value: 1.2804
• Average score: -2.2084
• Total score value: -214.2169

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	-0.0750
2	Q	A	-1.9041
3	S	A	-1.7480
4	A	A	-1.6008
5	K	A	-2.9461
6	E	A	-3.4389
7	K	A	-2.7340
8	I	A	-0.2737
9	S	A	-1.4122
10	D	A	-2.3078
11	M	A	-0.3570
12	A	A	-0.7717
13	S	A	-1.7463
14	T	A	-1.5970
15	A	A	-1.7680
16	K	A	-2.8598
17	E	A	-3.1030
18	K	A	-2.4941
19	L	A	-1.0291
20	N	A	-1.9786
21	I	A	-0.8568
22	G	A	-1.3656
23	G	A	-1.5480
24	A	A	-1.3491
25	K	A	-2.4845
26	A	A	-2.2166
27	Q	A	-3.0065
28	G	A	-2.9365
29	H	A	-2.9984
30	A	A	-2.5000
31	E	A	-3.4309
32	K	A	-3.5209
33	T	A	-2.2632
34	M	A	-1.7887
35	A	A	-3.0893
36	R	A	-4.0980
37	T	A	-3.6002
38	K	A	-4.4105
39	K	A	-4.5919
40	E	A	-4.5596
41	K	A	-5.0837
42	K	A	-4.6637
43	L	A	-2.7894
44	A	A	-3.7907
45	Q	A	-4.7669
46	E	A	-4.8481
47	R	A	-5.2280
48	E	A	-5.7171
49	K	A	-5.4273
50	S	A	-4.4753
51	K	A	-5.2499
52	E	A	-4.9091
53	A	A	-3.4859
54	Q	A	-3.5523
55	A	A	-2.9259
56	K	A	-3.1260
57	A	A	-2.5684
58	D	A	-2.9951
59	L	A	-1.3465
60	H	A	-2.5863
61	Q	A	-3.1318
62	S	A	-2.5824
63	K	A	-3.1394
64	A	A	-2.5513
65	E	A	-3.5211
66	H	A	-3.1945
67	A	A	-1.8740
68	A	A	-1.7919
69	D	A	-2.1461
70	A	A	-1.6295
71	Q	A	-1.5005
72	V	A	-0.1763
73	H	A	-1.5117
74	G	A	-1.4750
75	H	A	-1.3912
76	H	A	-0.9723
77	L	A	0.2315
78	P	A	-0.4306
79	G	A	-0.8896
80	H	A	-0.9485
81	S	A	-0.5074
82	T	A	0.0195
83	Y	A	0.6400
84	P	A	-0.2927
85	T	A	-0.7219
86	R	A	-1.8181
87	A	A	-1.0919
88	T	A	-1.0084
89	G	A	-0.9413
90	A	A	-0.4487
91	N	A	-0.8512
92	Y	A	0.3966
93	P	A	-0.3444
94	P	A	-0.4869
95	G	A	-0.5679
96	Q	A	-0.5504
97	I	A	1.2804