Project name: fbed699d9942e55

Chain sequence(s)	A: MIQRTPKIQVYSRHPAENGKSNFLNCYVSGFHPSDIEVDLLKNGERIEKVEHSDLSFSKDWSFYLLYYTEFTPTEKDEYACRVNHVTLSQPKIVKWDRD
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]                                                (00:00:01)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:01)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with A chain(s) selected             (00:00:01)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:01)
[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: -4.14
• Maximal score value: 1.467
• Average score: -1.078
• Total score value: -106.724

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
0	M	A	1.4597
1	I	A	1.1521
2	Q	A	-0.2904
3	R	A	-0.7505
4	T	A	-0.6876
5	P	A	0.0000
6	K	A	-1.7336
7	I	A	-0.6628
8	Q	A	-0.6878
9	V	A	-0.4348
10	Y	A	-0.9726
11	S	A	-1.6397
12	R	A	-2.4489
13	H	A	-3.1474
14	P	A	-2.3847
15	A	A	-2.1627
16	E	A	-2.9129
17	N	A	-3.1369
18	G	A	-3.0342
19	K	A	-2.8175
20	S	A	-2.5043
21	N	A	-2.1216
22	F	A	-1.3080
23	L	A	0.0000
24	N	A	0.0000
25	C	A	0.0000
26	Y	A	0.1473
27	V	A	0.0000
28	S	A	-0.0547
29	G	A	-0.3958
30	F	A	0.0000
31	H	A	-0.2151
32	P	A	-0.4371
33	S	A	-0.4494
34	D	A	-1.7080
35	I	A	-1.0483
36	E	A	-1.8967
37	V	A	-0.8479
38	D	A	0.0000
39	L	A	0.0000
40	L	A	0.0000
41	K	A	-3.1769
42	N	A	-3.2784
43	G	A	-2.6549
44	E	A	-3.7755
45	R	A	-3.5770
46	I	A	-2.6569
47	E	A	-3.2487
48	K	A	-3.0282
49	V	A	-1.9337
50	E	A	-1.9290
51	H	A	-1.3883
52	S	A	-0.7473
53	D	A	-0.8909
54	L	A	1.1874
55	S	A	0.9515
56	F	A	1.4670
57	S	A	-0.3647
58	K	A	-1.8821
59	D	A	-1.8126
60	W	A	-0.2303
61	S	A	0.0000
62	F	A	0.6982
63	Y	A	0.9939
64	L	A	0.0000
65	L	A	0.2891
66	Y	A	0.1022
67	Y	A	-0.6721
68	T	A	0.0000
69	E	A	-1.9937
70	F	A	0.0000
71	T	A	-0.5894
72	P	A	-1.4684
73	T	A	-1.9115
74	E	A	-3.1326
75	K	A	-3.2588
76	D	A	-3.0680
77	E	A	-4.1400
78	Y	A	0.0000
79	A	A	0.0000
80	C	A	0.0000
81	R	A	-0.7844
82	V	A	0.0000
83	N	A	-1.1027
84	H	A	0.0000
85	V	A	0.8663
86	T	A	0.3208
87	L	A	-0.1542
88	S	A	-0.5697
89	Q	A	-1.2660
90	P	A	-1.0832
91	K	A	-0.8495
92	I	A	0.5724
93	V	A	-0.2535
94	K	A	-2.2163
95	W	A	0.0000
96	D	A	-3.2054
97	R	A	-3.1177
98	D	A	-2.6275