Project name: 4672bbac886dc1c

Chain sequence(s)	A: MKYFSRMTKETSNPEKNNIVLMGRKTWDSIPAKFRPLPNRVNVVLSSQAKSDSNKFTGSIACDTFDSAIQEALQREGKVETVWVIGGYSIYKAALESEYIHRLYITRVLREYDCDTFFPEFDHHKFKKLVDPSVPSELQEEDGVQYR
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]                                                (00:00:02)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:02)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with A chain(s) selected             (00:00:02)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:02)
[INFO]       runJob:   FoldX not utilized. Treating input pdb file as it was already optimized.    (00:00:03)
[INFO]       Analysis: Starting Aggrescan4D on folded.pdb                                          (00:00:03)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:05)

• Minimal score value: -3.5896
• Maximal score value: 2.1469
• Average score: -0.9811
• Total score value: -144.2275

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	0.4332
2	K	A	-1.0478
3	Y	A	-0.0681
4	F	A	0.3452
5	S	A	-0.8445
6	R	A	-1.4303
7	M	A	0.0000
8	T	A	0.0000
9	K	A	-2.0384
10	E	A	-2.8775
11	T	A	-2.1594
12	S	A	-1.4446
13	N	A	-2.1178
14	P	A	-2.2344
15	E	A	-2.9942
16	K	A	-3.3259
17	N	A	-2.8002
18	N	A	0.0000
19	I	A	0.0000
20	V	A	0.0000
21	L	A	0.0000
22	M	A	0.0000
23	G	A	0.0000
24	R	A	-2.4954
25	K	A	-2.6031
26	T	A	-1.4860
27	W	A	0.0000
28	D	A	-2.5900
29	S	A	-1.4620
30	I	A	-0.5372
31	P	A	-0.4732
32	A	A	-0.6157
33	K	A	-0.9174
34	F	A	0.8664
35	R	A	-0.3819
36	P	A	-0.3619
37	L	A	-0.1382
38	P	A	-0.6169
39	N	A	-1.8436
40	R	A	0.0000
41	V	A	-0.0595
42	N	A	0.0000
43	V	A	0.0000
44	V	A	0.0000
45	L	A	0.0000
46	S	A	0.0000
47	S	A	-1.6691
48	Q	A	-2.3139
49	A	A	0.0000
50	K	A	-2.6444
51	S	A	-1.9364
52	D	A	0.0000
53	S	A	-2.1349
54	N	A	-2.5141
55	K	A	-2.7341
56	F	A	0.0000
57	T	A	-1.2619
58	G	A	-0.8736
59	S	A	-0.4306
60	I	A	0.3067
61	A	A	-1.1849
62	C	A	0.0000
63	D	A	-2.0772
64	T	A	-1.2454
65	F	A	-1.1080
66	D	A	-2.1957
67	S	A	-1.4539
68	A	A	0.0000
69	I	A	0.0000
70	Q	A	-1.7645
71	E	A	-1.3325
72	A	A	0.0000
73	L	A	-0.8851
74	Q	A	-2.0643
75	R	A	-2.5693
76	E	A	-3.0237
77	G	A	-2.7615
78	K	A	-3.5896
79	V	A	-2.3302
80	E	A	-2.2310
81	T	A	-0.5868
82	V	A	0.8158
83	W	A	0.5011
84	V	A	0.8919
85	I	A	0.7321
86	G	A	0.0000
87	G	A	0.2490
88	Y	A	1.2165
89	S	A	0.1774
90	I	A	0.0000
91	Y	A	0.1441
92	K	A	-1.0061
93	A	A	-1.0413
94	A	A	0.0000
95	L	A	-1.4238
96	E	A	-2.0305
97	S	A	-1.6275
98	E	A	-1.6957
99	Y	A	-0.2029
100	I	A	-0.4673
101	H	A	-1.2574
102	R	A	-1.3493
103	L	A	0.1953
104	Y	A	1.1025
105	I	A	1.1860
106	T	A	0.1387
107	R	A	-1.1747
108	V	A	-0.2290
109	L	A	-0.3388
110	R	A	-1.7539
111	E	A	-1.9274
112	Y	A	-0.6126
113	D	A	-1.5779
114	C	A	-0.4741
115	D	A	-1.2892
116	T	A	0.4343
117	F	A	2.1469
118	F	A	1.7958
119	P	A	0.0000
120	E	A	-1.5713
121	F	A	-1.8977
122	D	A	-2.5517
123	H	A	-3.0255
124	H	A	-2.9349
125	K	A	-2.8780
126	F	A	-2.4107
127	K	A	-2.5168
128	K	A	-1.6258
129	L	A	1.0024
130	V	A	1.7924
131	D	A	0.7343
132	P	A	0.2624
133	S	A	0.0822
134	V	A	0.3085
135	P	A	-0.6042
136	S	A	-0.9673
137	E	A	-1.9445
138	L	A	-1.0129
139	Q	A	-1.9596
140	E	A	-3.2857
141	E	A	-3.5737
142	D	A	-3.2043
143	G	A	-2.3448
144	V	A	-1.8067
145	Q	A	-1.9456
146	Y	A	-1.5900
147	R	A	-2.0758