Project name: 3746d3ef7dd0f0b

Chain sequence(s)	A: MWIKWIATLVAFGALVQSAVACPSQCSCSGTEVNCGNKGLASVPPGIPTTTEKLVLFSNQITKLEPGVFDSLTQLTILALNDNQLQALSEGLFDRLGKLQHLDLSKNQLKSIPRGAFDNLKSLTHIWLFGNPW
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.    (00:00:02)
[INFO]       Analysis: Starting Aggrescan4D on folded.pdb                                          (00:00:02)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:03)

• Minimal score value: -3.1951
• Maximal score value: 3.0144
• Average score: -0.4526
• Total score value: -60.1951

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	1.8760
2	W	A	2.3543
3	I	A	2.5230
4	K	A	0.7819
5	W	A	1.9955
6	I	A	2.5734
7	A	A	1.7562
8	T	A	1.8856
9	L	A	2.8951
10	V	A	3.0144
11	A	A	2.1630
12	F	A	2.6574
13	G	A	1.4456
14	A	A	1.5006
15	L	A	2.1750
16	V	A	1.8396
17	Q	A	0.3107
18	S	A	0.4559
19	A	A	0.7913
20	V	A	1.6522
21	A	A	0.9891
22	C	A	0.4269
23	P	A	0.0000
24	S	A	-0.6030
25	Q	A	-1.3349
26	C	A	-0.8663
27	S	A	-0.4305
28	C	A	-0.0150
29	S	A	-0.5869
30	G	A	-0.8515
31	T	A	-1.0884
32	E	A	-1.1346
33	V	A	0.0000
34	N	A	-0.9664
35	C	A	0.0000
36	G	A	0.0000
37	N	A	-2.2605
38	K	A	-2.6080
39	G	A	-1.8311
40	L	A	-1.1893
41	A	A	-1.0178
42	S	A	-0.8985
43	V	A	-0.3250
44	P	A	0.0000
45	P	A	-0.4242
46	G	A	-0.2200
47	I	A	0.2241
48	P	A	0.1324
49	T	A	-0.3608
50	T	A	-0.4851
51	T	A	0.0000
52	E	A	-1.7235
53	K	A	-1.2196
54	L	A	0.0000
55	V	A	0.0000
56	L	A	0.0000
57	F	A	-0.6731
58	S	A	-1.5169
59	N	A	0.0000
60	Q	A	-2.1471
61	I	A	0.0000
62	T	A	-1.9112
63	K	A	-2.6905
64	L	A	0.0000
65	E	A	-2.1620
66	P	A	-1.7517
67	G	A	-1.6045
68	V	A	-0.5872
69	F	A	0.0000
70	D	A	-1.9416
71	S	A	-1.0701
72	L	A	0.0000
73	T	A	-1.6898
74	Q	A	-1.5295
75	L	A	0.0000
76	T	A	-1.0750
77	I	A	-0.5416
78	L	A	0.0000
79	A	A	-0.0551
80	L	A	0.0000
81	N	A	-0.8464
82	D	A	-2.2606
83	N	A	0.0000
84	Q	A	-2.4980
85	L	A	0.0000
86	Q	A	-2.5517
87	A	A	-1.6630
88	L	A	0.0000
89	S	A	-1.5558
90	E	A	-2.3902
91	G	A	-2.2542
92	L	A	0.0000
93	F	A	0.0000
94	D	A	-3.1238
95	R	A	-3.1951
96	L	A	0.0000
97	G	A	-2.5867
98	K	A	-2.4500
99	L	A	0.0000
100	Q	A	-1.2605
101	H	A	-0.6058
102	L	A	0.0000
103	D	A	0.0493
104	L	A	0.0000
105	S	A	0.0000
106	K	A	-2.0407
107	N	A	0.0000
108	Q	A	-2.5905
109	L	A	0.0000
110	K	A	-1.8037
111	S	A	-1.0155
112	I	A	-0.3950
113	P	A	-1.2075
114	R	A	-2.3350
115	G	A	-2.1033
116	A	A	0.0000
117	F	A	-1.5008
118	D	A	-2.7607
119	N	A	-2.8339
120	L	A	0.0000
121	K	A	-2.6861
122	S	A	-1.6860
123	L	A	-1.1254
124	T	A	-0.6770
125	H	A	-0.5002
126	I	A	0.7397
127	W	A	0.9576
128	L	A	1.3590
129	F	A	1.7199
130	G	A	-0.3257
131	N	A	-0.9851
132	P	A	-0.7189
133	W	A	0.4808