Project name: cd37bf740d933c1

Chain sequence(s)	A: MAKSTILVALLALVLVAHASAMRRERGRQGDSSSCERQVDRVNLKPCEQHIMQRIMGEQEQYDSYDIRSTRSSDQQQRCCDELNEMENTQRCMCEALQQIMENQCDRLQDRQMVQQFKRELMNLPQQCNFRAPQRCDLDVSGGRC
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: -5.1452
• Maximal score value: 5.2452
• Average score: -1.4754
• Total score value: -213.9357

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	0.7304
2	A	A	0.3247
3	K	A	-0.2689
4	S	A	0.8122
5	T	A	1.8301
6	I	A	3.4540
7	L	A	3.8302
8	V	A	4.1296
9	A	A	3.8726
10	L	A	5.2277
11	L	A	5.2452
12	A	A	4.3674
13	L	A	4.5116
14	V	A	4.1511
15	L	A	3.8631
16	V	A	3.6511
17	A	A	2.1205
18	H	A	0.5155
19	A	A	0.5336
20	S	A	-0.6059
21	A	A	-1.3212
22	M	A	-1.6726
23	R	A	-3.9708
24	R	A	-4.6267
25	E	A	-4.8977
26	R	A	-5.1452
27	G	A	-4.4483
28	R	A	-4.9578
29	Q	A	-4.2201
30	G	A	-3.2471
31	D	A	-3.5122
32	S	A	-2.7698
33	S	A	-2.1778
34	S	A	-2.2841
35	C	A	0.0000
36	E	A	-4.0806
37	R	A	-3.9991
38	Q	A	-3.5427
39	V	A	0.0000
40	D	A	-4.1510
41	R	A	-3.9792
42	V	A	-3.2008
43	N	A	-2.9763
44	L	A	0.0000
45	K	A	-2.6177
46	P	A	-2.2355
47	C	A	0.0000
48	E	A	0.0000
49	Q	A	-1.2304
50	H	A	0.0000
51	I	A	0.0000
52	M	A	-0.5306
53	Q	A	-1.0748
54	R	A	-1.6914
55	I	A	0.0000
56	M	A	-1.4816
57	G	A	-2.5314
58	E	A	-3.2184
59	Q	A	-3.0916
60	E	A	-3.3903
61	Q	A	-2.5039
62	Y	A	-1.0199
63	D	A	-1.6377
64	S	A	-0.5918
65	Y	A	0.1763
66	D	A	-1.0388
67	I	A	0.2859
68	R	A	-1.2307
69	S	A	-1.1531
70	T	A	-1.4661
71	R	A	-2.6496
72	S	A	-2.1061
73	S	A	-2.4590
74	D	A	-3.4172
75	Q	A	-3.1133
76	Q	A	-2.7169
77	Q	A	-3.4061
78	R	A	-4.2077
79	C	A	0.0000
80	C	A	-2.9623
81	D	A	-3.9942
82	E	A	-3.6252
83	L	A	0.0000
84	N	A	-3.8225
85	E	A	-3.8588
86	M	A	0.0000
87	E	A	-3.3941
88	N	A	-3.3428
89	T	A	-2.3377
90	Q	A	-2.6041
91	R	A	-2.6371
92	C	A	0.0000
93	M	A	0.0000
94	C	A	-1.4878
95	E	A	-1.7573
96	A	A	0.0000
97	L	A	0.0000
98	Q	A	-1.9490
99	Q	A	-1.9019
100	I	A	0.0000
101	M	A	0.0000
102	E	A	-3.1171
103	N	A	-2.6434
104	Q	A	0.0000
105	C	A	-2.8960
106	D	A	-3.6461
107	R	A	-3.4932
108	L	A	0.0000
109	Q	A	-3.6953
110	D	A	-3.9057
111	R	A	-3.7923
112	Q	A	-3.2629
113	M	A	-2.6129
114	V	A	-2.7268
115	Q	A	-3.1069
116	Q	A	-2.4075
117	F	A	0.0000
118	K	A	-2.5568
119	R	A	-2.6988
120	E	A	-1.7906
121	L	A	0.0000
122	M	A	-1.2424
123	N	A	-1.6079
124	L	A	0.0000
125	P	A	0.0000
126	Q	A	-2.2612
127	Q	A	-1.5381
128	C	A	-2.0043
129	N	A	-2.2639
130	F	A	-2.1890
131	R	A	-2.8120
132	A	A	-2.3474
133	P	A	0.0000
134	Q	A	-2.7252
135	R	A	-3.0323
136	C	A	-2.5330
137	D	A	-2.9889
138	L	A	0.0000
139	D	A	-3.0825
140	V	A	-2.2358
141	S	A	-1.4511
142	G	A	-1.5615
143	G	A	-1.9771
144	R	A	-3.0278
145	C	A	-2.7925