Project name: 1bdd2def1eccc23

Chain sequence(s)	A: MSHHHHHHSGSEYAERLTGDREKGEELLREMREEIAKILKENGIEIEPDSPEMLEFMRRVLEAALEEELELPELRIEKYYYDDYHLRYLGKELARDNEKVVKVVRDFVVKKAKEQGIPEEKGEEVAEEVLEVVGYYLAKMLYAGLLSKRNS
Selected Chain(s)	A
Distance of aggregation	10 Å
FoldX usage	Yes
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]       FoldX:    Starting FoldX energy minimalization                                        (00:00:00)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:05:47)
[INFO]       Main:     Simulation completed successfully.                                          (00:05:47)

• Minimal score value: -5.0037
• Maximal score value: 0.5387
• Average score: -1.7838
• Total score value: -269.357

The table below lists A3D score for protein residues. Residues with A3D score > 0.0000 are marked by yellow rows.

residue index	residue name	chain	Aggrescan3D score	mutation
1	M	A	0.5387
2	S	A	-0.6284
3	H	A	-1.7449
4	H	A	-2.3466
5	H	A	-2.6787
6	H	A	-2.5964
7	H	A	-2.3900
8	H	A	-1.8498
9	S	A	-1.3347
10	G	A	-1.4324
11	S	A	-2.4486
12	E	A	-2.4399
13	Y	A	-2.0382
14	A	A	0.0000
15	E	A	-3.7437
16	R	A	-2.8774
17	L	A	0.0000
18	T	A	0.0000
19	G	A	-2.7562
20	D	A	-3.9882
21	R	A	-5.0037
22	E	A	-4.6660
23	K	A	-4.2937
24	G	A	0.0000
25	E	A	-4.8573
26	E	A	-4.6523
27	L	A	0.0000
28	L	A	0.0000
29	R	A	-4.3461
30	E	A	-3.7282
31	M	A	0.0000
32	R	A	-2.7458
33	E	A	-3.5029
34	E	A	-2.4431
35	I	A	0.0000
36	A	A	0.0000
37	K	A	-3.6941
38	I	A	-2.5976
39	L	A	0.0000
40	K	A	-4.1775
41	E	A	-3.5169
42	N	A	-2.6211
43	G	A	-2.4558
44	I	A	0.0000
45	E	A	-3.4285
46	I	A	-2.6922
47	E	A	-3.4911
48	P	A	-3.2868
49	D	A	-2.9703
50	S	A	0.0000
51	P	A	-1.5200
52	E	A	-2.0067
53	M	A	0.0000
54	L	A	-1.2871
55	E	A	-1.2071
56	F	A	0.0000
57	M	A	0.0000
58	R	A	-1.5530
59	R	A	-1.7146
60	V	A	0.0000
61	L	A	0.0000
62	E	A	-1.9947
63	A	A	0.0000
64	A	A	0.0000
65	L	A	-2.3276
66	E	A	-2.9540
67	E	A	-3.2039
68	E	A	-3.1219
69	L	A	-2.3104
70	E	A	-2.5125
71	L	A	0.0000
72	P	A	-1.9604
73	E	A	-2.9786
74	L	A	-1.9704
75	R	A	-2.7181
76	I	A	-1.6161
77	E	A	-2.4479
78	K	A	-2.1448
79	Y	A	-0.5854
80	Y	A	0.3892
81	Y	A	0.0000
82	D	A	-2.0247
83	D	A	-2.2422
84	Y	A	-0.3038
85	H	A	-0.5477
86	L	A	0.0000
87	R	A	-1.4624
88	Y	A	-0.3255
89	L	A	0.0000
90	G	A	0.0000
91	K	A	-2.6480
92	E	A	-2.7685
93	L	A	0.0000
94	A	A	0.0000
95	R	A	-4.2073
96	D	A	-3.6292
97	N	A	0.0000
98	E	A	-3.5216
99	K	A	-3.3039
100	V	A	0.0000
101	V	A	-2.8411
102	K	A	-3.1158
103	V	A	-1.9262
104	V	A	0.0000
105	R	A	-2.9615
106	D	A	-2.9347
107	F	A	-1.8008
108	V	A	0.0000
109	V	A	-3.2947
110	K	A	-3.6322
111	K	A	-3.0928
112	A	A	0.0000
113	K	A	-3.8296
114	E	A	-3.4809
115	Q	A	-2.8140
116	G	A	-2.0590
117	I	A	-2.2174
118	P	A	-2.4619
119	E	A	-3.7600
120	E	A	-3.6348
121	K	A	-3.2128
122	G	A	0.0000
123	E	A	-4.0795
124	E	A	-4.0221
125	V	A	0.0000
126	A	A	0.0000
127	E	A	-3.5596
128	E	A	-2.8164
129	V	A	0.0000
130	L	A	0.0000
131	E	A	-2.4679
132	V	A	0.0000
133	V	A	0.0000
134	G	A	0.0000
135	Y	A	0.0000
136	Y	A	0.0000
137	L	A	0.0000
138	A	A	0.0000
139	K	A	-0.9071
140	M	A	0.0000
141	L	A	-0.4215
142	Y	A	-0.2458
143	A	A	-0.5957
144	G	A	0.0000
145	L	A	-1.1515
146	L	A	-0.8925
147	S	A	-1.9438
148	K	A	-2.9220
149	R	A	-3.0542
150	N	A	-2.6542
151	S	A	-1.8958