Project name: N_2

Chain sequence(s)	A: MGSHHHHHHMKKDDQIAAAIALRGMAKDGKFAVKEAAAKMQKKNQIAAAIVLRGLAKDGKFANTEAAAKMKKSDKIAAAIVLRGLAKDGKFAAAEAAAKQNKNDQIAAAIVLRGLAKGGKFANAEAAAKKKKNDQIAAALVLRGVAKSGKFAGAEAAAKITRNDEIAAAIVLRGMAKGGRFFASGGG
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                                          (00:05:28)
[INFO]       Main:     Simulation completed successfully.                                          (00:05:29)

• Minimal score value: -4.897
• Maximal score value: 1.8663
• Average score: -1.0462
• Total score value: -195.6471

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	0.5269
2	G	A	-0.8122
3	S	A	-1.6442
4	H	A	-2.3232
5	H	A	-2.8617
6	H	A	-2.7968
7	H	A	-3.0805
8	H	A	-3.7529
9	H	A	-3.9916
10	M	A	-3.5078
11	K	A	-4.7472
12	K	A	-4.8970
13	D	A	-4.3113
14	D	A	-3.8907
15	Q	A	-2.9525
16	I	A	-1.2520
17	A	A	0.0000
18	A	A	-0.8527
19	A	A	0.2471
20	I	A	1.6782
21	A	A	0.9974
22	L	A	0.3157
23	R	A	-0.6384
24	G	A	0.0000
25	M	A	-1.1917
26	A	A	-1.1985
27	K	A	-2.9429
28	D	A	-3.1341
29	G	A	-2.3749
30	K	A	-2.6159
31	F	A	-1.8313
32	A	A	-1.2412
33	V	A	-0.7786
34	K	A	-1.6162
35	E	A	-1.5000
36	A	A	0.0000
37	A	A	-0.9169
38	A	A	-1.0842
39	K	A	0.0000
40	M	A	-1.3258
41	Q	A	-1.8202
42	K	A	-1.8198
43	K	A	-2.7963
44	N	A	-2.1018
45	Q	A	0.0000
46	I	A	0.0000
47	A	A	-0.2648
48	A	A	0.0000
49	A	A	0.0000
50	I	A	0.0000
51	V	A	0.6052
52	L	A	-0.4871
53	R	A	-1.2479
54	G	A	-1.0294
55	L	A	-0.1778
56	A	A	-1.5808
57	K	A	-2.6796
58	D	A	-2.8705
59	G	A	-2.5652
60	K	A	-2.3956
61	F	A	-1.3449
62	A	A	-1.4140
63	N	A	-1.6528
64	T	A	-1.4093
65	E	A	-2.3023
66	A	A	-1.3366
67	A	A	0.0000
68	A	A	-1.7740
69	K	A	-2.3858
70	M	A	0.0000
71	K	A	-2.3364
72	K	A	-1.4203
73	S	A	-0.8396
74	D	A	-0.7051
75	K	A	0.0000
76	I	A	0.7258
77	A	A	0.6506
78	A	A	0.0000
79	A	A	0.0000
80	I	A	1.3991
81	V	A	0.9937
82	L	A	0.0000
83	R	A	-1.2361
84	G	A	-0.5905
85	L	A	0.5125
86	A	A	-1.1192
87	K	A	-2.7411
88	D	A	-3.2478
89	G	A	-2.4519
90	K	A	-1.7565
91	F	A	0.9350
92	A	A	0.5315
93	A	A	0.6453
94	A	A	0.0000
95	E	A	-0.8551
96	A	A	-1.0573
97	A	A	-0.9681
98	A	A	-1.2313
99	K	A	-2.3407
100	Q	A	0.0000
101	N	A	-2.5115
102	K	A	-2.2853
103	N	A	-2.0536
104	D	A	-1.9966
105	Q	A	-1.6828
106	I	A	0.0000
107	A	A	0.0000
108	A	A	0.0000
109	A	A	0.0000
110	I	A	0.0000
111	V	A	0.0000
112	L	A	0.0000
113	R	A	-0.9814
114	G	A	0.0000
115	L	A	0.4166
116	A	A	0.0000
117	K	A	-2.0299
118	G	A	-1.7509
119	G	A	-1.7630
120	K	A	-1.8161
121	F	A	-0.0573
122	A	A	-0.6010
123	N	A	-1.5522
124	A	A	-1.2928
125	E	A	-2.5157
126	A	A	0.0000
127	A	A	-0.9227
128	A	A	0.0000
129	K	A	-1.2078
130	K	A	-0.4881
131	K	A	-0.4425
132	K	A	0.0000
133	N	A	0.0000
134	D	A	0.0000
135	Q	A	0.0000
136	I	A	0.0000
137	A	A	0.0000
138	A	A	0.0000
139	A	A	0.0000
140	L	A	0.5311
141	V	A	0.0000
142	L	A	0.0000
143	R	A	0.0000
144	G	A	-0.6011
145	V	A	0.2133
146	A	A	-1.3539
147	K	A	-2.3484
148	S	A	-1.8454
149	G	A	0.0000
150	K	A	-1.1723
151	F	A	0.0000
152	A	A	-0.9341
153	G	A	-1.5619
154	A	A	-1.9477
155	E	A	-2.6312
156	A	A	-1.8337
157	A	A	-2.4465
158	A	A	-2.4457
159	K	A	-3.0996
160	I	A	0.0000
161	T	A	0.0000
162	R	A	-2.8763
163	N	A	-1.8741
164	D	A	-0.8426
165	E	A	0.0000
166	I	A	0.8450
167	A	A	0.6570
168	A	A	0.0000
169	A	A	0.9851
170	I	A	1.8663
171	V	A	0.0000
172	L	A	-0.0697
173	R	A	-1.5087
174	G	A	-1.3903
175	M	A	-1.2862
176	A	A	-1.3499
177	K	A	-2.5463
178	G	A	-2.1050
179	G	A	-2.2283
180	R	A	-2.5721
181	F	A	-0.5407
182	F	A	-0.5313
183	A	A	-0.2873
184	S	A	-0.5951
185	G	A	-1.1254
186	G	A	-0.8023
187	G	A	-0.8028