Project name: M_2

Chain sequence(s)	A: MGSHHHHHHMQKKNQIAAAIVLRGLAKDGKFANTEAAAKMKKSDKIAAAIVLRGLAKDGKFAAAEAAAKMKKDDQIAAAIALRGMAKDGKFAVKEAAAKQNKNDQIAAAIVLRGLAKGGKFANAEAAAKKKKNDQIAAALVLRGVAKSGKFAGAEAAAKITRNDEIAAAIVLRGMAKGGRFFASGGG
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                                          (00:05:46)
[INFO]       Main:     Simulation completed successfully.                                          (00:05:47)

• Minimal score value: -3.1743
• Maximal score value: 2.1525
• Average score: -0.9696
• Total score value: -181.3235

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	0.6567
2	G	A	-0.9332
3	S	A	-0.9835
4	H	A	-1.7945
5	H	A	-2.2248
6	H	A	-2.1791
7	H	A	-2.5754
8	H	A	-2.6224
9	H	A	-2.9678
10	M	A	-2.2917
11	Q	A	-2.6598
12	K	A	-2.9587
13	K	A	-2.4785
14	N	A	-2.3069
15	Q	A	-1.9636
16	I	A	0.0000
17	A	A	-0.1788
18	A	A	-0.1100
19	A	A	0.0000
20	I	A	0.7549
21	V	A	1.5318
22	L	A	1.7856
23	R	A	0.0000
24	G	A	0.0000
25	L	A	1.2507
26	A	A	-0.0071
27	K	A	-1.5802
28	D	A	-1.8422
29	G	A	-2.0455
30	K	A	-2.1541
31	F	A	0.0000
32	A	A	-1.3283
33	N	A	-1.4062
34	T	A	-1.7735
35	E	A	-2.6872
36	A	A	-1.9474
37	A	A	0.0000
38	A	A	-2.1774
39	K	A	-2.7667
40	M	A	0.0000
41	K	A	-3.1513
42	K	A	-2.7811
43	S	A	-1.5482
44	D	A	-1.7349
45	K	A	-1.0357
46	I	A	0.6109
47	A	A	0.4619
48	A	A	0.0000
49	A	A	1.1325
50	I	A	2.0397
51	V	A	1.1130
52	L	A	0.0000
53	R	A	-1.1377
54	G	A	-0.8365
55	L	A	-1.0078
56	A	A	-2.0568
57	K	A	-3.1743
58	D	A	-3.0991
59	G	A	-2.3197
60	K	A	-2.2742
61	F	A	-0.9978
62	A	A	-1.1314
63	A	A	0.0000
64	A	A	-1.0701
65	E	A	-2.2093
66	A	A	-2.1736
67	A	A	-1.6559
68	A	A	-2.1410
69	K	A	-2.7612
70	M	A	0.0000
71	K	A	-3.0181
72	K	A	-2.9045
73	D	A	0.0000
74	D	A	0.0000
75	Q	A	-1.1754
76	I	A	0.2271
77	A	A	0.0000
78	A	A	0.0000
79	A	A	0.2411
80	I	A	0.0000
81	A	A	0.0000
82	L	A	0.2278
83	R	A	-1.6592
84	G	A	0.0000
85	M	A	-0.3248
86	A	A	-0.7866
87	K	A	-1.8534
88	D	A	-0.8937
89	G	A	0.0000
90	K	A	-1.4614
91	F	A	-1.0143
92	A	A	0.0000
93	V	A	0.0000
94	K	A	-2.3026
95	E	A	-1.6257
96	A	A	0.0000
97	A	A	-2.1696
98	A	A	-1.7249
99	K	A	-1.7356
100	Q	A	-1.6239
101	N	A	-2.3531
102	K	A	-2.6886
103	N	A	-2.7741
104	D	A	-2.4400
105	Q	A	-1.6720
106	I	A	0.1845
107	A	A	0.2607
108	A	A	0.0000
109	A	A	0.0000
110	I	A	2.1525
111	V	A	1.9275
112	L	A	0.0000
113	R	A	0.0000
114	G	A	-0.1169
115	L	A	0.0000
116	A	A	0.0000
117	K	A	-1.2793
118	G	A	-1.1668
119	G	A	-1.3855
120	K	A	-1.5243
121	F	A	-0.3989
122	A	A	-0.8132
123	N	A	-1.7109
124	A	A	-1.3167
125	E	A	-2.3872
126	A	A	-1.5832
127	A	A	-1.6524
128	A	A	-1.8621
129	K	A	-2.3300
130	K	A	-2.1131
131	K	A	-3.1089
132	K	A	-2.9774
133	N	A	-2.2890
134	D	A	-2.0414
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	0.0000
141	V	A	0.0000
142	L	A	0.0000
143	R	A	-0.4763
144	G	A	-0.7271
145	V	A	-0.0671
146	A	A	-0.6020
147	K	A	-2.0392
148	S	A	-1.5423
149	G	A	-1.2489
150	K	A	-2.0777
151	F	A	-1.3513
152	A	A	0.0000
153	G	A	0.0000
154	A	A	0.0000
155	E	A	-1.4565
156	A	A	-0.7637
157	A	A	0.0000
158	A	A	-1.5605
159	K	A	-1.8662
160	I	A	-0.1090
161	T	A	0.0000
162	R	A	-2.0746
163	N	A	-1.5382
164	D	A	-0.3153
165	E	A	0.0000
166	I	A	0.5411
167	A	A	0.5591
168	A	A	0.0000
169	A	A	0.0000
170	I	A	1.6112
171	V	A	0.0000
172	L	A	0.0000
173	R	A	-1.0737
174	G	A	-1.2794
175	M	A	-0.9636
176	A	A	-1.3673
177	K	A	-2.4902
178	G	A	-1.8108
179	G	A	-2.1306
180	R	A	-2.2141
181	F	A	-0.8674
182	F	A	0.2630
183	A	A	-0.1874
184	S	A	-0.5613
185	G	A	-0.7748
186	G	A	-0.9998
187	G	A	-0.8197