Project name: C_2

Chain sequence(s)	A: MGSHHHHHHMQKKNQIAAAIVLRGLAKDGKFANTEAAAKMKKSDKIAAAIVLRGLAKDGKFAAAEAAAKQNKNDQIAAAIVLRGLAKGGKFANAEAAAKKKKNDQIAAALVLRGVAKSGKFAGAEAAAKITRNDEIAAAIVLRGMAKGGRFFASEAAAKMKKDDQIAAAIALRGMAKDGKFAVKGGG
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                                        (00:00:01)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:05:50)
[INFO]       Main:     Simulation completed successfully.                                          (00:05:51)

• Minimal score value: -4.0528
• Maximal score value: 2.869
• Average score: -1.1216
• Total score value: -209.7368

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	-0.3314
2	G	A	-1.3792
3	S	A	-1.8460
4	H	A	-1.9783
5	H	A	-1.4468
6	H	A	-1.8142
7	H	A	-1.8116
8	H	A	-1.9336
9	H	A	-2.7925
10	M	A	-2.2813
11	Q	A	-2.8857
12	K	A	-3.5127
13	K	A	-3.5376
14	N	A	-3.1962
15	Q	A	-2.9817
16	I	A	-1.9883
17	A	A	-1.5333
18	A	A	-1.0110
19	A	A	0.0000
20	I	A	0.0000
21	V	A	0.3084
22	L	A	0.0036
23	R	A	-1.4794
24	G	A	0.0000
25	L	A	-0.9891
26	A	A	-1.8680
27	K	A	-2.8760
28	D	A	-3.1684
29	G	A	-2.4370
30	K	A	-2.4951
31	F	A	-1.2906
32	A	A	-0.7271
33	N	A	-1.1520
34	T	A	-1.5156
35	E	A	-2.3084
36	A	A	0.0000
37	A	A	-1.5798
38	A	A	-1.7150
39	K	A	-2.3042
40	M	A	-2.2721
41	K	A	-3.1847
42	K	A	-2.9857
43	S	A	-2.0498
44	D	A	-2.2717
45	K	A	-1.3203
46	I	A	0.5019
47	A	A	0.8196
48	A	A	0.0000
49	A	A	0.9942
50	I	A	2.6989
51	V	A	2.8441
52	L	A	1.0388
53	R	A	-0.8375
54	G	A	0.2950
55	L	A	0.8896
56	A	A	-1.2843
57	K	A	-2.8563
58	D	A	-3.1906
59	G	A	-2.5018
60	K	A	-2.2932
61	F	A	-0.3788
62	A	A	-0.6595
63	A	A	-0.5353
64	A	A	-0.8201
65	E	A	-1.9484
66	A	A	-1.6895
67	A	A	-1.9853
68	A	A	-2.6308
69	K	A	-3.9346
70	Q	A	-4.0134
71	N	A	-3.9342
72	K	A	-4.0528
73	N	A	-3.3299
74	D	A	-2.9045
75	Q	A	-1.9268
76	I	A	-0.4997
77	A	A	-0.4685
78	A	A	0.0000
79	A	A	0.0000
80	I	A	0.3978
81	V	A	0.0000
82	L	A	0.0000
83	R	A	-1.1401
84	G	A	0.0000
85	L	A	0.0000
86	A	A	-1.8108
87	K	A	-2.3644
88	G	A	-1.7722
89	G	A	-1.4006
90	K	A	-1.5269
91	F	A	-0.4118
92	A	A	-0.5120
93	N	A	-1.9287
94	A	A	0.0000
95	E	A	-1.3483
96	A	A	-1.6617
97	A	A	0.0000
98	A	A	-2.4581
99	K	A	-3.5823
100	K	A	-3.3779
101	K	A	-3.2158
102	K	A	-3.8687
103	N	A	-3.4891
104	D	A	-3.2039
105	Q	A	-2.4799
106	I	A	-1.2985
107	A	A	-0.6402
108	A	A	0.0430
109	A	A	0.0000
110	L	A	1.3783
111	V	A	2.8690
112	L	A	2.7967
113	R	A	0.0000
114	G	A	0.0000
115	V	A	2.1783
116	A	A	1.2855
117	K	A	0.0000
118	S	A	-0.2250
119	G	A	-0.1944
120	K	A	0.1190
121	F	A	1.1928
122	A	A	0.4997
123	G	A	0.3737
124	A	A	-0.0201
125	E	A	-0.7175
126	A	A	0.0000
127	A	A	0.0520
128	A	A	-1.1181
129	K	A	-2.1035
130	I	A	0.0000
131	T	A	-1.3231
132	R	A	-2.7299
133	N	A	-2.0113
134	D	A	0.0000
135	E	A	-0.1943
136	I	A	0.0000
137	A	A	0.2578
138	A	A	0.0000
139	A	A	0.0000
140	I	A	1.0577
141	V	A	0.3784
142	L	A	0.0000
143	R	A	-0.7961
144	G	A	-1.1752
145	M	A	-1.1885
146	A	A	-1.2753
147	K	A	-2.4605
148	G	A	-1.8126
149	G	A	-1.7640
150	R	A	-1.7633
151	F	A	0.4290
152	F	A	0.3061
153	A	A	0.0000
154	S	A	-0.6749
155	E	A	-0.8814
156	A	A	0.0000
157	A	A	0.0000
158	A	A	-1.8037
159	K	A	-1.9470
160	M	A	0.0000
161	K	A	-3.0163
162	K	A	-2.8742
163	D	A	-2.2626
164	D	A	-1.5357
165	Q	A	-0.8435
166	I	A	0.0000
167	A	A	0.0000
168	A	A	0.0000
169	A	A	0.0000
170	I	A	0.0000
171	A	A	-0.3021
172	L	A	0.0000
173	R	A	0.0000
174	G	A	-1.8968
175	M	A	-1.4234
176	A	A	-1.6801
177	K	A	-3.1166
178	D	A	-3.2447
179	G	A	-2.8308
180	K	A	-2.5077
181	F	A	-0.7115
182	A	A	-0.3103
183	V	A	-0.1590
184	K	A	-2.0611
185	G	A	-1.3873
186	G	A	-1.5487
187	G	A	-1.4345