Project name: N_1

Chain sequence(s)	A: MGSHHHHHHMKKDDQIAAAIALRGMAKDGKFAVKGGGGSGGGGMQKKNQIAAAIVLRGLAKDGKFANTGGGGSGGGGMKKSDKIAAAIVLRGLAKDGKFAAAGGGGSGGGGQNKNDQIAAAIVLRGLAKGGKFANAGGGGSGGGGKKKNDQIAAALVLRGVAKSGKFAGAGGGGSGGGGITRNDEIAAAIVLRGMAKGGRFFASGGG
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                                          (00:04:20)
[INFO]       Main:     Simulation completed successfully.                                          (00:04:22)

• Minimal score value: -4.4529
• Maximal score value: 2.9428
• Average score: -1.0073
• Total score value: -208.5208

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	0.4528
2	G	A	-0.5965
3	S	A	-1.5638
4	H	A	-2.3536
5	H	A	-2.5768
6	H	A	-2.9489
7	H	A	-3.6266
8	H	A	-3.8964
9	H	A	-4.1292
10	M	A	-3.4660
11	K	A	-4.4487
12	K	A	-4.4529
13	D	A	-4.0622
14	D	A	-3.3471
15	Q	A	-1.9954
16	I	A	-0.3938
17	A	A	-0.6060
18	A	A	0.0000
19	A	A	0.4603
20	I	A	1.7433
21	A	A	0.0000
22	L	A	0.0000
23	R	A	-0.7502
24	G	A	-0.7833
25	M	A	0.0000
26	A	A	-1.6490
27	K	A	-2.8948
28	D	A	-3.1044
29	G	A	-2.3187
30	K	A	-2.6812
31	F	A	-1.2498
32	A	A	-1.0967
33	V	A	-1.8002
34	K	A	-2.7291
35	G	A	0.0000
36	G	A	-1.5827
37	G	A	-1.3673
38	G	A	0.0000
39	S	A	-1.4419
40	G	A	-1.6925
41	G	A	-1.6117
42	G	A	-1.4622
43	G	A	-1.9558
44	M	A	-2.1312
45	Q	A	-2.5074
46	K	A	-2.9409
47	K	A	-2.9536
48	N	A	-1.9634
49	Q	A	0.0000
50	I	A	-1.2658
51	A	A	0.0000
52	A	A	0.0000
53	A	A	0.0000
54	I	A	0.0000
55	V	A	0.0000
56	L	A	0.2581
57	R	A	-0.9093
58	G	A	-0.1572
59	L	A	0.1982
60	A	A	-1.0828
61	K	A	-2.4621
62	D	A	-3.2621
63	G	A	-2.7270
64	K	A	-2.8101
65	F	A	-1.7238
66	A	A	-1.7392
67	N	A	-2.2320
68	T	A	-1.5637
69	G	A	-1.7467
70	G	A	-1.5470
71	G	A	-1.3042
72	G	A	-1.1060
73	S	A	-1.0822
74	G	A	-1.5351
75	G	A	-1.6224
76	G	A	-1.5616
77	G	A	-1.8229
78	M	A	-2.1905
79	K	A	-3.3504
80	K	A	-2.8521
81	S	A	-2.8044
82	D	A	-3.5096
83	K	A	-2.9672
84	I	A	0.0000
85	A	A	-0.6844
86	A	A	0.1551
87	A	A	0.8420
88	I	A	1.8061
89	V	A	2.9428
90	L	A	2.8028
91	R	A	1.0972
92	G	A	1.3095
93	L	A	1.9646
94	A	A	0.0311
95	K	A	-1.8589
96	D	A	-1.7819
97	G	A	-1.2784
98	K	A	-1.4184
99	F	A	0.7304
100	A	A	0.0668
101	A	A	-0.1177
102	A	A	0.0749
103	G	A	-0.3693
104	G	A	-0.5159
105	G	A	-0.0967
106	G	A	-0.3323
107	S	A	-0.4726
108	G	A	-0.8193
109	G	A	-0.9135
110	G	A	-0.9245
111	G	A	0.0000
112	Q	A	-1.7406
113	N	A	-2.1475
114	K	A	0.0000
115	N	A	0.0000
116	D	A	-1.3983
117	Q	A	-0.3546
118	I	A	0.0000
119	A	A	0.0000
120	A	A	0.0032
121	A	A	0.0000
122	I	A	0.0000
123	V	A	0.0000
124	L	A	-0.2488
125	R	A	-0.7083
126	G	A	-0.2440
127	L	A	0.9389
128	A	A	-0.3186
129	K	A	-1.7674
130	G	A	-1.9373
131	G	A	-2.1717
132	K	A	-2.0637
133	F	A	0.0000
134	A	A	-0.6977
135	N	A	-0.6808
136	A	A	-0.5266
137	G	A	-0.9889
138	G	A	0.0000
139	G	A	-1.2587
140	G	A	-1.0949
141	S	A	-1.0149
142	G	A	-1.3352
143	G	A	-1.6548
144	G	A	-1.7821
145	G	A	-2.0604
146	K	A	-3.0207
147	K	A	-2.8923
148	K	A	-3.3286
149	N	A	-2.7935
150	D	A	-1.9280
151	Q	A	-1.7882
152	I	A	0.0000
153	A	A	0.0000
154	A	A	0.0000
155	A	A	0.0000
156	L	A	0.0000
157	V	A	0.0000
158	L	A	-0.3430
159	R	A	0.0000
160	G	A	0.0000
161	V	A	0.1276
162	A	A	-0.4752
163	K	A	-1.0901
164	S	A	0.0000
165	G	A	-1.1640
166	K	A	-2.1533
167	F	A	-1.0882
168	A	A	-1.0433
169	G	A	-1.0374
170	A	A	-0.8345
171	G	A	-1.0930
172	G	A	-1.2869
173	G	A	-1.4943
174	G	A	-1.3302
175	S	A	-1.3700
176	G	A	-1.2300
177	G	A	-1.1223
178	G	A	-1.1599
179	G	A	-1.3651
180	I	A	-1.1462
181	T	A	-1.5456
182	R	A	-2.2441
183	N	A	-2.1569
184	D	A	0.0000
185	E	A	-0.6141
186	I	A	-0.3177
187	A	A	-0.3247
188	A	A	0.0000
189	A	A	0.0000
190	I	A	1.5285
191	V	A	1.1671
192	L	A	0.0000
193	R	A	0.1555
194	G	A	0.0353
195	M	A	0.2835
196	A	A	0.0000
197	K	A	-0.4416
198	G	A	0.0000
199	G	A	0.0000
200	R	A	0.0334
201	F	A	0.8448
202	F	A	0.2438
203	A	A	0.0427
204	S	A	-0.5583
205	G	A	-0.9599
206	G	A	-1.3611
207	G	A	-0.9100