Project name: Swave

Chain sequence(s)	A: KGDEESLAAEAAAKEAAAKEAAAKAAEAAAKEAAAKEAAAKALIVTQTMKGLDIQKVAGTWYSLAMAASDISLLDAQSAPLRVYVEELKPTPEGDLEILLQKWENDECAQKKIIAEKTKIPAVFKIDALNENKVLVLDTDYKKYLLFCMENSAEPEQSLVCQCLVRTPEVDDEALEKFDKALKALPMHIRLSFNPTQLEEQCHI
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                                          (00:06:33)
[INFO]       Main:     Simulation completed successfully.                                          (00:06:34)

• Minimal score value: -4.3302
• Maximal score value: 1.5263
• Average score: -1.3707
• Total score value: -279.6328

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	K	A	-3.1917
2	G	A	-3.0423
3	D	A	-3.5691
4	E	A	-3.5895
5	E	A	-3.4904
6	S	A	-2.2225
7	L	A	-0.8431
8	A	A	-1.1087
9	A	A	-1.2982
10	E	A	-2.1864
11	A	A	-1.4203
12	A	A	-1.3484
13	A	A	-1.8615
14	K	A	-3.3461
15	E	A	-3.4817
16	A	A	-2.5068
17	A	A	-2.1886
18	A	A	-2.5289
19	K	A	-3.4212
20	E	A	-3.4144
21	A	A	-2.2289
22	A	A	-1.8117
23	A	A	-2.2640
24	K	A	-2.9491
25	A	A	-1.8450
26	A	A	-1.8601
27	E	A	-3.0053
28	A	A	-2.2699
29	A	A	-1.8110
30	A	A	-2.2592
31	K	A	-3.2930
32	E	A	-3.3903
33	A	A	-2.3307
34	A	A	-2.1095
35	A	A	-2.2306
36	K	A	-2.9793
37	E	A	-2.5762
38	A	A	-1.4159
39	A	A	-1.0613
40	A	A	-1.0610
41	K	A	-1.3208
42	A	A	-0.4072
43	L	A	0.1321
44	I	A	0.0000
45	V	A	0.5411
46	T	A	-0.0507
47	Q	A	-0.4162
48	T	A	-0.4375
49	M	A	-1.1144
50	K	A	-2.0659
51	G	A	-1.3927
52	L	A	0.0000
53	D	A	-1.6610
54	I	A	-1.5927
55	Q	A	-2.1071
56	K	A	-2.6415
57	V	A	0.0000
58	A	A	-1.2680
59	G	A	-0.8978
60	T	A	-0.4920
61	W	A	0.0000
62	Y	A	-0.0964
63	S	A	0.0000
64	L	A	0.0000
65	A	A	0.0000
66	M	A	0.0000
67	A	A	0.0000
68	A	A	0.0000
69	S	A	-0.8215
70	D	A	-0.9192
71	I	A	0.0367
72	S	A	-0.4018
73	L	A	-0.3912
74	L	A	0.0000
75	D	A	-1.8814
76	A	A	-1.1708
77	Q	A	-1.9550
78	S	A	-1.9221
79	A	A	0.0000
80	P	A	-0.8252
81	L	A	0.0000
82	R	A	-0.7145
83	V	A	0.0000
84	Y	A	0.0000
85	V	A	0.0000
86	E	A	-1.0064
87	E	A	-0.9550
88	L	A	0.0000
89	K	A	-1.3921
90	P	A	-1.6920
91	T	A	-1.5561
92	P	A	-1.4746
93	E	A	-2.5573
94	G	A	-2.3522
95	D	A	-2.3744
96	L	A	0.0000
97	E	A	-0.8530
98	I	A	0.0000
99	L	A	-1.2264
100	L	A	0.0000
101	Q	A	0.0000
102	K	A	-1.6595
103	W	A	-2.2777
104	E	A	-3.3006
105	N	A	-3.3207
106	D	A	-3.7818
107	E	A	-3.3723
108	C	A	-1.8765
109	A	A	-1.6905
110	Q	A	-2.0417
111	K	A	-2.1355
112	K	A	-2.0805
113	I	A	0.0000
114	I	A	-0.4756
115	A	A	0.0000
116	E	A	-3.1926
117	K	A	-3.3455
118	T	A	-2.2955
119	K	A	-1.8390
120	I	A	-0.8310
121	P	A	-1.2405
122	A	A	0.0000
123	V	A	0.0000
124	F	A	0.0000
125	K	A	-2.9081
126	I	A	0.0000
127	D	A	-2.5219
128	A	A	-1.5286
129	L	A	-0.8365
130	N	A	-2.1057
131	E	A	0.0000
132	N	A	-2.1347
133	K	A	-2.0734
134	V	A	0.0000
135	L	A	0.0000
136	V	A	0.0000
137	L	A	0.0000
138	D	A	-1.4300
139	T	A	0.0000
140	D	A	-1.6586
141	Y	A	-1.9824
142	K	A	-2.6491
143	K	A	-2.4113
144	Y	A	0.0000
145	L	A	0.0000
146	L	A	0.0000
147	F	A	0.0000
148	C	A	0.0000
149	M	A	0.0000
150	E	A	-1.2293
151	N	A	-2.0577
152	S	A	-1.8567
153	A	A	-2.0285
154	E	A	-2.9020
155	P	A	-2.5308
156	E	A	-3.2590
157	Q	A	-2.9986
158	S	A	-1.7732
159	L	A	0.0000
160	V	A	0.0000
161	C	A	0.0000
162	Q	A	0.0000
163	C	A	0.0000
164	L	A	0.0000
165	V	A	0.0000
166	R	A	-1.3797
167	T	A	-0.9745
168	P	A	-0.8286
169	E	A	-1.4212
170	V	A	-0.0889
171	D	A	-1.7640
172	D	A	-3.1068
173	E	A	-3.6559
174	A	A	0.0000
175	L	A	-2.6336
176	E	A	-4.3302
177	K	A	-3.8801
178	F	A	0.0000
179	D	A	-3.8282
180	K	A	-3.8175
181	A	A	-2.5213
182	L	A	0.0000
183	K	A	-2.6054
184	A	A	-1.1570
185	L	A	0.0000
186	P	A	-0.9929
187	M	A	-0.9249
188	H	A	-1.1280
189	I	A	-1.1007
190	R	A	-1.8040
191	L	A	-0.8873
192	S	A	-0.3761
193	F	A	0.0000
194	N	A	-1.3137
195	P	A	0.0000
196	T	A	-1.1654
197	Q	A	-1.9717
198	L	A	-0.7246
199	E	A	-2.1542
200	E	A	-2.5603
201	Q	A	0.0000
202	C	A	0.0000
203	H	A	0.0767
204	I	A	1.5263