Project name: 146d57eda868a33

Chain sequence(s)	A: DSNTVSSFQVDCFLWHVRKRFADQELGDAPFLDRLRADQASLRGRGSTLGLDIETATRAGKQIVERILEEESDEALKMTIASVPASRYLTDMTLEEMSRDWFMLMPKQKVAGSLCIRMDQAIMDKNIILKANFSVIFDRLETLILLRAFTEEGAIVGEISPLPSLPGHTDEDVKNAIGVLIGGLEWNDNTVRVSETLQRFAW
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]                                                (00:00:01)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:01)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with A chain(s) selected             (00:00:01)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:01)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:01)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:04:22)
[INFO]       Main:     Simulation completed successfully.                                          (00:04:23)

• Minimal score value: -3.4289
• Maximal score value: 2.311
• Average score: -0.9583
• Total score value: -193.5864

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
2	D	A	-2.2142
3	S	A	-1.5479
4	N	A	-1.8714
5	T	A	-1.0746
6	V	A	-0.2278
7	S	A	-0.6780
8	S	A	-0.9792
9	F	A	0.0000
10	Q	A	0.0000
11	V	A	-0.6717
12	D	A	-1.6385
13	C	A	0.0000
14	F	A	-0.7966
15	L	A	-0.5287
16	W	A	-1.2739
17	H	A	-1.2377
18	V	A	-0.8999
19	R	A	-1.5816
20	K	A	-2.9204
21	R	A	-2.9446
22	F	A	-1.3570
23	A	A	-2.2550
24	D	A	-3.4040
25	Q	A	-2.7520
26	E	A	-2.6883
27	L	A	-0.4725
28	G	A	-1.4617
29	D	A	-1.8193
30	A	A	-1.4237
31	P	A	-1.7231
32	F	A	-1.5597
33	L	A	-2.1574
34	D	A	-3.4289
35	R	A	-3.3256
36	L	A	0.0000
37	R	A	-3.2583
38	A	A	-2.2558
39	D	A	-2.7376
40	Q	A	-2.7682
41	A	A	-1.9821
42	S	A	-1.8705
43	L	A	0.0000
44	R	A	-2.9770
45	G	A	-2.2921
46	R	A	-2.7926
47	G	A	0.0000
48	S	A	-1.7356
49	T	A	-1.1469
50	L	A	-0.3368
51	G	A	-0.8609
52	L	A	-1.1612
53	D	A	-2.5268
54	I	A	-2.0347
55	E	A	-2.1969
56	T	A	-1.3585
57	A	A	0.0000
58	T	A	-1.3724
59	R	A	-1.0396
60	A	A	0.0000
61	G	A	0.0000
62	K	A	-1.7285
63	Q	A	-1.4664
64	I	A	-1.0417
65	V	A	0.0000
66	E	A	-3.1171
67	R	A	-3.1469
68	I	A	-1.2207
69	L	A	-1.5350
70	E	A	-3.4109
71	E	A	-3.3990
72	E	A	-2.9547
73	S	A	-2.8674
74	D	A	-3.0693
75	E	A	-2.7076
76	A	A	-1.0335
77	L	A	-0.0842
78	K	A	-1.0912
79	M	A	0.6280
80	T	A	1.0455
81	I	A	2.3110
82	A	A	1.5898
83	S	A	1.1651
84	V	A	1.9270
85	P	A	0.7416
86	A	A	0.1957
87	S	A	-0.2646
88	R	A	-0.8802
89	Y	A	0.6569
90	L	A	0.5209
91	T	A	0.5420
92	D	A	-0.3543
93	M	A	0.0000
94	T	A	-0.0904
95	L	A	0.2561
96	E	A	-1.6487
97	E	A	-1.5224
98	M	A	-0.6959
99	S	A	-1.6026
100	R	A	-2.9804
101	D	A	-2.2287
102	W	A	0.0531
103	F	A	2.1287
104	M	A	1.6839
105	L	A	2.0879
106	M	A	1.0335
107	P	A	-0.2476
108	K	A	-2.1857
109	Q	A	-2.2408
110	K	A	-1.2154
111	V	A	0.8903
112	A	A	0.3270
113	G	A	-0.3697
114	S	A	0.3330
115	L	A	0.0000
116	C	A	0.1266
117	I	A	0.0000
118	R	A	-1.3304
119	M	A	-0.6910
120	D	A	0.0000
121	Q	A	-0.1740
122	A	A	0.0755
123	I	A	-0.2602
124	M	A	-0.9342
125	D	A	-2.7722
126	K	A	-3.0117
127	N	A	-3.1445
128	I	A	0.0000
129	I	A	-0.8381
130	L	A	0.0000
131	K	A	-0.6892
132	A	A	0.0000
133	N	A	0.0000
134	F	A	0.0000
135	S	A	0.0000
136	V	A	0.0000
137	I	A	-0.2995
138	F	A	0.1305
139	D	A	-2.0974
140	R	A	-2.6878
141	L	A	0.0000
142	E	A	-2.4821
143	T	A	-1.0852
144	L	A	0.0000
145	I	A	1.3215
146	L	A	0.6133
147	L	A	0.0000
148	R	A	0.0000
149	A	A	0.0000
150	F	A	0.0000
151	T	A	0.0000
152	E	A	-3.2933
153	E	A	-3.1489
154	G	A	-1.8205
155	A	A	-1.3960
156	I	A	-0.2367
157	V	A	0.0000
158	G	A	0.0000
159	E	A	0.0000
160	I	A	0.0000
161	S	A	0.4589
162	P	A	0.4498
163	L	A	0.5081
164	P	A	-0.0203
165	S	A	0.1001
166	L	A	0.3328
167	P	A	-0.0475
168	G	A	-0.1796
169	H	A	-1.0032
170	T	A	-1.8456
171	D	A	-2.8449
172	E	A	-3.3721
173	D	A	-2.3704
174	V	A	0.0000
175	K	A	-2.4543
176	N	A	-2.3511
177	A	A	0.0000
178	I	A	0.0000
179	G	A	-0.6624
180	V	A	-0.3588
181	L	A	0.0000
182	I	A	-0.1671
183	G	A	-0.0086
184	G	A	-0.3464
185	L	A	0.0000
186	E	A	-1.3270
187	W	A	0.0201
188	N	A	-1.2621
189	D	A	-2.5399
190	N	A	0.0000
191	T	A	-1.8044
192	V	A	0.0000
193	R	A	-2.2131
194	V	A	0.0000
195	S	A	0.0000
196	E	A	-2.9119
197	T	A	-1.8257
198	L	A	0.0000
199	Q	A	-2.5500
200	R	A	-3.0995
201	F	A	-1.8928
202	A	A	-1.5731
203	W	A	-0.3950