Project name: 4383546663eadd9

Chain sequence(s)	A: AQSVPWGISRVQAPAAHNRGLTGSGVKVAVLDTGISTHPDLNIRGGASFVPGEPSTQDGNGHGTHVAGTIAALNNSIGVLGVAPSAELYAVKVLGASGSGSVSSIAQGLEWAGNNGMHVANLSLGSPSPSATLEQAVNSATSRGVLVVAASGNSGAGSISYPARYANAMAVGATDQNNNRASFSQYGAGLDIVAPGVNVQSTYPGSTYASLNGTSMATPHVAGAAALVKQKNPSWSNVQIRNHLKNTATSLGSTNLYGSGLVNAEAATR
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                                          (00:01:16)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:17)

• Minimal score value: -2.3365
• Maximal score value: 0.8029
• Average score: -0.482
• Total score value: -129.666

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	A	A	0.0274
2	Q	A	-0.1474
3	S	A	0.1019
4	V	A	0.6341
5	P	A	0.0000
6	W	A	-0.1670
7	G	A	0.0000
8	I	A	0.0000
9	S	A	-0.3801
10	R	A	-0.9519
11	V	A	0.0000
12	Q	A	-0.9906
13	A	A	0.0000
14	P	A	-0.8785
15	A	A	-1.3537
16	A	A	0.0000
17	H	A	-1.5558
18	N	A	-2.0667
19	R	A	-2.2995
20	G	A	-1.6263
21	L	A	0.0000
22	T	A	-0.9128
23	G	A	0.0000
24	S	A	-0.6991
25	G	A	-0.7990
26	V	A	0.0000
27	K	A	-1.0865
28	V	A	0.0000
29	A	A	0.0000
30	V	A	0.0000
31	L	A	0.0000
32	D	A	0.0000
33	T	A	0.0000
34	G	A	0.0000
35	I	A	0.0000
37	S	A	-0.8022
38	T	A	-0.5405
39	H	A	0.0000
40	P	A	-0.4352
41	D	A	0.0000
42	L	A	0.0000
43	N	A	-1.4544
44	I	A	-0.9389
45	R	A	-1.9810
46	G	A	-1.0754
47	G	A	-0.7078
48	A	A	-0.1719
49	S	A	-0.4068
50	F	A	-0.1700
51	V	A	-0.3593
52	P	A	-0.5210
53	G	A	-0.7657
54	E	A	-0.9458
55	P	A	-0.7351
56	S	A	-0.8014
57	T	A	-0.8304
59	Q	A	-1.5554
60	D	A	0.0000
61	G	A	-1.1834
62	N	A	-1.0195
63	G	A	0.0000
64	H	A	-0.3428
65	G	A	0.0000
66	T	A	0.0000
67	H	A	0.0000
68	V	A	0.0000
69	A	A	0.0000
70	G	A	0.0000
71	T	A	0.0000
72	I	A	0.0000
73	A	A	0.0000
74	A	A	0.0000
75	L	A	-0.8084
76	N	A	-1.3390
77	N	A	-1.0637
78	S	A	-0.4284
79	I	A	0.2351
80	G	A	0.0418
81	V	A	0.0000
82	L	A	0.0000
83	G	A	0.0000
84	V	A	0.0000
85	A	A	0.0000
86	P	A	0.0000
87	S	A	-0.6559
88	A	A	0.0000
89	E	A	0.0000
90	L	A	0.0000
91	Y	A	-0.6234
92	A	A	0.0000
93	V	A	0.0000
94	K	A	0.0000
95	V	A	0.0000
96	L	A	0.0000
97	G	A	-0.6214
98	A	A	-0.8314
99	S	A	-0.6538
100	G	A	-0.7004
101	S	A	-0.5344
102	G	A	-0.4454
103	S	A	-0.1576
104	V	A	0.1085
105	S	A	-0.2447
106	S	A	0.0000
107	I	A	0.0000
108	A	A	0.0000
109	Q	A	-1.3949
110	G	A	0.0000
111	L	A	0.0000
112	E	A	-2.3000
113	W	A	-1.5041
114	A	A	0.0000
115	G	A	-1.9919
116	N	A	-2.3365
117	N	A	-2.0872
118	G	A	-1.5928
119	M	A	0.0000
120	H	A	-0.9139
121	V	A	0.0000
122	A	A	0.0000
123	N	A	0.0000
124	L	A	0.0000
125	S	A	0.0000
126	L	A	-0.3397
127	G	A	-0.8855
128	S	A	-0.7382
129	P	A	-0.7151
130	S	A	-0.5614
131	P	A	-0.7378
132	S	A	-0.4839
133	A	A	-0.6200
134	T	A	-0.7289
135	L	A	0.0000
136	E	A	-1.7104
137	Q	A	-1.8949
138	A	A	0.0000
139	V	A	0.0000
140	N	A	-1.4381
141	S	A	-1.4284
142	A	A	0.0000
143	T	A	-0.8049
144	S	A	-0.8557
145	R	A	-1.6761
146	G	A	-0.7961
147	V	A	0.0000
148	L	A	0.0000
149	V	A	0.0000
150	V	A	0.0000
151	A	A	0.0000
152	A	A	0.0000
153	S	A	0.0000
154	G	A	-0.9072
155	N	A	-1.4793
156	S	A	-0.8858
157	G	A	-0.5910
160	A	A	-0.4522
161	G	A	-0.5092
162	S	A	-0.6361
165	I	A	0.0000
166	S	A	0.0000
167	Y	A	0.0000
168	P	A	0.0000
169	A	A	0.0000
170	R	A	-1.2804
171	Y	A	-0.9255
172	A	A	-0.6146
173	N	A	-0.6640
174	A	A	0.0000
175	M	A	0.0000
176	A	A	0.0000
177	V	A	0.0000
178	G	A	0.0000
179	A	A	0.0000
180	T	A	0.0000
181	D	A	-1.8223
182	Q	A	-1.8847
183	N	A	-2.2607
184	N	A	-1.9533
185	N	A	-2.0885
186	R	A	-1.0964
187	A	A	0.0000
188	S	A	-0.5741
189	F	A	-0.4881
190	S	A	0.0000
191	Q	A	0.0000
192	Y	A	-0.3065
193	G	A	-0.6424
194	A	A	-0.6432
195	G	A	-0.9005
196	L	A	0.0000
197	D	A	0.0000
198	I	A	0.0000
199	V	A	0.0000
200	A	A	0.0000
201	P	A	0.0000
202	G	A	0.0000
203	V	A	-1.0859
204	N	A	-1.6903
205	V	A	0.0000
206	Q	A	-0.6612
207	S	A	0.0000
208	T	A	0.0000
209	Y	A	0.1745
210	P	A	-0.4300
211	G	A	-0.4878
212	S	A	-0.3816
213	T	A	-0.0205
214	Y	A	0.2647
215	A	A	-0.0028
216	S	A	-0.6958
217	L	A	-0.7398
218	N	A	-1.5891
219	G	A	0.0000
220	T	A	0.0000
221	S	A	-0.4169
222	M	A	0.0000
223	A	A	0.0000
224	T	A	0.0000
225	P	A	0.0000
226	H	A	0.0000
227	V	A	0.0000
228	A	A	0.0000
229	G	A	0.0000
230	A	A	0.0000
231	A	A	0.0000
232	A	A	0.0000
233	L	A	0.0000
234	V	A	0.0000
235	K	A	-1.1107
236	Q	A	-1.1491
237	K	A	-1.6183
238	N	A	-1.0850
239	P	A	-0.8851
240	S	A	-0.6276
241	W	A	-0.3272
242	S	A	-0.0992
243	N	A	-0.1197
244	V	A	0.8029
245	Q	A	-0.5930
246	I	A	0.0000
247	R	A	-0.6727
248	N	A	-1.3903
249	H	A	-1.2523
250	L	A	0.0000
251	K	A	-1.5393
252	N	A	-1.8400
253	T	A	-1.2383
254	A	A	-0.7462
255	T	A	-0.3831
256	S	A	-0.4401
257	L	A	-0.2523
258	G	A	-0.5059
259	S	A	-0.5755
260	T	A	-0.6508
261	N	A	-1.1978
262	L	A	-0.3412
263	Y	A	-0.3240
264	G	A	0.0000
265	S	A	-0.6876
266	G	A	0.0000
267	L	A	0.0000
268	V	A	0.0000
269	N	A	-0.7662
270	A	A	0.0000
271	E	A	-1.2989
272	A	A	-1.0433
273	A	A	0.0000
274	T	A	0.0000
275	R	A	-2.1854