Project name: 35r3

Chain sequence(s)	A: FSRPGLPVEYLQVPSPSMGRDIKVQFQSGGNNSPAVYLLDGLRAQDDYNGWDINTPAFEWYYQSGLSIVMPVGGQSSFYSDWYSPACGKAGCQTYKWETFLTSELPQWLSANRAVKPTGSAAIGLSMAGSSAMILAAYHPQQFIYAGSLSALLDPSQGMGPSLIGLAMGDAGGYKAADMWGPSSDPAWERNDPTQQIPKLVANNTRLWVYCGNGTPNELGGANIPAEFLENFVRSSNLKFQDAYNAAGGHNAVFNFPPNGTHSWEYWGAQLNAMKGDLQSSLGAGFAVTNDGVI
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                                          (00:02:00)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:01)

• Minimal score value: -3.1308
• Maximal score value: 2.4721
• Average score: -0.486
• Total score value: -142.8978

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	F	A	1.4531
2	S	A	-0.1206
3	R	A	-1.6841
4	P	A	-1.0743
5	G	A	-0.9671
6	L	A	-0.5618
7	P	A	-0.1581
8	V	A	0.0989
9	E	A	-0.2591
10	Y	A	0.4426
11	L	A	0.0000
12	Q	A	-2.0005
13	V	A	0.0000
14	P	A	-1.5216
15	S	A	0.0000
16	P	A	-0.9473
17	S	A	-0.6761
18	M	A	0.0000
19	G	A	-1.2725
20	R	A	-1.8922
21	D	A	-2.5193
22	I	A	0.0000
23	K	A	-2.1646
24	V	A	0.0000
25	Q	A	0.0000
26	F	A	0.0000
27	Q	A	0.0000
28	S	A	-0.9248
29	G	A	-1.1095
30	G	A	-1.6145
31	N	A	-2.3438
32	N	A	-2.4712
33	S	A	0.0000
34	P	A	-1.0249
35	A	A	0.0000
36	V	A	0.0000
37	Y	A	0.0000
38	L	A	0.0000
39	L	A	0.0000
40	D	A	0.0000
41	G	A	0.0000
42	L	A	-0.9752
43	R	A	-2.3934
44	A	A	0.0000
45	Q	A	-2.3970
46	D	A	-3.1308
47	D	A	-2.3671
48	Y	A	-0.5501
49	N	A	0.0000
50	G	A	0.0000
51	W	A	0.0000
52	D	A	0.0000
53	I	A	0.8921
54	N	A	-0.0800
55	T	A	0.0000
56	P	A	-0.0283
57	A	A	0.0000
58	F	A	0.0000
59	E	A	-0.3915
60	W	A	-0.1239
61	Y	A	0.0000
62	Y	A	0.0668
63	Q	A	-1.0542
64	S	A	0.0000
65	G	A	-0.7971
66	L	A	0.0000
67	S	A	0.0000
68	I	A	0.0000
69	V	A	0.0000
70	M	A	0.0000
71	P	A	0.0000
72	V	A	0.0000
73	G	A	0.0000
74	G	A	0.0000
75	Q	A	-1.2723
76	S	A	0.0000
77	S	A	0.0000
78	F	A	0.0000
79	Y	A	0.0000
80	S	A	0.0000
81	D	A	-0.5701
82	W	A	0.0000
83	Y	A	0.9599
84	S	A	0.1181
85	P	A	-0.0818
86	A	A	0.0000
87	C	A	-0.3946
88	G	A	-1.3745
89	K	A	-1.8953
90	A	A	-0.8112
91	G	A	-0.4693
92	C	A	0.1783
93	Q	A	-0.3546
94	T	A	-0.3607
95	Y	A	0.0000
96	K	A	-0.8078
97	W	A	0.0000
98	E	A	-0.5589
99	T	A	-0.5048
100	F	A	0.0000
101	L	A	0.0000
102	T	A	-0.3631
103	S	A	-0.5238
104	E	A	-0.6779
105	L	A	0.0000
106	P	A	0.0000
107	Q	A	-1.5465
108	W	A	-0.8515
109	L	A	0.0000
110	S	A	-1.5108
111	A	A	-0.9496
112	N	A	-1.2796
113	R	A	-1.7189
114	A	A	-1.8254
115	V	A	0.0000
116	K	A	-1.9562
117	P	A	-1.2727
118	T	A	-0.8703
119	G	A	-0.5186
120	S	A	0.0000
121	A	A	0.0000
122	A	A	0.0000
123	I	A	0.0000
124	G	A	0.0000
125	L	A	0.0000
126	S	A	0.0262
127	M	A	0.0000
128	A	A	0.0000
129	G	A	0.0000
130	S	A	0.0000
131	S	A	0.0000
132	A	A	0.0000
133	M	A	0.0000
134	I	A	0.0000
135	L	A	0.0000
136	A	A	0.0000
137	A	A	0.0000
138	Y	A	-0.2296
139	H	A	-0.4040
140	P	A	-0.9293
141	Q	A	-1.2090
142	Q	A	0.0000
143	F	A	0.0000
144	I	A	-0.1103
145	Y	A	0.0000
146	A	A	0.0000
147	G	A	0.0000
148	S	A	0.0000
149	L	A	0.0000
150	S	A	0.0000
151	A	A	0.0000
152	L	A	0.0379
153	L	A	0.0000
154	D	A	-1.2987
155	P	A	0.0000
156	S	A	-1.6079
157	Q	A	-1.7110
158	G	A	-0.6566
159	M	A	0.3749
160	G	A	0.0000
161	P	A	-0.0913
162	S	A	0.3201
163	L	A	0.8775
164	I	A	0.0000
165	G	A	-0.0588
166	L	A	0.7106
167	A	A	-0.2979
168	M	A	0.0000
169	G	A	-1.2465
170	D	A	-2.0464
171	A	A	0.0000
172	G	A	0.0000
173	G	A	-1.5548
174	Y	A	0.0000
175	K	A	-1.8122
176	A	A	-0.7256
177	A	A	-0.6660
178	D	A	-0.4785
179	M	A	0.0000
180	W	A	0.0000
181	G	A	0.0000
182	P	A	-0.6271
183	S	A	-1.0332
184	S	A	-0.9036
185	D	A	-1.1462
186	P	A	-1.2880
187	A	A	0.0000
188	W	A	0.0000
189	E	A	-2.7701
190	R	A	-1.6775
191	N	A	0.0000
192	D	A	0.0000
193	P	A	0.0000
194	T	A	-1.6025
195	Q	A	-2.1026
196	Q	A	0.0000
197	I	A	0.0000
198	P	A	-1.1020
199	K	A	-1.4172
200	L	A	0.0000
201	V	A	-1.2639
202	A	A	-0.9629
203	N	A	-1.4363
204	N	A	-1.7873
205	T	A	0.0000
206	R	A	-0.6858
207	L	A	0.0000
208	W	A	0.0000
209	V	A	0.0000
210	Y	A	0.0000
211	C	A	0.0000
212	G	A	0.0000
213	N	A	-1.0852
214	G	A	0.0000
215	T	A	-1.4697
216	P	A	-1.7002
217	N	A	-2.2667
218	E	A	-2.1765
219	L	A	-1.2329
220	G	A	-1.2980
221	G	A	-0.9861
222	A	A	-0.7726
223	N	A	-0.9751
224	I	A	0.4673
225	P	A	-0.2255
226	A	A	-0.5914
227	E	A	-1.0085
228	F	A	0.4390
229	L	A	0.4216
230	E	A	0.0000
231	N	A	-1.1942
232	F	A	0.0126
233	V	A	0.0000
234	R	A	-0.6203
235	S	A	-0.7724
236	S	A	0.0000
237	N	A	0.0000
238	L	A	-0.7630
239	K	A	-2.2578
240	F	A	0.0000
241	Q	A	-1.7113
242	D	A	-2.7424
243	A	A	-1.9321
244	Y	A	0.0000
245	N	A	-2.4679
246	A	A	-1.3430
247	A	A	-0.9861
248	G	A	-1.0970
249	G	A	0.0000
250	H	A	-1.6598
251	N	A	-1.2311
252	A	A	-0.5572
253	V	A	0.2507
254	F	A	0.5010
255	N	A	0.0705
256	F	A	0.0696
257	P	A	-0.3639
258	P	A	-0.8028
259	N	A	-1.1958
260	G	A	0.0000
261	T	A	0.0000
262	H	A	-0.7708
263	S	A	-0.6671
264	W	A	-0.7553
265	E	A	-1.6589
266	Y	A	-0.7552
267	W	A	0.0000
268	G	A	0.0000
269	A	A	-0.6418
270	Q	A	-0.6143
271	L	A	0.0000
272	N	A	-0.8816
273	A	A	-0.6152
274	M	A	0.0000
275	K	A	-1.0250
276	G	A	-1.0956
277	D	A	-0.8394
278	L	A	0.0000
279	Q	A	-0.7502
280	S	A	-0.6232
281	S	A	-0.4744
282	L	A	-0.3706
283	G	A	-0.3581
284	A	A	0.0000
285	G	A	0.3064
286	F	A	2.1773
287	A	A	1.5227
288	V	A	1.5710
289	T	A	-0.0862
290	N	A	-1.5412
291	D	A	-1.5427
292	G	A	-0.2403
293	V	A	1.9149
294	I	A	2.4721