Project name: 1f0n_solub

Chain sequence(s)	A: SRPGLPVEYLQVPSPSMGRDIKVQFQSGGNNSPAVYLLDGLRAQDDYNGWDINTPAFEWYYQSGLSIVMPVGGQSSFYSDWYSPACGKAGCQTYKWETFLTSELPQWLSANRAVKPTGSAAIGLSMAGSSAMILAAYHPQQFIYAGSLSALLDPSQGDGPAFVDKAMGDAGGYKAADMWGPSSDPAWERNDPTQQIPKLVANNTRLWVYCGNGTPNAAGGDTAGNSALENFVRSSNLKFQDAYNAAGGHNAVFNFPPNGTHSWEYWGAQLNAMKGDLQSSLGAG
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                                          (00:03:11)
[INFO]       Main:     Simulation completed successfully.                                          (00:03:12)

• Minimal score value: -3.2031
• Maximal score value: 1.5191
• Average score: -0.5898
• Total score value: -167.5096

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	S	A	-1.1793
3	R	A	-1.9228
4	P	A	-1.2558
5	G	A	-0.9413
6	L	A	-0.4636
7	P	A	-0.0598
8	V	A	0.2451
9	E	A	-0.2611
10	Y	A	0.0361
11	L	A	0.0000
12	Q	A	-1.4250
13	V	A	0.0000
14	P	A	-1.3081
15	S	A	0.0000
16	P	A	-0.9476
17	S	A	-0.7104
18	M	A	0.0000
19	G	A	-1.3473
20	R	A	-1.8792
21	D	A	-2.1846
22	I	A	0.0000
23	K	A	-1.4105
24	V	A	0.0000
25	Q	A	0.0000
26	F	A	0.0000
27	Q	A	0.0000
28	S	A	-0.7893
29	G	A	-1.0968
30	G	A	-1.5526
31	N	A	-2.2971
32	N	A	-2.3737
33	S	A	0.0000
34	P	A	0.0000
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	-1.1974
43	R	A	-2.6653
44	A	A	0.0000
45	Q	A	-2.8573
46	D	A	-3.2031
47	D	A	-2.2784
48	Y	A	-0.2459
49	N	A	0.0000
50	G	A	0.0000
51	W	A	0.0000
52	D	A	0.5260
53	I	A	1.5191
54	N	A	-0.4219
55	T	A	0.0000
56	P	A	-0.5188
57	A	A	0.0000
58	F	A	0.0000
59	E	A	-0.6778
60	W	A	-0.2654
61	Y	A	0.0000
62	Y	A	-0.0469
63	Q	A	-1.0847
64	S	A	0.0000
65	G	A	-1.0220
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	-1.8153
74	G	A	-1.2306
75	Q	A	-1.6701
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	-0.4314
82	W	A	0.0000
83	Y	A	0.9321
84	S	A	0.0457
85	P	A	-0.2262
86	A	A	0.0000
87	C	A	-0.1656
88	G	A	-1.0277
89	K	A	-1.8489
90	A	A	-0.7900
91	G	A	-0.4375
92	C	A	0.2050
93	Q	A	-0.4956
94	T	A	-0.4402
95	Y	A	0.0000
96	K	A	-0.6705
97	W	A	0.0000
98	E	A	0.0000
99	T	A	-0.4376
100	F	A	0.0000
101	L	A	0.0000
102	T	A	-0.4089
103	S	A	-0.6512
104	E	A	-0.8105
105	L	A	0.0000
106	P	A	0.0000
107	Q	A	-1.4447
108	W	A	-0.6075
109	L	A	0.0000
110	S	A	-1.2983
111	A	A	-0.7504
112	N	A	-1.0536
113	R	A	-1.5323
114	A	A	-1.6645
115	V	A	0.0000
116	K	A	-1.8538
117	P	A	-1.1861
118	T	A	-0.9121
119	G	A	-0.5840
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	-0.1179
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	-0.2010
139	H	A	-0.5710
140	P	A	-0.9820
141	Q	A	-1.4163
142	Q	A	-0.9699
143	F	A	0.0000
144	I	A	-0.3557
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	0.3704
153	L	A	0.0000
154	D	A	-1.3668
155	P	A	0.0000
156	S	A	-1.7211
157	Q	A	-2.2407
158	G	A	-1.9365
159	D	A	-2.2637
160	G	A	-1.5163
161	P	A	0.0000
162	A	A	-1.1560
163	F	A	-0.6982
164	V	A	0.0000
165	D	A	-1.9513
166	K	A	-2.4697
167	A	A	-1.8807
168	M	A	0.0000
169	G	A	-2.4361
170	D	A	-3.0018
171	A	A	0.0000
172	G	A	-1.7556
173	G	A	-1.9837
174	Y	A	0.0000
175	K	A	-1.9916
176	A	A	0.0000
177	A	A	-0.6881
178	D	A	-0.4571
179	M	A	0.0000
180	W	A	0.0000
181	G	A	-0.4667
182	P	A	-0.8044
183	S	A	-1.2038
184	S	A	-0.8359
185	D	A	-1.1180
186	P	A	-1.0782
187	A	A	0.0000
188	W	A	0.0000
189	E	A	-1.8717
190	R	A	-1.3295
191	N	A	0.0000
192	D	A	0.0000
193	P	A	0.0000
194	T	A	-1.1634
195	Q	A	-1.5234
196	Q	A	0.0000
197	I	A	0.0000
198	P	A	-0.9440
199	K	A	-1.2301
200	L	A	0.0000
201	V	A	-1.1485
202	A	A	-0.8172
203	N	A	-1.3552
204	N	A	-1.4315
205	T	A	0.0000
206	R	A	-0.8834
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	-0.6594
214	G	A	0.0000
215	T	A	-1.2682
216	P	A	-1.7254
217	N	A	-1.7239
218	A	A	-0.8421
219	A	A	-1.0912
220	G	A	-1.4254
221	G	A	-1.6965
222	D	A	-2.2727
223	T	A	-1.2067
224	A	A	-0.6461
225	G	A	-0.8578
226	N	A	-0.8665
227	S	A	-0.8966
228	A	A	-0.1953
229	L	A	0.1549
230	E	A	0.0000
231	N	A	-0.9411
232	F	A	0.4556
233	V	A	0.0000
234	R	A	0.0000
235	S	A	-0.3409
236	S	A	-0.5340
237	N	A	0.0000
238	L	A	-0.0213
239	K	A	-2.0204
240	F	A	0.0000
241	Q	A	0.0000
242	D	A	-2.5217
243	A	A	-1.7293
244	Y	A	0.0000
245	N	A	-2.3583
246	A	A	-1.2598
247	A	A	-0.9158
248	G	A	-1.1221
249	G	A	-1.6921
250	H	A	-1.6517
251	N	A	-1.2440
252	A	A	-0.4198
253	V	A	0.6884
254	F	A	1.0323
255	N	A	0.6246
256	F	A	1.2739
257	P	A	0.2003
258	P	A	-0.4466
259	N	A	-0.8227
260	G	A	0.0000
261	T	A	0.0000
262	H	A	-0.8357
263	S	A	-0.9445
264	W	A	-0.6684
265	E	A	-1.6677
266	Y	A	0.0000
267	W	A	0.0000
268	G	A	0.0000
269	A	A	-0.4897
270	Q	A	0.0000
271	L	A	0.0000
272	N	A	-0.6626
273	A	A	-0.4692
274	M	A	-0.5202
275	K	A	-0.9743
276	G	A	-1.0849
277	D	A	-0.9536
278	L	A	0.0000
279	Q	A	-1.0356
280	S	A	-0.8926
281	S	A	-0.5886
282	L	A	-0.4090
283	G	A	-0.7423
284	A	A	-0.8951
285	G	A	-0.9001