Project name: 9_i14e7_x11e6_i20e6_x4e7

Chain sequence(s)	A: AAYRAHYNIVTFAAYTLQDIVLHLAAYLLMGTLGIVAAYLPARRAEPQAAYAEKLRHLNEKRRFHNGPGPGLDKKQRFHNIRGRWTGPGPGNPAEKLRHLNEKRRFGPGPGSKISEYRHYCYSLYGGPGPGVYDFAFRDLAAYRFHNIAGHYAAYCYSLYGTTLAAYKTVLELTEVAAYLLCHEQLSDSEEENDGPGPGQSTHVDIRTLEDLLMGPGPGTPTLHEYMLDLQPETGPGPGLQDIVLHLEPQNEIPGPGPG
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                                          (00:03:47)
[INFO]       Main:     Simulation completed successfully.                                          (00:03:48)

• Minimal score value: -4.8061
• Maximal score value: 3.6948
• Average score: -0.4436
• Total score value: -114.8818

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	-0.2086
2	A	A	0.0812
3	Y	A	0.3931
4	R	A	-0.9150
5	A	A	0.0637
6	H	A	0.6953
7	Y	A	1.7615
8	N	A	1.4461
9	I	A	3.1991
10	V	A	3.5393
11	T	A	2.9235
12	F	A	3.6948
13	A	A	2.7218
14	A	A	2.1873
15	Y	A	2.5225
16	T	A	1.9450
17	L	A	2.3496
18	Q	A	1.1479
19	D	A	0.5238
20	I	A	2.4616
21	V	A	3.1982
22	L	A	2.6002
23	H	A	1.9150
24	L	A	3.2200
25	A	A	2.8075
26	A	A	2.6506
27	Y	A	3.3769
28	L	A	3.3911
29	L	A	3.1614
30	M	A	2.9538
31	G	A	2.3061
32	T	A	2.6628
33	L	A	3.3668
34	G	A	2.4518
35	I	A	3.5992
36	V	A	3.6703
37	A	A	2.3367
38	A	A	1.9929
39	Y	A	2.1400
40	L	A	0.9875
41	P	A	-0.5975
42	A	A	-1.1876
43	R	A	-2.8409
44	R	A	-3.2562
45	A	A	-2.6307
46	E	A	-3.1851
47	P	A	-2.3679
48	Q	A	-2.4747
49	A	A	-1.6267
50	A	A	-1.3768
51	Y	A	-0.8703
52	A	A	-1.4832
53	E	A	-3.0502
54	K	A	-2.8167
55	L	A	-2.0114
56	R	A	-3.9234
57	H	A	-3.9478
58	L	A	-3.0780
59	N	A	-3.8425
60	E	A	-4.3861
61	K	A	-4.1382
62	R	A	-4.5759
63	R	A	-3.9396
64	F	A	-1.6004
65	H	A	-2.6822
66	N	A	-2.7871
67	G	A	-1.7236
68	P	A	-1.0815
69	G	A	-1.0268
70	P	A	-0.5756
71	G	A	-0.4465
72	L	A	-0.3595
73	D	A	-2.3953
74	K	A	-3.4105
75	K	A	-3.8335
76	Q	A	-3.6428
77	R	A	-3.7065
78	F	A	-2.2722
79	H	A	-3.1232
80	N	A	-3.0930
81	I	A	-1.8140
82	R	A	-2.6482
83	G	A	-2.1781
84	R	A	-2.3135
85	W	A	-0.5131
86	T	A	-0.7803
87	G	A	-0.8475
88	P	A	-0.6943
89	G	A	-1.0905
90	P	A	-1.1086
91	G	A	-1.6560
92	N	A	-2.3357
93	P	A	-2.0128
94	A	A	-2.1967
95	E	A	-3.4874
96	K	A	-3.1535
97	L	A	-1.9225
98	R	A	-3.7198
99	H	A	-3.5640
100	L	A	-2.6154
101	N	A	-3.8528
102	E	A	-4.3549
103	K	A	-4.1494
104	R	A	-3.9094
105	R	A	-3.0616
106	F	A	-0.3554
107	G	A	-0.5722
108	P	A	-0.8645
109	G	A	-0.8866
110	P	A	-1.0926
111	G	A	-1.3473
112	S	A	-1.7042
113	K	A	-2.5730
114	I	A	-1.2510
115	S	A	-1.9141
116	E	A	-2.5626
117	Y	A	-1.2634
118	R	A	-1.8403
119	H	A	-1.1646
120	Y	A	0.8966
121	C	A	0.9854
122	Y	A	1.3185
123	S	A	1.2414
124	L	A	2.3151
125	Y	A	2.1506
126	G	A	0.5805
127	G	A	-0.0664
128	P	A	-0.1845
129	G	A	-0.3489
130	P	A	-0.3963
131	G	A	-0.2823
132	V	A	1.0691
133	Y	A	1.0432
134	D	A	-0.1208
135	F	A	1.4747
136	A	A	1.0681
137	F	A	1.7622
138	R	A	-0.0869
139	D	A	0.0599
140	L	A	0.4344
141	A	A	0.0780
142	A	A	0.0471
143	Y	A	0.3662
144	R	A	-1.1238
145	F	A	-0.1510
146	H	A	-0.6381
147	N	A	-0.8256
148	I	A	1.0773
149	A	A	0.0000
150	G	A	0.0523
151	H	A	0.3307
152	Y	A	1.7372
153	A	A	0.0000
154	A	A	1.2410
155	Y	A	2.0979
156	C	A	1.9109
157	Y	A	1.8650
158	S	A	1.5444
159	L	A	2.1518
160	Y	A	1.9774
161	G	A	0.9771
162	T	A	0.9740
163	T	A	0.7528
164	L	A	1.3437
165	A	A	0.5213
166	A	A	0.2286
167	Y	A	0.5951
168	K	A	-0.7581
169	T	A	-0.4122
170	V	A	0.3465
171	L	A	-0.3248
172	E	A	-1.1745
173	L	A	0.9998
174	T	A	0.6990
175	E	A	-0.0521
176	V	A	2.0383
177	A	A	1.7066
178	A	A	1.4879
179	Y	A	2.1880
180	L	A	1.7134
181	L	A	1.4915
182	C	A	0.4427
183	H	A	-1.0263
184	E	A	-2.1993
185	Q	A	-2.4494
186	L	A	-2.0044
187	S	A	-3.2562
188	D	A	-4.1687
189	S	A	-3.5766
190	E	A	-4.4675
191	E	A	-4.7949
192	E	A	-4.8061
193	N	A	-4.1390
194	D	A	-3.7223
195	G	A	-2.2058
196	P	A	-1.3473
197	G	A	-1.1129
198	P	A	-1.0582
199	G	A	-1.3818
200	Q	A	-1.8112
201	S	A	-1.0167
202	T	A	-0.7880
203	H	A	-0.6294
204	V	A	0.6840
205	D	A	-0.7992
206	I	A	0.6093
207	R	A	-1.3164
208	T	A	-0.5942
209	L	A	0.9216
210	E	A	-1.0546
211	D	A	-1.1151
212	L	A	1.0628
213	L	A	1.8758
214	M	A	1.1279
215	G	A	0.0318
216	P	A	-0.4701
217	G	A	-0.8519
218	P	A	-0.8794
219	G	A	-0.9038
220	T	A	-0.5861
221	P	A	-0.4814
222	T	A	0.5371
223	L	A	1.6838
224	H	A	-0.0251
225	E	A	-0.3711
226	Y	A	1.2125
227	M	A	1.3404
228	L	A	0.6603
229	D	A	-0.8819
230	L	A	0.4513
231	Q	A	-0.8874
232	P	A	-1.5265
233	E	A	-2.3627
234	T	A	-1.6118
235	G	A	-1.3624
236	P	A	-1.0845
237	G	A	-0.7653
238	P	A	-0.7767
239	G	A	-0.5619
240	L	A	0.9954
241	Q	A	-0.1157
242	D	A	-0.2823
243	I	A	2.4279
244	V	A	2.7514
245	L	A	1.8875
246	H	A	0.6394
247	L	A	1.0624
248	E	A	-1.4762
249	P	A	-2.0679
250	Q	A	-2.4503
251	N	A	-2.5273
252	E	A	-1.9672
253	I	A	0.3216
254	P	A	-0.3028
255	G	A	-0.5731
256	P	A	-0.6522
257	G	A	-0.9806
258	P	A	-0.8211
259	G	A	-0.7376