Project name: AF V1 Edited

Chain sequence(s)	A: GIINTLQKYYCRVRGGRCAVLSCLPKEEQIGKCSTRGRKCCRRKKEAAAKSSQTIEIYKQAAYSSYMGPIAVYAAYLKVDASFFFLAAYMSCVDTHAKKAAYYSNNASQFYIAAYLGSISPTYAKAAYMHASSLSSMYAAYISVPSQPSGFGPGPGESIITSDPEWDGPGPGDIASSSVSSSSKKKHNRVDGSTSASHLDMSTNKKNSGSTAKDSSETKTSGSAKSVSSISSEAAAK
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                                          (00:03:03)
[INFO]       Main:     Simulation completed successfully.                                          (00:03:04)

• Minimal score value: -4.2008
• Maximal score value: 4.1823
• Average score: -0.1465
• Total score value: -34.7244

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	G	A	0.9825
2	I	A	2.5786
3	I	A	2.3262
4	N	A	0.3092
5	T	A	1.0620
6	L	A	1.3931
7	Q	A	-0.2337
8	K	A	-1.2622
9	Y	A	0.6764
10	Y	A	0.3089
11	C	A	0.0000
12	R	A	-1.7597
13	V	A	0.1279
14	R	A	-1.6029
15	G	A	-1.9205
16	G	A	0.0000
17	R	A	-2.2655
18	C	A	-1.2023
19	A	A	0.2498
20	V	A	1.4968
21	L	A	1.9261
22	S	A	0.6664
23	C	A	-0.2507
24	L	A	-0.1510
25	P	A	-1.0003
26	K	A	-2.3717
27	E	A	0.0000
28	E	A	-2.0688
29	Q	A	-1.6172
30	I	A	-1.2217
31	G	A	-1.2573
32	K	A	-2.5839
33	C	A	0.0000
34	S	A	-1.6917
35	T	A	-1.5314
36	R	A	-2.4661
37	G	A	-1.7374
38	R	A	-1.9916
39	K	A	-1.8133
40	C	A	0.0000
41	C	A	0.0000
42	R	A	-3.1686
43	R	A	-4.0241
44	K	A	-4.2008
45	K	A	-4.0336
46	E	A	-3.4592
47	A	A	-2.0904
48	A	A	-2.3797
49	A	A	-2.3759
50	K	A	-2.4664
51	S	A	-1.3692
52	S	A	-0.7449
53	Q	A	-1.1879
54	T	A	-0.0486
55	I	A	0.8569
56	E	A	-0.6745
57	I	A	1.4131
58	Y	A	1.4931
59	K	A	-0.0520
60	Q	A	-0.3119
61	A	A	0.6195
62	A	A	0.9227
63	Y	A	1.2516
64	S	A	0.6703
65	S	A	1.2062
66	Y	A	1.8660
67	M	A	1.9130
68	G	A	1.3923
69	P	A	1.6909
70	I	A	2.9977
71	A	A	2.4772
72	V	A	3.1950
73	Y	A	3.1333
74	A	A	2.1540
75	A	A	1.7593
76	Y	A	2.4127
77	L	A	1.6644
78	K	A	-0.0825
79	V	A	1.3860
80	D	A	1.1401
81	A	A	1.6013
82	S	A	2.1148
83	F	A	3.5758
84	F	A	4.1823
85	F	A	4.1820
86	L	A	3.6689
87	A	A	2.6325
88	A	A	2.7281
89	Y	A	3.3077
90	M	A	1.7695
91	S	A	0.6345
92	C	A	1.3106
93	V	A	1.0017
94	D	A	-1.6194
95	T	A	-1.7154
96	H	A	-2.2209
97	A	A	-1.3394
98	K	A	-1.9532
99	K	A	-2.0540
100	A	A	-0.8378
101	A	A	-0.5572
102	Y	A	-0.1146
103	Y	A	0.5044
104	S	A	-0.4396
105	N	A	-0.3369
106	N	A	0.2454
107	A	A	0.8106
108	S	A	0.6603
109	Q	A	1.0281
110	F	A	2.6782
111	Y	A	2.5532
112	I	A	2.2579
113	A	A	0.0000
114	A	A	1.8538
115	Y	A	2.1500
116	L	A	1.7477
117	G	A	0.9671
118	S	A	1.1439
119	I	A	2.2065
120	S	A	0.9712
121	P	A	0.0282
122	T	A	0.1128
123	Y	A	1.1746
124	A	A	0.7473
125	K	A	-0.9783
126	A	A	-0.0651
127	A	A	0.4709
128	Y	A	0.8679
129	M	A	0.4586
130	H	A	-0.2707
131	A	A	0.5549
132	S	A	0.4192
133	S	A	0.7101
134	L	A	1.6385
135	S	A	0.7996
136	S	A	0.9499
137	M	A	2.0293
138	Y	A	2.4965
139	A	A	2.0776
140	A	A	2.0910
141	Y	A	3.1891
142	I	A	3.3538
143	S	A	2.0755
144	V	A	2.3137
145	P	A	0.5731
146	S	A	-0.3569
147	Q	A	-1.3535
148	P	A	-0.8884
149	S	A	-0.5457
150	G	A	0.0096
151	F	A	1.2777
152	G	A	0.0713
153	P	A	-0.6575
154	G	A	-0.9576
155	P	A	-1.2597
156	G	A	-1.4553
157	E	A	-1.5024
158	S	A	0.2789
159	I	A	2.2942
160	I	A	2.3779
161	T	A	0.8396
162	S	A	-0.6024
163	D	A	-2.1358
164	P	A	-1.9647
165	E	A	-2.4115
166	W	A	-1.0102
167	D	A	-2.0268
168	G	A	-1.3667
169	P	A	-1.2724
170	G	A	-1.3998
171	P	A	-0.9200
172	G	A	-1.1490
173	D	A	-1.1704
174	I	A	0.9382
175	A	A	0.2460
176	S	A	0.1514
177	S	A	0.2722
178	S	A	0.4144
179	V	A	1.4103
180	S	A	0.3980
181	S	A	-0.2252
182	S	A	-0.9074
183	S	A	-1.8498
184	K	A	-3.2429
185	K	A	-3.8071
186	K	A	-3.9901
187	H	A	-3.3287
188	N	A	-3.0186
189	R	A	-2.5602
190	V	A	-0.5701
191	D	A	-1.8046
192	G	A	-1.1924
193	S	A	-0.7641
194	T	A	-0.3680
195	S	A	-0.3119
196	A	A	-0.4093
197	S	A	-0.5916
198	H	A	-0.6574
199	L	A	0.2076
200	D	A	-0.6833
201	M	A	0.1805
202	S	A	-0.4870
203	T	A	-1.1481
204	N	A	-2.4899
205	K	A	-3.4849
206	K	A	-3.5587
207	N	A	-2.7167
208	S	A	-1.5255
209	G	A	-1.1767
210	S	A	-0.5102
211	T	A	-0.8420
212	A	A	-1.2631
213	K	A	-2.7360
214	D	A	-2.8842
215	S	A	-1.9916
216	S	A	-1.7795
217	E	A	-2.4423
218	T	A	-1.9151
219	K	A	-2.3457
220	T	A	-1.3549
221	S	A	-0.9481
222	G	A	-1.0419
223	S	A	-0.8900
224	A	A	-0.8712
225	K	A	-1.4342
226	S	A	-0.2459
227	V	A	1.3144
228	S	A	0.9770
229	S	A	0.9308
230	I	A	1.6887
231	S	A	0.1222
232	S	A	-0.8289
233	E	A	-1.7321
234	A	A	-0.8593
235	A	A	-0.6982
236	A	A	-0.7425
237	K	A	-1.6572