Project name: GenX_V5_ED_Final

Chain sequence(s)	A: GMAFLRFYKGGGGGGGFFFPPPPPPPKKKKKKKIFWPCGLTIDYPNRLLYFMDSYLDYMDFCDYNGHHRRQVIASDLIIRHPYALTLFSVYWTDRATRRVMRANKWHGGNQSVVMYNIQWPLGIVAVHPSKQPNSVNPCAFSRCSHLCLLSSQGPHFYSCVCPSGWSLSPDLLNCLRDDQPFLITVRQHIIFGISLNPEVNDAMVPIAGIQNGLDVEFDDAEQYIYWVENPGEIHRDRWHQQDSICFYIYGGAFYEPGLRLDFKKPLFYASSLTDSLR
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]                                                (00:00:01)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:01)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with A chain(s) selected             (00:00:01)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:01)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:01)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:02:40)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:42)

• Minimal score value: -4.6476
• Maximal score value: 3.5595
• Average score: -0.3027
• Total score value: -84.1508

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	0.1429
2	M	A	1.4625
3	A	A	1.3828
4	F	A	2.2897
5	L	A	1.8822
6	R	A	0.1930
7	F	A	1.6108
8	Y	A	0.9603
9	K	A	-1.0819
10	G	A	-0.6162
11	G	A	-1.1593
12	G	A	-1.3516
13	G	A	-1.2438
14	G	A	-1.1940
15	G	A	-0.3615
16	G	A	0.8052
17	F	A	2.9909
18	F	A	3.5595
19	F	A	3.0793
20	P	A	1.0970
21	P	A	0.1479
22	P	A	-0.3764
23	P	A	-0.6934
24	P	A	-0.9247
25	P	A	-1.3654
26	P	A	-2.0136
27	K	A	-3.4211
28	K	A	-4.4041
29	K	A	-4.5506
30	K	A	-4.6476
31	K	A	-4.2868
32	K	A	-3.8031
33	K	A	-1.9037
34	I	A	0.2092
35	F	A	1.4592
36	W	A	1.5915
37	P	A	1.2300
38	C	A	1.0658
39	G	A	0.5273
40	L	A	0.7206
41	T	A	0.0000
42	I	A	0.2655
43	D	A	0.0000
44	Y	A	-0.1921
45	P	A	-0.7039
46	N	A	-1.4250
47	R	A	-1.9090
48	L	A	-1.1133
49	L	A	-0.1235
50	Y	A	0.0000
51	F	A	0.4227
52	M	A	0.0000
53	D	A	0.0000
54	S	A	0.6909
55	Y	A	1.4697
56	L	A	0.7231
57	D	A	-0.3658
58	Y	A	0.0000
59	M	A	0.0000
60	D	A	0.0000
61	F	A	0.0000
62	C	A	-1.8751
63	D	A	-1.9418
64	Y	A	-0.5022
65	N	A	-1.7799
66	G	A	-1.7900
67	H	A	-2.4693
68	H	A	-2.4843
69	R	A	-2.6498
70	R	A	-2.7395
71	Q	A	-1.5592
72	V	A	0.0000
73	I	A	0.0000
74	A	A	-0.1951
75	S	A	-0.5043
76	D	A	-1.3573
77	L	A	0.4442
78	I	A	-0.0142
79	I	A	0.0000
80	R	A	-1.6271
81	H	A	-1.4017
82	P	A	0.0000
83	Y	A	0.7624
84	A	A	0.8641
85	L	A	0.0000
86	T	A	0.0000
87	L	A	0.0000
88	F	A	2.0224
89	S	A	0.5247
90	V	A	0.0000
91	Y	A	0.4775
92	W	A	0.0000
93	T	A	0.0000
94	D	A	0.0000
95	R	A	-1.4007
96	A	A	-1.4321
97	T	A	-1.5402
98	R	A	-2.3783
99	R	A	-1.0089
100	V	A	0.0000
101	M	A	0.1077
102	R	A	-0.8306
103	A	A	0.0000
104	N	A	-1.2299
105	K	A	-0.4072
106	W	A	-0.5507
107	H	A	-1.4361
108	G	A	0.0000
109	G	A	-1.4697
110	N	A	-2.0345
111	Q	A	-1.2419
112	S	A	-0.2873
113	V	A	1.3665
114	V	A	1.5314
115	M	A	1.1417
116	Y	A	0.5830
117	N	A	-1.2434
118	I	A	-0.6546
119	Q	A	-1.1433
120	W	A	0.2370
121	P	A	0.0000
122	L	A	1.2572
123	G	A	0.8860
124	I	A	1.4604
125	V	A	2.4473
126	A	A	2.0855
127	V	A	2.0248
128	H	A	0.5351
129	P	A	-0.8551
130	S	A	-0.3943
131	K	A	-0.4020
132	Q	A	-1.5743
133	P	A	-1.4027
134	N	A	-1.6628
135	S	A	-0.5670
136	V	A	0.7691
137	N	A	0.1464
138	P	A	1.0625
139	C	A	1.0955
140	A	A	0.6845
141	F	A	1.3710
142	S	A	0.0116
143	R	A	-1.2613
144	C	A	-0.1108
145	S	A	-0.3635
146	H	A	-0.2633
147	L	A	0.8423
148	C	A	1.4775
149	L	A	2.5503
150	L	A	2.1829
151	S	A	1.1441
152	S	A	0.2857
153	Q	A	-0.9355
154	G	A	-0.8910
155	P	A	-0.7721
156	H	A	-0.4344
157	F	A	1.1835
158	Y	A	1.3021
159	S	A	1.1528
160	C	A	0.0000
161	V	A	1.4511
162	C	A	0.8780
163	P	A	0.2430
164	S	A	-0.2000
165	G	A	-0.4266
166	W	A	-0.0565
167	S	A	0.3376
168	L	A	0.8249
169	S	A	0.2842
170	P	A	-0.3068
171	D	A	-0.8906
172	L	A	0.6695
173	L	A	-0.2124
174	N	A	-0.5443
175	C	A	0.5489
176	L	A	0.7764
177	R	A	-0.7026
178	D	A	-1.5183
179	D	A	-2.2598
180	Q	A	-1.3902
181	P	A	-0.0507
182	F	A	1.4616
183	L	A	2.6393
184	I	A	1.6651
185	T	A	0.6860
186	V	A	-0.8390
187	R	A	-2.5687
188	Q	A	-2.9766
189	H	A	-2.3792
190	I	A	-0.9150
191	I	A	0.0000
192	F	A	1.0234
193	G	A	0.0000
194	I	A	1.8683
195	S	A	0.9957
196	L	A	1.4265
197	N	A	-0.4644
198	P	A	-0.9274
199	E	A	-1.8362
200	V	A	-0.5339
201	N	A	-1.3340
202	D	A	-0.7352
203	A	A	0.0000
204	M	A	0.0000
205	V	A	0.2720
206	P	A	0.4429
207	I	A	0.2509
208	A	A	-0.3939
209	G	A	-1.0508
210	I	A	0.0000
211	Q	A	-2.4544
212	N	A	-2.3923
213	G	A	-1.8626
214	L	A	-1.0654
215	D	A	-1.2066
216	V	A	-0.5665
217	E	A	-1.0311
218	F	A	-0.9899
219	D	A	-1.5654
220	D	A	-2.2018
221	A	A	-1.4828
222	E	A	-2.7202
223	Q	A	-2.2755
224	Y	A	0.0000
225	I	A	0.0000
226	Y	A	0.0000
227	W	A	0.0000
228	V	A	0.0000
229	E	A	0.0000
230	N	A	-1.1388
231	P	A	-0.4751
232	G	A	0.0000
233	E	A	0.3638
234	I	A	0.0000
235	H	A	0.9663
236	R	A	-0.3407
237	D	A	0.0000
238	R	A	-3.1699
239	W	A	-2.1255
240	H	A	-1.9406
241	Q	A	-2.9071
242	Q	A	-2.7739
243	D	A	-2.5210
244	S	A	-0.7803
245	I	A	1.4323
246	C	A	1.8419
247	F	A	2.2357
248	Y	A	2.1197
249	I	A	2.2649
250	Y	A	0.8998
251	G	A	0.0415
252	G	A	-0.0070
253	A	A	-0.2072
254	F	A	0.0000
255	Y	A	0.7159
256	E	A	-0.9773
257	P	A	0.0000
258	G	A	-0.9367
259	L	A	0.0000
260	R	A	-1.6690
261	L	A	-0.8246
262	D	A	-0.8183
263	F	A	0.0153
264	K	A	-1.7102
265	K	A	-2.0458
266	P	A	-1.1127
267	L	A	-0.9716
268	F	A	-0.7200
269	Y	A	-1.0920
270	A	A	0.0000
271	S	A	-0.8446
272	S	A	-0.0302
273	L	A	0.9693
274	T	A	0.0556
275	D	A	-1.4049
276	S	A	-1.0252
277	L	A	-0.8866
278	R	A	-1.7322