Project name: LG8W

Chain sequence(s)	A: SNDIYFNFQRFNETNLILQRDASVSSSGQLRLTNLNGNGEPRVGSLGRAFYSAPIQIWDNTTGTVASFATSFTFNIQVPNNAGPADGLAFALVPVGSQPKDKGGFLGLFDGSNSNFHTVAVEFDTLYNKDWDPTERHIGIDVNSIRSIKTTRWDFVNGENAEVLITYDSSTNLLVASLVYPSQKTSFIVSDTVDLKSVLPEWVSVGFSATTGINKGNVETNDVLSWSFASKLS
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                                          (00:01:20)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:21)

• Minimal score value: -2.7691
• Maximal score value: 2.0576
• Average score: -0.6798
• Total score value: -158.3965

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	S	A	-1.7457
2	N	A	-2.6537
3	D	A	-2.6144
4	I	A	-0.4066
5	Y	A	0.7951
6	F	A	0.0000
7	N	A	-0.8285
8	F	A	-1.3334
9	Q	A	-2.1020
10	R	A	-2.7007
11	F	A	0.0000
12	N	A	-2.7518
13	E	A	-2.5034
14	T	A	-1.7245
15	N	A	-1.8755
16	L	A	0.0000
17	I	A	0.3369
18	L	A	-0.1520
19	Q	A	-0.9436
20	R	A	-2.1544
21	D	A	-1.4115
22	A	A	0.0000
23	S	A	-1.0148
24	V	A	-1.1269
25	S	A	-0.9575
26	S	A	-0.5297
27	S	A	-0.8078
28	G	A	0.0000
29	Q	A	-1.2809
30	L	A	0.0000
31	R	A	-0.6451
32	L	A	0.0000
33	T	A	0.0000
34	N	A	-1.2968
35	L	A	-1.4679
36	N	A	-2.3219
37	G	A	-2.1284
38	N	A	-2.2593
39	G	A	-2.1797
40	E	A	-2.4950
41	P	A	0.0000
42	R	A	-1.3957
43	V	A	-0.4248
44	G	A	0.0565
45	S	A	0.0000
46	L	A	0.0000
47	G	A	0.0000
48	R	A	0.0000
49	A	A	0.0000
50	F	A	0.0000
51	Y	A	-0.1739
52	S	A	-0.2315
53	A	A	0.0694
54	P	A	0.2397
55	I	A	0.0000
56	Q	A	-0.6427
57	I	A	0.0000
58	W	A	-0.8805
59	D	A	-1.2314
60	N	A	-1.8013
61	T	A	-0.8990
62	T	A	-0.7213
63	G	A	-1.0002
64	T	A	-0.6336
65	V	A	-0.9940
66	A	A	0.0000
67	S	A	-1.0883
68	F	A	0.0000
69	A	A	0.0870
70	T	A	0.0000
71	S	A	0.0572
72	F	A	0.0000
73	T	A	-0.6097
74	F	A	0.0000
75	N	A	-1.1552
76	I	A	0.0000
77	Q	A	-1.7412
78	V	A	-1.3180
79	P	A	-1.6519
80	N	A	-2.1345
81	N	A	-1.9701
82	A	A	-1.4443
83	G	A	-1.0409
84	P	A	-0.3105
85	A	A	0.0000
86	D	A	0.0000
87	G	A	0.0000
88	L	A	0.0000
89	A	A	0.0000
90	F	A	0.0000
91	A	A	0.0000
92	L	A	0.0000
93	V	A	0.0000
94	P	A	0.3309
95	V	A	1.1101
96	G	A	-0.0858
97	S	A	-0.4925
98	Q	A	-1.5270
99	P	A	-1.6786
100	K	A	-1.8167
101	D	A	-2.0501
102	K	A	-1.2903
103	G	A	0.0000
104	G	A	-0.0754
105	F	A	-1.0287
106	L	A	0.0000
107	G	A	0.0000
108	L	A	0.0000
109	F	A	0.0000
110	D	A	-1.9840
111	G	A	-1.6614
112	S	A	-1.5249
113	N	A	-2.0632
114	S	A	-1.7369
115	N	A	-1.8604
116	F	A	-1.0426
117	H	A	-0.7542
118	T	A	0.0000
119	V	A	0.0000
120	A	A	0.0000
121	V	A	0.0000
122	E	A	0.0000
123	F	A	0.0000
124	D	A	0.0000
125	T	A	0.0000
126	L	A	0.0363
127	Y	A	-0.3784
128	N	A	-1.5032
129	K	A	-2.4414
130	D	A	-2.7691
131	W	A	-1.7942
132	D	A	-1.6199
133	P	A	-1.6652
134	T	A	-1.3214
135	E	A	-2.4241
136	R	A	-1.9632
137	H	A	0.0000
138	I	A	0.0000
139	G	A	0.0000
140	I	A	0.0000
141	D	A	0.0000
142	V	A	-0.1709
143	N	A	-0.8753
144	S	A	-1.1368
145	I	A	0.0000
146	R	A	-2.0459
147	S	A	-0.7819
148	I	A	0.0134
149	K	A	-0.9044
150	T	A	-0.8334
151	T	A	-1.1731
152	R	A	-2.5108
153	W	A	0.0000
154	D	A	-2.5164
155	F	A	-1.3502
156	V	A	-1.1103
157	N	A	-1.7213
158	G	A	-1.4491
159	E	A	-1.8227
160	N	A	-1.7332
161	A	A	0.0000
162	E	A	-1.2293
163	V	A	0.0000
164	L	A	1.2530
165	I	A	0.0000
166	T	A	0.2139
167	Y	A	0.0000
168	D	A	-0.9198
169	S	A	-0.9501
170	S	A	-0.5455
171	T	A	-0.5733
172	N	A	-0.8336
173	L	A	-0.2275
174	L	A	0.0000
175	V	A	0.6820
176	A	A	0.0000
177	S	A	1.2329
178	L	A	0.0000
179	V	A	-0.1745
180	Y	A	0.0000
181	P	A	-1.4434
182	S	A	-1.3450
183	Q	A	-1.8568
184	K	A	-2.1374
185	T	A	-1.2959
186	S	A	-0.3527
187	F	A	0.6094
188	I	A	2.0576
189	V	A	0.0000
190	S	A	0.1840
191	D	A	-0.3928
192	T	A	-0.5030
193	V	A	0.0000
194	D	A	-1.3558
195	L	A	0.0000
196	K	A	-1.5102
197	S	A	-0.8849
198	V	A	-0.7251
199	L	A	0.0000
200	P	A	-0.3959
201	E	A	-0.6635
202	W	A	0.5930
203	V	A	0.0000
204	S	A	0.0000
205	V	A	0.0000
206	G	A	0.0000
207	F	A	0.0000
208	S	A	0.0000
209	A	A	0.0000
210	T	A	0.0000
211	T	A	0.0000
212	G	A	0.0000
213	I	A	0.7707
214	N	A	-1.1677
215	K	A	-2.0693
216	G	A	-1.6033
217	N	A	-0.9682
218	V	A	0.0000
219	E	A	0.0000
220	T	A	-0.7282
221	N	A	0.0000
222	D	A	0.0000
223	V	A	0.0000
224	L	A	-0.7403
225	S	A	-1.0863
226	W	A	0.0000
227	S	A	-0.0895
228	F	A	0.0000
229	A	A	-0.0805
230	S	A	0.0000
231	K	A	-2.4552
232	L	A	0.0000
233	S	A	-1.2246