Project name: afa4fae5d38ba9f

Chain sequence(s)	A: IRTFLFQPSVIPSGSMIPTLLVGDYIIVNKFSYGYSKYSFPFSYNLFNGRIFNNQPRRGDVVVFRYPKDPSIDYVKRVIGLPGDRISLEKGIIYINGAPVVRHMEGYFSYHYKEDWSSNVPIFQEKLSNGVLYNVLSQDFLAPSSNISEFLVPKGHYFMMGDNRDKSKDSRWVEVGFVPEENLVGRASYTQYSIGGDTPFSKTWQWTPNMRWDRLFKIL
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]                                                (00:00:09)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:09)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with A chain(s) selected             (00:00:09)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:09)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:09)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:04:24)
[INFO]       Main:     Simulation completed successfully.                                          (00:04:26)

• Minimal score value: -3.0304
• Maximal score value: 2.4722
• Average score: -0.2101
• Total score value: -46.0048

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	I	A	1.6067
2	R	A	-0.3798
3	T	A	0.3004
4	F	A	1.6839
5	L	A	1.6107
6	F	A	0.7999
7	Q	A	-0.4134
8	P	A	-0.2267
9	S	A	0.3456
10	V	A	1.5034
11	I	A	0.0000
12	P	A	0.0393
13	S	A	-0.4288
14	G	A	0.0000
15	S	A	-0.7059
16	M	A	0.0000
17	I	A	0.0000
18	P	A	0.0154
19	T	A	0.0167
20	L	A	0.0000
21	L	A	0.3371
22	V	A	0.0020
23	G	A	0.2948
24	D	A	0.0000
25	Y	A	0.9623
26	I	A	0.0000
27	I	A	0.0000
28	V	A	0.0000
29	N	A	0.3834
30	K	A	0.0000
31	F	A	2.1720
32	S	A	0.3741
33	Y	A	0.0000
34	G	A	0.0000
35	Y	A	0.0000
36	S	A	0.0000
37	K	A	-0.0358
38	Y	A	0.0500
39	S	A	0.0000
40	F	A	1.1107
41	P	A	1.1611
42	F	A	2.0660
43	S	A	1.2860
44	Y	A	1.7288
45	N	A	0.1343
46	L	A	1.2616
47	F	A	0.4184
48	N	A	-1.1759
49	G	A	-1.2578
50	R	A	-0.4669
51	I	A	0.8400
52	F	A	1.6390
53	N	A	-0.6928
54	N	A	-1.7990
55	Q	A	-2.3841
56	P	A	0.0000
57	R	A	-2.5725
58	R	A	-1.3975
59	G	A	0.0000
60	D	A	-0.9964
61	V	A	0.0000
62	V	A	0.0000
63	V	A	0.0000
64	F	A	0.0000
65	R	A	-1.1095
66	Y	A	0.0000
67	P	A	-1.3941
68	K	A	-2.2062
69	D	A	-1.8023
70	P	A	-1.0448
71	S	A	-0.3684
72	I	A	-0.2672
73	D	A	-1.3487
74	Y	A	-0.5629
75	V	A	-0.2487
76	K	A	0.0000
77	R	A	0.0000
78	V	A	0.0000
79	I	A	0.0000
80	G	A	0.0000
81	L	A	-0.6573
82	P	A	-0.8934
83	G	A	-0.8044
84	D	A	0.0000
85	R	A	-1.5814
86	I	A	0.0000
87	S	A	-1.3966
88	L	A	0.0000
89	E	A	-2.1745
90	K	A	-1.5362
91	G	A	-1.0150
92	I	A	-0.1694
93	I	A	0.0000
94	Y	A	-0.5883
95	I	A	0.0000
96	N	A	-1.9244
97	G	A	-1.4447
98	A	A	-0.4590
99	P	A	-0.1075
100	V	A	0.0000
101	V	A	1.1933
102	R	A	-0.2456
103	H	A	-1.2086
104	M	A	-0.6608
105	E	A	-1.6053
106	G	A	-0.3270
107	Y	A	0.7704
108	F	A	0.3532
109	S	A	-0.1789
110	Y	A	0.0000
111	H	A	-1.4868
112	Y	A	0.0000
113	K	A	-3.0304
114	E	A	-2.8700
115	D	A	-1.4908
116	W	A	-0.2300
117	S	A	-0.0977
118	S	A	-0.4847
119	N	A	-0.8689
120	V	A	-0.3474
121	P	A	0.0000
122	I	A	-0.3090
123	F	A	0.0000
124	Q	A	-0.8815
125	E	A	0.0000
126	K	A	-0.3326
127	L	A	0.0000
128	S	A	-0.4698
129	N	A	-1.1796
130	G	A	-0.4312
131	V	A	0.1584
132	L	A	0.9609
133	Y	A	0.0000
134	N	A	-0.6879
135	V	A	0.0000
136	L	A	0.0000
137	S	A	0.0000
138	Q	A	-1.8479
139	D	A	-1.5586
140	F	A	-0.6403
141	L	A	0.5391
142	A	A	-0.1656
143	P	A	-0.3960
144	S	A	-0.6758
145	S	A	0.0000
146	N	A	-1.2331
147	I	A	-1.0538
148	S	A	-1.4183
149	E	A	-2.1019
150	F	A	-0.4076
151	L	A	0.1767
152	V	A	0.0000
153	P	A	-0.7226
154	K	A	-1.8140
155	G	A	-1.4096
156	H	A	-0.9583
157	Y	A	0.0000
158	F	A	0.0000
159	M	A	0.0000
160	M	A	0.0000
161	G	A	0.0000
162	D	A	0.0000
163	N	A	0.0000
164	R	A	0.0000
165	D	A	-2.0817
166	K	A	-1.8010
167	S	A	0.0000
168	K	A	-1.2355
169	D	A	0.0000
170	S	A	0.0000
171	R	A	0.1990
172	W	A	0.8708
173	V	A	1.6172
174	E	A	-0.1736
175	V	A	0.0000
176	G	A	0.3815
177	F	A	0.6269
178	V	A	0.0000
179	P	A	-0.7974
180	E	A	-1.5457
181	E	A	-1.4893
182	N	A	0.0000
183	L	A	0.0000
184	V	A	0.0000
185	G	A	0.0000
186	R	A	-0.6412
187	A	A	0.0000
188	S	A	0.0000
189	Y	A	1.5892
190	T	A	0.0000
191	Q	A	0.7179
192	Y	A	0.6650
193	S	A	0.0000
194	I	A	0.0000
195	G	A	0.0000
196	G	A	-1.6742
197	D	A	-2.1010
198	T	A	-0.5991
199	P	A	-0.0019
200	F	A	1.4304
201	S	A	0.4063
202	K	A	-0.0660
203	T	A	0.4028
204	W	A	0.8011
205	Q	A	-0.1666
206	W	A	0.1315
207	T	A	0.0549
208	P	A	-0.3992
209	N	A	-0.5307
210	M	A	-0.1413
211	R	A	-0.2895
212	W	A	0.4185
213	D	A	-1.1401
214	R	A	-0.0224
215	L	A	0.9939
216	F	A	2.1190
217	K	A	1.0905
218	I	A	2.4722
219	L	A	1.4745