Project name: 661fe0bf0fdfc31

Chain sequence(s)	A: IRTFLFQPSVIPSGSMIPTLLVGDYIEVNKFSYGYSKYSFPFSYNLFNGRIFNNQPRRGDVVVFRYPKDPSIDYVKRVIGLPGDRISLEKGIIYINGAPVVRHMEGYFSYHYKEDWSSNVPIFQEKLSNGVLYNVLSQDFLAPSSNISEFLVPKGHYFMMGDNRDKSKDSRWVEVGFVPEENLVGRASFVEFSIGGDTPFSKVWEWIPNMRWDRLFKIL
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                                          (00:03:13)
[INFO]       Main:     Simulation completed successfully.                                          (00:03:15)

• Minimal score value: -2.9755
• Maximal score value: 2.5194
• Average score: -0.0947
• Total score value: -20.745

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	1.6162
2	R	A	-0.3848
3	T	A	0.3141
4	F	A	1.5883
5	L	A	1.4170
6	F	A	0.6115
7	Q	A	-0.2531
8	P	A	-0.3676
9	S	A	0.4113
10	V	A	1.8204
11	I	A	0.0000
12	P	A	0.0790
13	S	A	-0.4094
14	G	A	0.0000
15	S	A	-0.7088
16	M	A	0.0000
17	I	A	0.0000
18	P	A	0.0014
19	T	A	-0.0600
20	L	A	0.0000
21	L	A	0.3526
22	V	A	0.0238
23	G	A	0.3913
24	D	A	0.0000
25	Y	A	0.7858
26	I	A	0.0000
27	E	A	0.0466
28	V	A	0.0000
29	N	A	0.2293
30	K	A	0.0000
31	F	A	2.0937
32	S	A	0.4315
33	Y	A	0.0000
34	G	A	0.0000
35	Y	A	0.0000
36	S	A	0.0000
37	K	A	-0.1647
38	Y	A	0.0000
39	S	A	0.0000
40	F	A	1.0087
41	P	A	1.1004
42	F	A	2.0108
43	S	A	1.1625
44	Y	A	1.6616
45	N	A	0.0710
46	L	A	1.2220
47	F	A	0.3879
48	N	A	-1.2075
49	G	A	-1.2138
50	R	A	-0.5339
51	I	A	1.0454
52	F	A	1.7670
53	N	A	-0.5395
54	N	A	-1.1169
55	Q	A	-1.8604
56	P	A	0.0000
57	R	A	-2.3664
58	R	A	-1.4383
59	G	A	0.0000
60	D	A	-0.9609
61	V	A	0.0000
62	V	A	0.0000
63	V	A	0.0000
64	F	A	0.0000
65	R	A	-0.8346
66	Y	A	0.0000
67	P	A	-1.3253
68	K	A	-2.2193
69	D	A	-1.6953
70	P	A	-0.9160
71	S	A	-0.2439
72	I	A	0.1194
73	D	A	-0.5533
74	Y	A	-0.1431
75	V	A	-0.0455
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	-0.5530
82	P	A	-0.8175
83	G	A	-0.6826
84	D	A	0.0000
85	R	A	-1.1095
86	I	A	0.0000
87	S	A	-1.2593
88	L	A	0.0000
89	E	A	-2.0323
90	K	A	-1.0701
91	G	A	0.0000
92	I	A	-0.0038
93	I	A	0.0000
94	Y	A	-0.5342
95	I	A	0.0000
96	N	A	-1.6718
97	G	A	-1.3570
98	A	A	-0.4142
99	P	A	-0.1267
100	V	A	0.0000
101	V	A	1.1911
102	R	A	-0.1898
103	H	A	-0.9708
104	M	A	-0.5572
105	E	A	-1.4926
106	G	A	-0.2560
107	Y	A	0.8071
108	F	A	0.3932
109	S	A	-0.1708
110	Y	A	0.0000
111	H	A	-1.4624
112	Y	A	0.0000
113	K	A	-2.9755
114	E	A	-2.8405
115	D	A	-1.4935
116	W	A	-0.2304
117	S	A	-0.0969
118	S	A	-0.4800
119	N	A	-0.8579
120	V	A	-0.2938
121	P	A	0.0000
122	I	A	-0.1538
123	F	A	-0.3052
124	Q	A	-0.6397
125	E	A	0.0000
126	K	A	-0.5162
127	L	A	0.0000
128	S	A	-0.7224
129	N	A	-1.6423
130	G	A	-0.6975
131	V	A	-0.0069
132	L	A	0.7291
133	Y	A	0.0000
134	N	A	-0.6393
135	V	A	0.0000
136	L	A	0.0000
137	S	A	0.0000
138	Q	A	-1.5225
139	D	A	-0.9987
140	F	A	0.4635
141	L	A	1.0816
142	A	A	0.1242
143	P	A	-0.2561
144	S	A	-0.5429
145	S	A	0.0000
146	N	A	-1.1374
147	I	A	0.0000
148	S	A	-1.4320
149	E	A	-1.8412
150	F	A	0.1913
151	L	A	0.7466
152	V	A	0.0000
153	P	A	-0.5940
154	K	A	-1.7985
155	G	A	-1.3843
156	H	A	-1.0090
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	-2.0352
166	K	A	-1.7459
167	S	A	0.0000
168	K	A	-1.2707
169	D	A	0.0000
170	S	A	0.0000
171	R	A	0.0000
172	W	A	0.9840
173	V	A	1.6575
174	E	A	-0.2113
175	V	A	0.0000
176	G	A	0.3957
177	F	A	0.7336
178	V	A	0.0000
179	P	A	-0.8560
180	E	A	-1.5275
181	E	A	-1.6373
182	N	A	0.0000
183	L	A	0.0000
184	V	A	0.0000
185	G	A	0.0000
186	R	A	-0.3942
187	A	A	0.0000
188	S	A	0.3505
189	F	A	0.0000
190	V	A	0.0000
191	E	A	0.0558
192	F	A	0.6147
193	S	A	0.0000
194	I	A	0.0000
195	G	A	0.0000
196	G	A	-1.5632
197	D	A	-1.8579
198	T	A	-0.2543
199	P	A	0.3464
200	F	A	2.0662
201	S	A	0.9185
202	K	A	0.7425
203	V	A	2.5194
204	W	A	2.0607
205	E	A	0.8793
206	W	A	1.6575
207	I	A	2.3804
208	P	A	0.5413
209	N	A	0.0856
210	M	A	0.6174
211	R	A	0.1148
212	W	A	0.9094
213	D	A	-0.9021
214	R	A	0.2093
215	L	A	1.5186
216	F	A	2.1502
217	K	A	1.2016
218	I	A	2.3423
219	L	A	1.3615