Project name: 13974c6f9910a1f

Chain sequence(s)	A: IRTFLFQPSVIPSGSMIPTLLVGDYIIVNKFSYGYSKYSFPFSYNLFNGRIFNNQPRRGDVVVFRYPKDPSIDYVKRVIGLPGDRISLEKGIIYINGAPVVRHMEGYFSYHYKEDWSSNVPIFQEKLSNGVLYNVLSQDFLAPSSNISEFLVPKGHYFMMGDNRDKSKDSRWVEVGFVPEENLVGRASFVLFSIGGDTPFSKTWQWTPNMRWDRLFKIL
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                                          (00:03:53)
[INFO]       Main:     Simulation completed successfully.                                          (00:03:55)

• Minimal score value: -3.025
• Maximal score value: 2.532
• Average score: -0.2131
• Total score value: -46.6672

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	1.6701
2	R	A	-0.0782
3	T	A	0.4994
4	F	A	1.5566
5	L	A	1.5458
6	F	A	1.1488
7	Q	A	-0.0038
8	P	A	0.1034
9	S	A	0.3525
10	V	A	1.2063
11	I	A	0.0000
12	P	A	-0.1015
13	S	A	-0.4807
14	G	A	0.0000
15	S	A	-0.7416
16	M	A	0.0000
17	I	A	0.0000
18	P	A	-0.0265
19	T	A	-0.0271
20	L	A	0.0000
21	L	A	0.0000
22	V	A	-0.0608
23	G	A	0.0240
24	D	A	0.0000
25	Y	A	1.1459
26	I	A	0.0000
27	I	A	0.0000
28	V	A	0.0000
29	N	A	0.6132
30	K	A	0.0000
31	F	A	2.0081
32	S	A	0.3289
33	Y	A	0.0000
34	G	A	0.0000
35	Y	A	0.7330
36	S	A	0.0000
37	K	A	-0.1015
38	Y	A	0.0604
39	S	A	0.0000
40	F	A	1.1081
41	P	A	1.2085
42	F	A	2.0590
43	S	A	1.2176
44	Y	A	1.5826
45	N	A	0.0274
46	L	A	1.1771
47	F	A	0.3519
48	N	A	-1.2123
49	G	A	-1.1230
50	R	A	-0.4738
51	I	A	0.8134
52	F	A	1.6649
53	N	A	-0.5653
54	N	A	-1.5365
55	Q	A	-1.8728
56	P	A	0.0000
57	R	A	-2.4376
58	R	A	-1.4657
59	G	A	0.0000
60	D	A	-1.0103
61	V	A	0.0000
62	V	A	0.0000
63	V	A	0.0000
64	F	A	0.0000
65	R	A	-1.1075
66	Y	A	0.0000
67	P	A	-1.3606
68	K	A	-2.1838
69	D	A	-1.7776
70	P	A	-1.0453
71	S	A	-0.3881
72	I	A	-0.2597
73	D	A	-1.3493
74	Y	A	-0.5118
75	V	A	-0.2575
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	-0.6592
82	P	A	-0.8636
83	G	A	-0.8515
84	D	A	0.0000
85	R	A	-1.6767
86	I	A	0.0000
87	S	A	-1.3898
88	L	A	0.0000
89	E	A	-2.1858
90	K	A	-1.5768
91	G	A	0.0000
92	I	A	-0.1613
93	I	A	0.0000
94	Y	A	-0.6028
95	I	A	0.0000
96	N	A	-1.9693
97	G	A	-1.4829
98	A	A	-0.5132
99	P	A	-0.2052
100	V	A	0.0000
101	V	A	0.8019
102	R	A	-0.4892
103	H	A	-1.3208
104	M	A	-0.6833
105	E	A	-1.6343
106	G	A	-0.3531
107	Y	A	0.7302
108	F	A	0.2840
109	S	A	-0.1047
110	Y	A	-0.1624
111	H	A	-1.3909
112	Y	A	0.0000
113	K	A	-3.0250
114	E	A	-2.8856
115	D	A	-1.4832
116	W	A	-0.1432
117	S	A	0.0000
118	S	A	-0.4184
119	N	A	-0.8930
120	V	A	-0.3294
121	P	A	0.0000
122	I	A	-0.3070
123	F	A	0.0000
124	Q	A	-1.0864
125	E	A	0.0000
126	K	A	-1.0212
127	L	A	0.0000
128	S	A	-0.8914
129	N	A	-1.7951
130	G	A	-0.9937
131	V	A	-0.2445
132	L	A	0.4167
133	Y	A	0.0000
134	N	A	-0.8263
135	V	A	0.0000
136	L	A	0.0000
137	S	A	0.0000
138	Q	A	-1.7087
139	D	A	-1.5403
140	F	A	-0.6396
141	L	A	0.5308
142	A	A	-0.3745
143	P	A	-0.3747
144	S	A	-0.6457
145	S	A	0.0000
146	N	A	-1.2627
147	I	A	-1.0777
148	S	A	-1.4381
149	E	A	-2.1168
150	F	A	-0.4032
151	L	A	0.2619
152	V	A	0.0000
153	P	A	-0.6880
154	K	A	-1.8129
155	G	A	-1.3542
156	H	A	-0.9584
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	-2.2219
166	K	A	-1.8346
167	S	A	0.0000
168	K	A	-1.0758
169	D	A	0.0000
170	S	A	0.0000
171	R	A	0.4303
172	W	A	1.3480
173	V	A	1.8983
174	E	A	0.0607
175	V	A	0.0000
176	G	A	0.5890
177	F	A	0.6591
178	V	A	0.0000
179	P	A	-0.7858
180	E	A	-1.4862
181	E	A	-1.4711
182	N	A	0.0000
183	L	A	0.0000
184	V	A	0.0000
185	G	A	0.0000
186	R	A	-0.4279
187	A	A	0.0000
188	S	A	0.7249
189	F	A	1.6799
190	V	A	0.0000
191	L	A	1.5419
192	F	A	1.1322
193	S	A	0.0000
194	I	A	0.0000
195	G	A	0.0000
196	G	A	-1.6534
197	D	A	-2.1789
198	T	A	-1.0097
199	P	A	-0.6024
200	F	A	0.3249
201	S	A	-0.2114
202	K	A	-0.5402
203	T	A	0.0571
204	W	A	0.6265
205	Q	A	-0.4114
206	W	A	-0.0675
207	T	A	0.0498
208	P	A	-0.4098
209	N	A	-0.5185
210	M	A	-0.0703
211	R	A	-0.1385
212	W	A	0.5460
213	D	A	-1.0014
214	R	A	0.0000
215	L	A	1.4323
216	F	A	2.4814
217	K	A	1.2690
218	I	A	2.5320
219	L	A	1.4097