Project name: 61fea84c597eda7

Chain sequence(s)	A: IRTFLFQPSVIPSGSMIPTLLVGDYTTTNKYSYGYSKYSFPFSYNLFNGRIFNNQPRRGDVVVFRYPKDPSIDYVKRVIGLPGDRISLEKGIIYINGAPVVRHMEGYFSYHYKEDWSSNVPIFQEKLSNGVLYNVLSQDFLAPSSNISEFLVPKGHYFMMGDNRDKSKDSRWVEVGFVPEENLVGRASYTQYSIGGDTPFSKTWQWTPNMRWDRLFKIL
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                                          (00:02:45)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:47)

• Minimal score value: -2.8515
• Maximal score value: 2.4489
• Average score: -0.1894
• Total score value: -41.4736

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	1.5462
2	R	A	-0.3746
3	T	A	0.3242
4	F	A	1.4308
5	L	A	1.2003
6	F	A	0.6378
7	Q	A	-0.2100
8	P	A	0.0319
9	S	A	0.4183
10	V	A	1.5667
11	I	A	0.0000
12	P	A	0.0210
13	S	A	-0.4090
14	G	A	0.0000
15	S	A	-0.6071
16	M	A	0.0000
17	I	A	0.0000
18	P	A	-0.0001
19	T	A	0.1190
20	L	A	0.0000
21	L	A	0.3160
22	V	A	0.1440
23	G	A	0.3623
24	D	A	0.0000
25	Y	A	0.9958
26	T	A	0.0000
27	T	A	0.0000
28	T	A	0.0000
29	N	A	0.0000
30	K	A	0.0000
31	Y	A	1.2792
32	S	A	0.1060
33	Y	A	0.0000
34	G	A	0.0000
35	Y	A	0.7270
36	S	A	0.0000
37	K	A	-0.0461
38	Y	A	0.0000
39	S	A	0.0000
40	F	A	1.1220
41	P	A	1.2136
42	F	A	2.0589
43	S	A	1.1976
44	Y	A	1.6948
45	N	A	0.1049
46	L	A	1.2718
47	F	A	0.5556
48	N	A	-1.0857
49	G	A	-1.0348
50	R	A	-0.3153
51	I	A	1.1473
52	F	A	1.7882
53	N	A	-0.5476
54	N	A	-1.2440
55	Q	A	-1.8860
56	P	A	0.0000
57	R	A	-2.3714
58	R	A	-1.4368
59	G	A	0.0000
60	D	A	-0.9702
61	V	A	0.0000
62	V	A	0.0000
63	V	A	0.0000
64	F	A	0.0000
65	R	A	-0.7237
66	Y	A	0.0000
67	P	A	-1.3452
68	K	A	-2.2799
69	D	A	-1.6806
70	P	A	-0.8625
71	S	A	-0.1628
72	I	A	0.2521
73	D	A	-0.3058
74	Y	A	0.0202
75	V	A	0.0026
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	-0.6771
82	P	A	-0.9832
83	G	A	-1.0396
84	D	A	0.0000
85	R	A	-1.8199
86	I	A	0.0000
87	S	A	-1.4209
88	L	A	0.0000
89	E	A	-2.2150
90	K	A	-1.6312
91	G	A	-1.0507
92	I	A	-0.1880
93	I	A	0.0000
94	Y	A	-0.5683
95	I	A	0.0000
96	N	A	-2.0161
97	G	A	-1.4791
98	A	A	-0.4735
99	P	A	-0.1174
100	V	A	0.0000
101	V	A	1.0919
102	R	A	-0.5286
103	H	A	-1.2464
104	M	A	-0.7590
105	E	A	-1.6231
106	G	A	-0.3064
107	Y	A	0.7782
108	F	A	0.3710
109	S	A	-0.1715
110	Y	A	0.0000
111	H	A	-1.4294
112	Y	A	-1.7582
113	K	A	-2.8515
114	E	A	-2.7843
115	D	A	-1.4739
116	W	A	-0.2093
117	S	A	-0.0797
118	S	A	-0.4782
119	N	A	-0.8501
120	V	A	-0.4230
121	P	A	0.0000
122	I	A	-0.3157
123	F	A	0.0000
124	Q	A	-0.8166
125	E	A	0.0000
126	K	A	-0.4174
127	L	A	0.0000
128	S	A	-0.6733
129	N	A	-1.6098
130	G	A	-0.6407
131	V	A	0.0650
132	L	A	0.8126
133	Y	A	0.0000
134	N	A	-0.7304
135	V	A	0.0000
136	L	A	0.0000
137	S	A	0.0000
138	Q	A	-1.7096
139	D	A	-1.5437
140	F	A	-0.6060
141	L	A	0.5448
142	A	A	-0.1929
143	P	A	-0.3772
144	S	A	-0.6177
145	S	A	0.0000
146	N	A	-1.2752
147	I	A	-1.1003
148	S	A	-1.4413
149	E	A	-2.1529
150	F	A	-0.4962
151	L	A	0.0844
152	V	A	0.0000
153	P	A	-0.8054
154	K	A	-1.8798
155	G	A	-1.4160
156	H	A	-1.0466
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	-2.0983
166	K	A	-1.6119
167	S	A	0.0000
168	K	A	-0.7512
169	D	A	0.0000
170	S	A	0.0000
171	R	A	0.4131
172	W	A	1.2224
173	V	A	1.6699
174	E	A	-0.3701
175	V	A	0.0000
176	G	A	0.4118
177	F	A	0.6161
178	V	A	0.0000
179	P	A	-0.8699
180	E	A	-1.5490
181	E	A	-1.5496
182	N	A	0.0000
183	L	A	0.0000
184	V	A	0.0000
185	G	A	0.0000
186	R	A	-0.4590
187	A	A	0.0000
188	S	A	0.7124
189	Y	A	1.5945
190	T	A	0.0000
191	Q	A	0.8628
192	Y	A	0.8070
193	S	A	0.0000
194	I	A	0.0000
195	G	A	0.0000
196	G	A	-1.4004
197	D	A	-1.5805
198	T	A	-0.3709
199	P	A	0.1022
200	F	A	1.6204
201	S	A	0.4033
202	K	A	-0.0748
203	T	A	0.4009
204	W	A	0.8083
205	Q	A	-0.1463
206	W	A	0.1268
207	T	A	0.0543
208	P	A	-0.3936
209	N	A	-0.4700
210	M	A	-0.1198
211	R	A	-0.2852
212	W	A	0.4633
213	D	A	-1.1006
214	R	A	0.0642
215	L	A	1.1830
216	F	A	2.2111
217	K	A	1.1133
218	I	A	2.4489
219	L	A	1.4300