Project name: f9aa9b834dcb7c2

Chain sequence(s)	A: HAYYALSYCALILLRILLSLLLLLLFPRSRALVSRALVNLLVATLVMPWVVYLEVTGGVWNFSRICCDVFVTLDVMMCTASIWGGLFSLPLAFAVSCPLLFGFNTTGDPTVCSISNPDFVIYSSVVSFYLPFLLRGPSLLEIVCWLPFFLTHVLNTHCQTCHVSPELYSATTWLGYV
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                                          (00:01:05)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:06)

• Minimal score value: -2.1259
• Maximal score value: 3.7619
• Average score: 0.6355
• Total score value: 112.4826

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	H	A	0.0608
2	A	A	1.0578
3	Y	A	1.8671
4	Y	A	1.4257
5	A	A	0.0000
6	L	A	2.3054
7	S	A	1.5555
8	Y	A	0.0000
9	C	A	1.7150
10	A	A	1.5887
11	L	A	0.0000
12	I	A	2.2673
13	L	A	2.9999
14	L	A	3.2828
15	R	A	0.0000
16	I	A	3.0168
17	L	A	3.6815
18	L	A	3.7619
19	S	A	0.0000
20	L	A	3.5943
21	L	A	3.5800
22	L	A	3.0060
23	L	A	2.4123
24	L	A	3.1380
25	L	A	2.7037
26	F	A	1.5106
27	P	A	0.0881
28	R	A	-1.7230
29	S	A	-1.3280
30	R	A	-2.1259
31	A	A	-0.7015
32	L	A	-0.1930
33	V	A	-0.0472
34	S	A	0.0000
35	R	A	-0.5883
36	A	A	0.0000
37	L	A	0.6815
38	V	A	0.0000
39	N	A	0.5166
40	L	A	1.0286
41	L	A	0.6732
42	V	A	0.0000
43	A	A	0.0000
44	T	A	0.7244
45	L	A	0.8347
46	V	A	0.0000
47	M	A	0.0000
48	P	A	0.3702
49	W	A	0.6776
50	V	A	0.0000
51	V	A	1.0074
52	Y	A	1.0503
53	L	A	0.7835
54	E	A	0.9201
55	V	A	1.9571
56	T	A	0.6689
57	G	A	0.2283
58	G	A	0.4606
59	V	A	1.1379
60	W	A	0.0000
61	N	A	-0.5088
62	F	A	0.7882
63	S	A	0.0959
64	R	A	-0.2688
65	I	A	1.9205
66	C	A	1.3916
67	C	A	0.0000
68	D	A	1.5887
69	V	A	2.0896
70	F	A	0.0000
71	V	A	0.0000
72	T	A	0.0000
73	L	A	1.0407
74	D	A	0.3504
75	V	A	0.4109
76	M	A	0.7261
77	M	A	0.0000
78	C	A	0.1289
79	T	A	0.0000
80	A	A	0.0000
81	S	A	-0.0255
82	I	A	0.0000
83	W	A	0.3032
84	G	A	0.0000
85	G	A	0.0000
86	L	A	1.1658
87	F	A	2.1838
88	S	A	0.0000
89	L	A	1.4887
90	P	A	1.0826
91	L	A	1.3986
92	A	A	0.0000
93	F	A	1.4547
94	A	A	0.8352
95	V	A	0.0000
96	S	A	0.0000
97	C	A	1.5212
98	P	A	1.4253
99	L	A	0.0000
100	L	A	2.4908
101	F	A	2.5361
102	G	A	1.8214
103	F	A	2.1028
104	N	A	0.0000
105	T	A	-0.2423
106	T	A	-0.3433
107	G	A	-0.9002
108	D	A	-1.0794
109	P	A	-0.8828
110	T	A	-0.1656
111	V	A	0.4401
112	C	A	0.0000
113	S	A	-0.0210
114	I	A	0.3616
115	S	A	-0.3111
116	N	A	-0.5737
117	P	A	-1.0139
118	D	A	-1.3966
119	F	A	0.0000
120	V	A	0.0000
121	I	A	0.7723
122	Y	A	0.8995
123	S	A	0.0000
124	S	A	0.0000
125	V	A	2.0249
126	V	A	1.4387
127	S	A	0.0000
128	F	A	0.0000
129	Y	A	1.7347
130	L	A	1.9155
131	P	A	0.0000
132	F	A	0.0000
133	L	A	2.1131
134	L	A	1.6066
135	R	A	-0.5289
136	G	A	0.0088
137	P	A	0.7570
138	S	A	1.0048
139	L	A	2.7219
140	L	A	2.9898
141	E	A	1.8158
142	I	A	2.3728
143	V	A	2.3272
144	C	A	0.0000
145	W	A	1.7868
146	L	A	1.7407
147	P	A	1.2476
148	F	A	1.2494
149	F	A	0.0000
150	L	A	1.3173
151	T	A	0.0000
152	H	A	0.3576
153	V	A	0.3685
154	L	A	0.0790
155	N	A	-0.9714
156	T	A	-0.8268
157	H	A	-0.8493
158	C	A	-0.7119
159	Q	A	-1.4708
160	T	A	-0.8675
161	C	A	-0.7139
162	H	A	-1.2893
163	V	A	0.0000
164	S	A	-0.7224
165	P	A	-0.9614
166	E	A	-1.3427
167	L	A	0.2587
168	Y	A	0.2112
169	S	A	-0.1687
170	A	A	0.2275
171	T	A	0.0000
172	T	A	0.6054
173	W	A	1.1371
174	L	A	1.4835
175	G	A	0.0000
176	Y	A	0.0000
177	V	A	2.2903