Project name: 3a0160fc5d75594

Chain sequence(s)	A: ARLQIQLPSSSDDFKFQVWRKMFRALMPVTEELTFDPSSAHPSLVVSPSGRRVECSEQKAPPAGDDPRQFDKAVAVVAKQQLSEGEHYWEVEVGDKPRWALGVIAADASRRGKLHAVPSQGLWLLGLRDGKILEAHVEAKEPRVLRTPERRPTRIGIYLSFADGVLTFYDASDPDALVPLFTFHERLPGPVYPFFDVCWHDKGKNSQPLLLVGP
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                                          (00:03:54)
[INFO]       Main:     Simulation completed successfully.                                          (00:03:56)

• Minimal score value: -3.3571
• Maximal score value: 1.9211
• Average score: -0.8718
• Total score value: -186.5752

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	A	A	-0.5696
2	R	A	-1.1320
3	L	A	0.5137
4	Q	A	-0.0839
5	I	A	1.4396
6	Q	A	0.2845
7	L	A	1.1628
8	P	A	0.4607
9	S	A	-0.1600
10	S	A	-0.4043
11	S	A	-1.0294
12	D	A	-1.9422
13	D	A	-0.9279
14	F	A	0.5827
15	K	A	-0.4512
16	F	A	0.2189
17	Q	A	-0.6996
18	V	A	0.2262
19	W	A	0.4481
20	R	A	-1.5053
21	K	A	-1.4622
22	M	A	0.5016
23	F	A	0.7249
24	R	A	0.1430
25	A	A	0.7960
26	L	A	1.9211
27	M	A	1.1040
28	P	A	0.7045
29	V	A	1.3193
30	T	A	0.2352
31	E	A	-1.0152
32	E	A	-1.9246
33	L	A	0.0000
34	T	A	-1.6467
35	F	A	0.0000
36	D	A	-1.2826
37	P	A	-0.4865
38	S	A	-1.0752
39	S	A	0.0000
40	A	A	0.0000
41	H	A	0.0000
42	P	A	-0.4888
43	S	A	0.0000
44	L	A	0.0000
45	V	A	0.9032
46	V	A	-0.1985
47	S	A	-0.6674
48	P	A	-0.6165
49	S	A	-0.9695
50	G	A	0.0000
51	R	A	-2.0016
52	R	A	-1.9847
53	V	A	0.0000
54	E	A	-0.8675
55	C	A	0.0000
56	S	A	-1.6514
57	E	A	-3.3571
58	Q	A	-2.9911
59	K	A	-2.8313
60	A	A	-1.6402
61	P	A	-0.9750
62	P	A	-0.8865
63	A	A	-1.1773
64	G	A	-1.7553
65	D	A	-2.6820
66	D	A	-2.4481
67	P	A	-2.2473
68	R	A	-2.9162
69	Q	A	-2.2070
70	F	A	0.0000
71	D	A	-2.1521
72	K	A	-2.3427
73	A	A	-1.3150
74	V	A	0.0000
75	A	A	0.0000
76	V	A	0.0000
77	V	A	0.0000
78	A	A	0.0000
79	K	A	-2.1945
80	Q	A	-1.9626
81	Q	A	-1.6867
82	L	A	0.0000
83	S	A	-1.6968
84	E	A	-2.5736
85	G	A	-2.2708
86	E	A	-2.4084
87	H	A	-1.0750
88	Y	A	0.0000
89	W	A	0.0000
90	E	A	0.0000
91	V	A	0.0000
92	E	A	-1.1785
93	V	A	0.0000
94	G	A	-1.5494
95	D	A	-2.3442
96	K	A	0.0000
97	P	A	-2.4400
98	R	A	-2.0936
99	W	A	0.0000
100	A	A	-0.3567
101	L	A	0.0000
102	G	A	0.0000
103	V	A	0.0000
104	I	A	0.0000
105	A	A	-0.9408
106	A	A	-1.3067
107	D	A	-2.1969
108	A	A	-1.4972
109	S	A	-1.5534
110	R	A	0.0000
111	R	A	-2.1554
112	G	A	-1.9769
113	K	A	-2.5550
114	L	A	-1.7746
115	H	A	-1.8260
116	A	A	-1.5810
117	V	A	0.0000
118	P	A	-1.2654
119	S	A	-1.3326
120	Q	A	-1.9398
121	G	A	0.0000
122	L	A	0.0000
123	W	A	0.0000
124	L	A	0.0000
125	L	A	0.0000
126	G	A	0.0000
127	L	A	0.0000
128	R	A	-2.5613
129	D	A	-2.9487
130	G	A	0.0000
131	K	A	-3.2368
132	I	A	-1.4233
133	L	A	0.0000
134	E	A	0.0000
135	A	A	0.0000
136	H	A	-1.4373
137	V	A	-1.8419
138	E	A	-2.8067
139	A	A	-2.6151
140	K	A	-3.3014
141	E	A	-3.1745
142	P	A	-2.0801
143	R	A	-2.0249
144	V	A	0.3291
145	L	A	-0.2188
146	R	A	-1.8656
147	T	A	-1.7673
148	P	A	-2.0435
149	E	A	-3.0021
150	R	A	-2.6924
151	R	A	-2.7546
152	P	A	0.0000
153	T	A	-1.5128
154	R	A	-1.1511
155	I	A	0.0000
156	G	A	0.0000
157	I	A	0.0000
158	Y	A	-0.1829
159	L	A	0.0000
160	S	A	0.0000
161	F	A	0.0000
162	A	A	-1.8027
163	D	A	-2.5556
164	G	A	0.0000
165	V	A	-1.4441
166	L	A	0.0000
167	T	A	0.0000
168	F	A	0.0000
169	Y	A	0.0000
170	D	A	0.0000
171	A	A	0.0000
172	S	A	-1.2081
173	D	A	-1.7824
174	P	A	-1.9307
175	D	A	-2.3132
176	A	A	-1.3963
177	L	A	0.0000
178	V	A	1.2252
179	P	A	0.7326
180	L	A	0.3759
181	F	A	0.1896
182	T	A	-0.1740
183	F	A	0.0000
184	H	A	-1.9064
185	E	A	-2.3772
186	R	A	-2.7734
187	L	A	0.0000
188	P	A	-1.1294
189	G	A	-1.2221
190	P	A	-1.1285
191	V	A	0.0000
192	Y	A	-0.7243
193	P	A	0.0000
194	F	A	0.0000
195	F	A	0.0000
196	D	A	-0.1972
197	V	A	0.0000
198	C	A	-0.1610
199	W	A	-0.6147
200	H	A	-1.8446
201	D	A	-2.2707
202	K	A	-2.9392
203	G	A	-2.4988
204	K	A	-2.6148
205	N	A	0.0000
206	S	A	-1.6756
207	Q	A	-1.3139
208	P	A	-1.0473
209	L	A	0.0000
210	L	A	-0.9682
211	L	A	0.0000
212	V	A	-0.5196
213	G	A	-0.6857
214	P	A	-0.3538