Project name: 9dea3d3897dbad3

Chain sequence(s)	A: GQPRPSPGARAPVLQSFQEDQFQGHWFVLGLAGSTYSRVHRALLGPFTATFEQKEKKRLEVSYAMTRGRSCITWSYVLIPAAQPGKFSVDNSREPEADAEELQVHSTDYTTFALMVSRRQSRTRARSLLRVYLLCRMWAVETQALDRFACLLRAQGLTEDNVVFPGVKENVLKD
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                                          (00:01:45)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:46)

• Minimal score value: -4.04
• Maximal score value: 1.5081
• Average score: -1.0546
• Total score value: -183.4956

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
3	G	A	-1.2731
4	Q	A	-1.9242
5	P	A	-1.7404
6	R	A	-2.0153
7	P	A	0.0000
8	S	A	-0.8838
9	P	A	-1.1137
10	G	A	-1.2896
11	A	A	-1.3264
12	R	A	-2.1834
13	A	A	-1.0113
14	P	A	-0.5950
15	V	A	-0.1380
16	L	A	-0.4407
17	Q	A	-1.3145
18	S	A	-0.8715
19	F	A	-1.2187
20	Q	A	-2.1993
21	E	A	-2.9570
22	D	A	-3.5012
23	Q	A	-2.3321
24	F	A	0.0000
25	Q	A	-2.7229
26	G	A	-2.0045
27	H	A	-1.7001
28	W	A	0.0000
29	F	A	-0.1537
30	V	A	0.0000
31	L	A	0.0000
32	G	A	0.0000
33	L	A	0.1565
34	A	A	0.0000
35	G	A	0.0000
36	S	A	-0.5368
37	T	A	-0.1156
38	Y	A	-0.6084
39	S	A	-1.1668
40	R	A	-1.6942
41	V	A	0.0124
42	H	A	-1.2204
43	R	A	-1.8087
44	A	A	-0.5770
45	L	A	-0.2754
46	L	A	-0.3989
47	G	A	-0.5930
48	P	A	0.2682
49	F	A	0.0000
50	T	A	-0.1848
51	A	A	0.0000
52	T	A	-1.0536
53	F	A	0.0000
54	E	A	-3.6106
55	Q	A	-4.0400
56	K	A	-3.6204
57	E	A	-3.8657
58	K	A	-3.6572
59	K	A	-3.3126
60	R	A	-2.7309
61	L	A	0.0000
62	E	A	-1.8404
63	V	A	0.0000
64	S	A	-0.2927
65	Y	A	0.3862
66	A	A	0.4679
67	M	A	0.0000
68	T	A	-0.6346
69	R	A	-1.9075
70	G	A	-1.9894
71	R	A	-2.5644
72	S	A	-1.1993
73	C	A	0.2373
74	I	A	1.5081
75	T	A	1.0441
76	W	A	0.8100
77	S	A	0.0640
78	Y	A	0.3528
79	V	A	-0.7517
80	L	A	0.0000
81	I	A	-0.7704
82	P	A	-0.7773
83	A	A	-0.4375
84	A	A	-0.5129
85	Q	A	-1.2160
86	P	A	-0.9630
87	G	A	0.0000
88	K	A	-0.6077
89	F	A	0.0000
90	S	A	-0.6140
91	V	A	0.0000
92	D	A	-1.2294
93	N	A	-1.8931
94	S	A	-2.2329
95	R	A	-3.2018
96	E	A	-3.4529
97	P	A	-2.4639
98	E	A	-2.9327
99	A	A	-2.5510
100	D	A	-2.1211
101	A	A	-1.3695
102	E	A	0.0000
103	E	A	-1.1718
104	L	A	0.0000
105	Q	A	0.0000
106	V	A	0.0000
107	H	A	0.0000
108	S	A	-0.1732
109	T	A	-0.4713
110	D	A	-1.2264
111	Y	A	-0.9314
112	T	A	-0.6512
113	T	A	-0.8368
114	F	A	0.0000
115	A	A	0.0000
116	L	A	0.0000
117	M	A	0.0000
118	V	A	0.0000
119	S	A	0.0000
120	R	A	-1.3636
121	R	A	-1.7156
122	Q	A	-2.4435
123	S	A	-2.8134
124	R	A	-3.3941
125	T	A	-2.5453
126	R	A	-2.8816
127	A	A	-2.2277
128	R	A	-3.3662
129	S	A	-2.1264
130	L	A	-0.9855
131	L	A	-0.8009
132	R	A	-0.3717
133	V	A	0.0000
134	Y	A	0.0000
135	L	A	0.0000
136	L	A	0.0000
137	C	A	0.0000
138	R	A	-1.7987
139	M	A	-0.4110
140	W	A	0.2664
141	A	A	-0.0829
142	V	A	-0.7848
143	E	A	-2.2225
144	T	A	-2.0065
145	Q	A	-2.4833
146	A	A	-1.8704
147	L	A	-1.5771
148	D	A	-2.7045
149	R	A	-2.0981
150	F	A	0.0000
151	A	A	-1.6126
152	C	A	-1.5330
153	L	A	0.0000
154	L	A	0.0000
155	R	A	-2.3814
156	A	A	-1.6132
157	Q	A	0.0000
158	G	A	-1.4804
159	L	A	0.0000
160	T	A	-1.9598
161	E	A	-3.0571
162	D	A	-2.6862
163	N	A	0.0000
164	V	A	-1.1633
165	V	A	0.0000
166	F	A	0.5840
167	P	A	0.0889
168	G	A	-0.8552
169	V	A	-1.0124
170	K	A	-2.5392
171	E	A	-1.9875
172	N	A	-0.3005
173	V	A	1.0131
174	L	A	0.0633
175	K	A	-1.4475
176	D	A	-2.1436