Project name: 19a1224b6ed5c9f

Chain sequence(s)	A: GKITLYEDRGFQGRHYECSSDHPNLQPYLSRCNSARVDSGCWMLYEQPNYSGLQYFLRRGDYADHQQWMGLSDSVRSCRLIPHSGSHRIRLYEREDYRGQMIEFTEDCSCLQDRFRFNEIHSLDVLEGSWVLYELSNYRGRQYLLMPGDYRRYQDWGATNARVGSLRRVIDFS
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                                          (00:01:49)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:50)

• Minimal score value: -3.8332
• Maximal score value: 1.4466
• Average score: -1.15
• Total score value: -198.9491

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	G	A	-1.5882
2	K	A	-2.2254
3	I	A	0.0000
4	T	A	-1.7751
5	L	A	0.0000
6	Y	A	-2.2412
7	E	A	-2.3158
8	D	A	-3.0488
9	R	A	-2.8667
10	G	A	-1.7894
11	F	A	-2.0452
12	Q	A	-2.7189
13	G	A	-2.6943
14	R	A	-2.8014
15	H	A	-2.2993
16	Y	A	-1.1847
17	E	A	-1.8377
18	C	A	0.0000
19	S	A	-1.2585
20	S	A	-1.1609
21	D	A	-1.3552
22	H	A	-1.4201
23	P	A	-1.7069
24	N	A	-1.8145
25	L	A	0.0000
26	Q	A	-1.0047
27	P	A	-0.3295
28	Y	A	-0.3606
29	L	A	0.0000
30	S	A	-0.8034
31	R	A	-1.4289
32	C	A	0.0000
33	N	A	0.0000
34	S	A	0.0000
35	A	A	0.0000
36	R	A	-2.8125
37	V	A	0.0000
38	D	A	-3.1916
39	S	A	-1.7855
40	G	A	-0.9989
41	C	A	0.0000
42	W	A	0.0000
43	M	A	0.0000
44	L	A	0.0000
45	Y	A	0.0000
46	E	A	-1.4241
47	Q	A	-1.7012
48	P	A	-1.7293
49	N	A	-1.8419
50	Y	A	-1.1410
51	S	A	-1.0160
52	G	A	-0.9395
53	L	A	-0.5172
54	Q	A	-0.2124
55	Y	A	0.0000
56	F	A	0.0602
57	L	A	0.0000
58	R	A	-1.2634
59	R	A	-2.2794
60	G	A	-2.3222
61	D	A	-2.9450
62	Y	A	-1.9698
63	A	A	-1.8256
64	D	A	-2.1047
65	H	A	0.0000
66	Q	A	-2.1393
67	Q	A	-1.8608
68	W	A	0.0000
69	M	A	-0.8652
70	G	A	-0.9770
71	L	A	-0.2720
72	S	A	-0.9091
73	D	A	-2.0489
74	S	A	-1.6261
75	V	A	0.0000
76	R	A	-1.5156
77	S	A	0.0000
78	C	A	0.0000
79	R	A	-0.6989
80	L	A	-0.5344
81	I	A	0.0000
82	P	A	-0.6093
83	H	A	-0.6750
84	S	A	-0.7847
85	G	A	-0.8763
86	S	A	-1.1783
87	H	A	0.0000
88	R	A	-2.5173
89	I	A	0.0000
90	R	A	-1.0015
91	L	A	0.0000
92	Y	A	-1.6895
93	E	A	-2.2326
94	R	A	-3.8332
95	E	A	-3.5228
96	D	A	-2.8527
97	Y	A	-2.3889
98	R	A	-3.2904
99	G	A	-2.2758
100	Q	A	-1.3764
101	M	A	-0.4629
102	I	A	-0.5414
103	E	A	-1.9153
104	F	A	-1.7390
105	T	A	-2.2712
106	E	A	-2.9081
107	D	A	-2.2432
108	C	A	0.0000
109	S	A	-1.4327
110	C	A	-1.0932
111	L	A	0.0000
112	Q	A	-2.1171
113	D	A	-2.9461
114	R	A	-2.6057
115	F	A	-1.8846
116	R	A	-2.4476
117	F	A	-1.2311
118	N	A	-1.1080
119	E	A	-1.8973
120	I	A	0.0000
121	H	A	-2.6645
122	S	A	0.0000
123	L	A	0.0000
124	D	A	-1.5279
125	V	A	0.0000
126	L	A	-0.9781
127	E	A	-1.5347
128	G	A	-1.1259
129	S	A	0.0000
130	W	A	0.0000
131	V	A	0.0000
132	L	A	0.0000
133	Y	A	0.0000
134	E	A	-0.9320
135	L	A	0.1103
136	S	A	-0.7687
137	N	A	-1.5021
138	Y	A	-1.0493
139	R	A	-1.5506
140	G	A	-0.7318
141	R	A	-0.5895
142	Q	A	0.0000
143	Y	A	0.0000
144	L	A	0.0000
145	L	A	0.0000
146	M	A	-0.2469
147	P	A	-0.9722
148	G	A	-1.2370
149	D	A	-2.1373
150	Y	A	-2.2505
151	R	A	-3.2701
152	R	A	-2.8948
153	Y	A	-2.0794
154	Q	A	-2.6233
155	D	A	-2.7624
156	W	A	0.0000
157	G	A	-1.7507
158	A	A	0.0000
159	T	A	-1.3753
160	N	A	-2.0632
161	A	A	0.0000
162	R	A	-1.7748
163	V	A	0.0000
164	G	A	0.0000
165	S	A	0.0000
166	L	A	0.0000
167	R	A	-1.4222
168	R	A	-1.4651
169	V	A	0.0000
170	I	A	0.0456
171	D	A	0.1477
172	F	A	1.4466
173	S	A	0.0138