Project name: 357e6cf06d7f38b

Chain sequence(s)	A: SKIKGSRHWVGFILYKRGEPPPGKPADDAGLVSRHWVGFILYKRGEPPPGKPADDAGLVSRHWVGFILYKRGEPPPGKPADDAGLVSRHWVGFILYKRGEPPPGKPADDAGLVSRHWVGFILYKRGEPPPGKPADDAGLVSRHWVGFILYKRGEPPPGKPADDAGLV
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                                          (00:04:31)
[INFO]       Main:     Simulation completed successfully.                                          (00:04:33)

• Minimal score value: -3.2243
• Maximal score value: 3.2268
• Average score: -0.4518
• Total score value: -75.4505

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	S	A	-0.8819
2	K	A	-1.6318
3	I	A	-0.3387
4	K	A	-1.8338
5	G	A	-1.4696
6	S	A	-1.5791
7	R	A	-2.3789
8	H	A	-1.1654
9	W	A	1.2633
10	V	A	2.6678
11	G	A	2.2543
12	F	A	3.2268
13	I	A	0.0000
14	L	A	1.9140
15	Y	A	0.3105
16	K	A	-1.7836
17	R	A	-2.0739
18	G	A	-2.4553
19	E	A	-3.1665
20	P	A	-2.1992
21	P	A	-1.6439
22	P	A	-1.3592
23	G	A	-1.4945
24	K	A	-2.6848
25	P	A	-2.1278
26	A	A	0.0000
27	D	A	-2.7054
28	D	A	0.0000
29	A	A	-0.7943
30	G	A	-0.6355
31	L	A	0.0362
32	V	A	0.0000
33	S	A	-0.8625
34	R	A	-1.3332
35	H	A	-0.7886
36	W	A	0.0000
37	V	A	1.8542
38	G	A	1.9106
39	F	A	2.5251
40	I	A	0.0000
41	L	A	1.2174
42	Y	A	0.0000
43	K	A	-1.3887
44	R	A	0.0000
45	G	A	-2.3026
46	E	A	-2.6828
47	P	A	-2.0599
48	P	A	-1.3826
49	P	A	-1.2135
50	G	A	-1.1900
51	K	A	-1.1968
52	P	A	-1.1063
53	A	A	0.0000
54	D	A	-0.8152
55	D	A	0.0000
56	A	A	-0.2134
57	G	A	0.2997
58	L	A	1.0511
59	V	A	0.0000
60	S	A	-0.0895
61	R	A	0.0000
62	H	A	-0.5608
63	W	A	0.0000
64	V	A	1.1967
65	G	A	1.2102
66	F	A	1.9090
67	I	A	0.0000
68	L	A	0.6814
69	Y	A	0.0000
70	K	A	-1.2313
71	R	A	0.0000
72	G	A	-1.6586
73	E	A	-1.8955
74	P	A	0.0000
75	P	A	-1.4202
76	P	A	-1.2894
77	G	A	-1.5126
78	K	A	-1.8547
79	P	A	-1.2390
80	A	A	0.0000
81	D	A	-0.5478
82	D	A	0.0000
83	A	A	0.1030
84	G	A	0.4370
85	L	A	1.2426
86	V	A	0.0000
87	S	A	0.0412
88	R	A	0.0000
89	H	A	-0.4673
90	W	A	0.0000
91	V	A	1.1858
92	G	A	1.0600
93	F	A	1.9546
94	I	A	0.0000
95	L	A	0.4686
96	Y	A	0.0000
97	K	A	-1.6202
98	R	A	0.0000
99	G	A	-1.5709
100	E	A	-1.7004
101	P	A	-1.5026
102	P	A	-1.2746
103	P	A	-1.3062
104	G	A	-1.6767
105	K	A	-2.0549
106	P	A	-1.8766
107	A	A	0.0000
108	D	A	-1.1590
109	D	A	0.0000
110	A	A	0.2283
111	G	A	0.6876
112	L	A	1.5490
113	V	A	0.0000
114	S	A	0.1447
115	R	A	0.0000
116	H	A	-0.4294
117	W	A	0.0000
118	V	A	1.5484
119	G	A	1.6454
120	F	A	2.4336
121	I	A	0.0000
122	L	A	0.9811
123	Y	A	0.0000
124	K	A	-1.7059
125	R	A	-1.7825
126	G	A	-1.9067
127	E	A	-1.8740
128	P	A	-1.7912
129	P	A	-1.2757
130	P	A	-1.1069
131	G	A	-1.6128
132	K	A	-2.3086
133	P	A	-2.1934
134	A	A	-1.9968
135	D	A	-2.6458
136	D	A	-1.1560
137	A	A	-0.4065
138	G	A	0.4246
139	L	A	1.7596
140	V	A	0.8089
141	S	A	0.4684
142	R	A	-0.0290
143	H	A	-0.0007
144	W	A	1.3112
145	V	A	1.9191
146	G	A	1.6467
147	F	A	3.0766
148	I	A	2.5072
149	L	A	1.6205
150	Y	A	0.4220
151	K	A	-1.6843
152	R	A	-2.1293
153	G	A	-2.1387
154	E	A	-2.4468
155	P	A	-2.0888
156	P	A	-1.6037
157	P	A	-1.3202
158	G	A	-1.4765
159	K	A	-2.5865
160	P	A	-1.9724
161	A	A	-2.2770
162	D	A	-3.2243
163	D	A	-2.5435
164	A	A	-0.7518
165	G	A	0.0816
166	L	A	1.8354
167	V	A	2.3422