Project name: fd01f2a29cf92a4

Chain sequence(s)	A: SKIKGSRHWGFIYLGKRGEPPPGKPADDAGLVSRHWGFIYLGKRGEPPPGKPADDAGLVSRHWGFIYLGKRGEPPPGKPADDAGLVSRHWGFIYLGKRGEPPPGKPADDAGLVSRHWGFIYLGKRGEPPPGKPADDAGLVSRHWGFIYLGKRGEPPPGKPADDAGLV
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                                          (00:03:11)
[INFO]       Main:     Simulation completed successfully.                                          (00:03:12)

• Minimal score value: -4.3549
• Maximal score value: 3.175
• Average score: -0.8675
• Total score value: -144.8675

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	-0.7262
2	K	A	-1.3828
3	I	A	0.2428
4	K	A	-1.3251
5	G	A	-0.9777
6	S	A	-1.2266
7	R	A	-1.8783
8	H	A	-1.8042
9	W	A	-0.6749
10	G	A	0.2148
11	F	A	1.7122
12	I	A	3.1750
13	Y	A	2.1941
14	L	A	1.7028
15	G	A	-1.1890
16	K	A	-3.2391
17	R	A	-3.9291
18	G	A	-2.5791
19	E	A	-2.6883
20	P	A	0.0000
21	P	A	-0.8150
22	P	A	-1.4115
23	G	A	-1.2762
24	K	A	-2.3774
25	P	A	0.0000
26	A	A	-1.2658
27	D	A	-2.2995
28	D	A	0.0000
29	A	A	-1.0498
30	G	A	-0.9899
31	L	A	0.0000
32	V	A	0.1029
33	S	A	-0.5302
34	R	A	0.0000
35	H	A	-1.2317
36	W	A	0.0000
37	G	A	0.1129
38	F	A	0.0000
39	I	A	2.3035
40	Y	A	0.0000
41	L	A	0.7155
42	G	A	-2.0937
43	K	A	-3.8573
44	R	A	-4.3549
45	G	A	0.0000
46	E	A	-2.9964
47	P	A	0.0000
48	P	A	0.0000
49	P	A	-1.6203
50	G	A	-1.7133
51	K	A	-2.9263
52	P	A	0.0000
53	A	A	-2.2636
54	D	A	-2.6546
55	D	A	0.0000
56	A	A	-0.8375
57	G	A	-0.4359
58	L	A	0.0000
59	V	A	1.0260
60	S	A	0.4089
61	R	A	0.0000
62	H	A	-0.7084
63	W	A	0.0000
64	G	A	-0.0794
65	F	A	0.0000
66	I	A	1.6346
67	Y	A	0.0000
68	L	A	0.3524
69	G	A	-2.2689
70	K	A	-3.7062
71	R	A	-3.5131
72	G	A	0.0000
73	E	A	-2.1297
74	P	A	0.0000
75	P	A	0.0000
76	P	A	-1.4541
77	G	A	-1.7248
78	K	A	-2.7395
79	P	A	-2.2013
80	A	A	0.0000
81	D	A	-2.9457
82	D	A	0.0000
83	A	A	-1.0330
84	G	A	-0.4566
85	L	A	0.0000
86	V	A	1.0002
87	S	A	0.3440
88	R	A	0.0000
89	H	A	-0.8179
90	W	A	-0.3176
91	G	A	0.0125
92	F	A	0.0000
93	I	A	1.5672
94	Y	A	0.0000
95	L	A	0.3500
96	G	A	-2.2861
97	K	A	-4.0760
98	R	A	-3.9329
99	G	A	0.0000
100	E	A	-1.7386
101	P	A	0.0000
102	P	A	0.0000
103	P	A	-1.2084
104	G	A	-1.8623
105	K	A	-2.7258
106	P	A	-2.0328
107	A	A	-2.1432
108	D	A	-2.7766
109	D	A	-1.5953
110	A	A	-1.0195
111	G	A	-0.7044
112	L	A	0.0000
113	V	A	1.1504
114	S	A	0.2283
115	R	A	-0.5294
116	H	A	-1.3182
117	W	A	0.0000
118	G	A	0.2143
119	F	A	0.0000
120	I	A	2.0977
121	Y	A	0.0000
122	L	A	0.6791
123	G	A	-2.1844
124	K	A	-3.9370
125	R	A	-4.0774
126	G	A	0.0000
127	E	A	-2.0361
128	P	A	-0.6663
129	P	A	-0.9282
130	P	A	-1.3822
131	G	A	-1.7320
132	K	A	-2.4360
133	P	A	0.0000
134	A	A	-2.0654
135	D	A	-2.3995
136	D	A	-1.5666
137	A	A	-0.8392
138	G	A	-0.3939
139	L	A	0.5752
140	V	A	1.7051
141	S	A	0.1195
142	R	A	-0.9545
143	H	A	-1.5699
144	W	A	-0.6841
145	G	A	0.3316
146	F	A	1.3959
147	I	A	2.3378
148	Y	A	1.2386
149	L	A	1.2631
150	G	A	-1.5814
151	K	A	-3.4068
152	R	A	-3.6186
153	G	A	-3.1783
154	E	A	-2.3514
155	P	A	-1.5914
156	P	A	-1.4291
157	P	A	-1.3709
158	G	A	-1.6193
159	K	A	-2.4410
160	P	A	-2.0890
161	A	A	-1.9860
162	D	A	-3.0476
163	D	A	-2.6087
164	A	A	-0.9906
165	G	A	0.0906
166	L	A	1.9668
167	V	A	2.3959