Project name: e3442329b4f6225

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

• Minimal score value: -3.6018
• Maximal score value: 3.3684
• Average score: -1.193
• Total score value: -199.2303

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	-1.1799
2	K	A	-2.1607
3	I	A	-2.0752
4	K	A	-3.1975
5	G	A	-3.2641
6	S	A	-2.6058
7	R	A	-2.8010
8	H	A	-1.3545
9	W	A	1.0339
10	G	A	1.8452
11	F	A	3.3684
12	I	A	3.0126
13	L	A	2.7242
14	Y	A	1.2302
15	G	A	-0.9399
16	K	A	-2.6209
17	R	A	-2.6759
18	G	A	-2.0882
19	E	A	-2.6532
20	P	A	-2.5723
21	P	A	-1.5307
22	P	A	-1.2181
23	G	A	-1.2834
24	K	A	-2.3276
25	P	A	-1.9812
26	A	A	-2.2226
27	D	A	-2.9627
28	D	A	-3.3931
29	A	A	-2.2805
30	G	A	-1.7925
31	L	A	-0.6968
32	V	A	-1.2468
33	S	A	0.0000
34	R	A	-1.7374
35	H	A	0.0054
36	W	A	1.9501
37	G	A	0.0000
38	F	A	2.5319
39	I	A	1.8299
40	L	A	0.4602
41	Y	A	-0.7607
42	G	A	-2.2366
43	K	A	-3.6018
44	R	A	-3.3293
45	G	A	-2.7342
46	E	A	-2.6666
47	P	A	-1.9562
48	P	A	-1.3690
49	P	A	-1.2626
50	G	A	-1.4336
51	K	A	-2.2600
52	P	A	-1.9328
53	A	A	-2.3172
54	D	A	-2.9517
55	D	A	-2.6839
56	A	A	-2.0723
57	G	A	-1.7545
58	L	A	-1.6992
59	V	A	-1.0770
60	S	A	-1.9068
61	R	A	-2.1993
62	H	A	-0.6171
63	W	A	0.8307
64	G	A	0.0000
65	F	A	1.6172
66	I	A	1.5654
67	L	A	0.4755
68	Y	A	-0.5148
69	G	A	-1.5979
70	K	A	-2.1188
71	R	A	-2.3363
72	G	A	-1.6626
73	E	A	-2.7490
74	P	A	-2.4855
75	P	A	-1.6778
76	P	A	-1.3565
77	G	A	-1.5228
78	K	A	-2.8356
79	P	A	-2.2351
80	A	A	-2.3218
81	D	A	-2.9991
82	D	A	-3.5450
83	A	A	-2.4359
84	G	A	-1.9134
85	L	A	-1.3155
86	V	A	-1.3629
87	S	A	-1.8191
88	R	A	-2.2859
89	H	A	-0.6635
90	W	A	0.8966
91	G	A	0.0000
92	F	A	1.4528
93	I	A	1.2361
94	L	A	0.3420
95	Y	A	-0.4708
96	G	A	-1.4156
97	K	A	-2.0692
98	R	A	-1.7048
99	G	A	-1.2609
100	E	A	-2.1847
101	P	A	-2.0171
102	P	A	-1.3317
103	P	A	-1.3395
104	G	A	-1.5244
105	K	A	-2.4093
106	P	A	-1.9370
107	A	A	-2.2904
108	D	A	-2.9696
109	D	A	-2.7323
110	A	A	-1.7515
111	G	A	-1.5639
112	L	A	-1.4619
113	V	A	-0.3676
114	S	A	-1.4537
115	R	A	-1.6740
116	H	A	-0.0817
117	W	A	1.3814
118	G	A	0.0000
119	F	A	2.0992
120	I	A	1.6284
121	L	A	0.3438
122	Y	A	-0.8198
123	G	A	-1.4283
124	K	A	-2.4138
125	R	A	-2.2812
126	G	A	-1.6499
127	E	A	-2.6022
128	P	A	-2.4374
129	P	A	-1.6191
130	P	A	-1.3076
131	G	A	-1.4138
132	K	A	-2.5658
133	P	A	-2.0895
134	A	A	-2.2775
135	D	A	-3.0075
136	D	A	-3.2147
137	A	A	-2.1156
138	G	A	-0.9169
139	L	A	0.1970
140	V	A	0.6640
141	S	A	-0.6231
142	R	A	-1.7531
143	H	A	-1.0948
144	W	A	0.9058
145	G	A	1.6492
146	F	A	2.8819
147	I	A	2.5860
148	L	A	2.4503
149	Y	A	1.2989
150	G	A	-1.0285
151	K	A	-2.7417
152	R	A	-3.0957
153	G	A	-2.2491
154	E	A	-2.8524
155	P	A	-1.8778
156	P	A	-1.3333
157	P	A	-1.3942
158	G	A	-1.5956
159	K	A	-2.3790
160	P	A	-1.9340
161	A	A	-1.9649
162	D	A	-2.9716
163	D	A	-2.5959
164	A	A	-0.9968
165	G	A	-0.0313
166	L	A	1.9774
167	V	A	2.4228