Project name: e20789343457b79

Chain sequence(s)	A: ALLLLDDADAALAAAALAALAAAGAALLAAAAADAAALAAALAAGADLLLLDLADLDALLAALAALAAAGAALLAAAAGDLALLLAALAAGADLLLLDAGDLAAALAALAALAAAGAALLALAAGDLAALLAALAAGADLLLLDAGDLADALAAAAALAAAGAALLALAAGDLDALLAGLAAGG
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                                          (00:00:09)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:10)

• Minimal score value: -3.1019
• Maximal score value: 0.6698
• Average score: -0.4153
• Total score value: -76.4184

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	A	A	0.2493
2	L	A	0.0000
3	L	A	0.0000
4	L	A	0.0000
5	L	A	0.0000
6	D	A	-3.1019
7	D	A	-2.8222
8	A	A	-1.7632
9	D	A	-1.8805
10	A	A	-0.6610
11	A	A	-0.2317
12	L	A	-0.0426
13	A	A	0.0000
14	A	A	0.0832
15	A	A	0.3243
16	A	A	0.0000
17	L	A	0.0000
18	A	A	0.0980
19	A	A	0.1243
20	L	A	0.0000
21	A	A	-0.0026
22	A	A	-0.0172
23	A	A	-0.0388
24	G	A	-0.3138
25	A	A	0.0378
26	A	A	0.0447
27	L	A	0.1232
28	L	A	0.0000
29	A	A	0.0000
30	A	A	0.0000
31	A	A	0.0000
32	A	A	-1.6418
33	A	A	-1.3730
34	D	A	-1.2521
35	A	A	-0.5863
36	A	A	-0.2072
37	A	A	-0.5841
38	L	A	0.0000
39	A	A	-0.0187
40	A	A	0.1457
41	A	A	0.0000
42	L	A	-0.0481
43	A	A	-0.0367
44	A	A	-0.0916
45	G	A	-0.4135
46	A	A	0.0000
47	D	A	-0.7153
48	L	A	0.0000
49	L	A	0.0000
50	L	A	0.0000
51	L	A	0.0000
52	D	A	-2.4895
53	L	A	-1.4076
54	A	A	-1.4161
55	D	A	-1.9984
56	L	A	-0.7313
57	D	A	-1.7075
58	A	A	-1.1038
59	L	A	0.0000
60	L	A	-0.0566
61	A	A	-0.0011
62	A	A	0.0000
63	L	A	0.0000
64	A	A	0.2291
65	A	A	0.1716
66	L	A	0.0000
67	A	A	-0.0073
68	A	A	-0.0051
69	A	A	-0.0402
70	G	A	-0.2734
71	A	A	-0.1142
72	A	A	-0.1216
73	L	A	-0.1061
74	L	A	0.0000
75	A	A	0.0000
76	A	A	0.0000
77	A	A	0.0000
78	A	A	0.0000
79	G	A	-2.0908
80	D	A	-1.4327
81	L	A	-0.1975
82	A	A	0.2278
83	L	A	-0.0853
84	L	A	0.0000
85	L	A	0.6698
86	A	A	0.5453
87	A	A	0.0000
88	L	A	0.1558
89	A	A	0.1577
90	A	A	0.0565
91	G	A	-0.3706
92	A	A	0.0000
93	D	A	-0.6098
94	L	A	0.0000
95	L	A	0.0000
96	L	A	0.0000
97	L	A	0.0000
98	D	A	-2.8274
99	A	A	-1.8617
100	G	A	-1.7799
101	D	A	-1.9781
102	L	A	-0.6935
103	A	A	-0.1097
104	A	A	-0.3715
105	A	A	0.0000
106	L	A	0.3794
107	A	A	0.4582
108	A	A	0.0000
109	L	A	0.0000
110	A	A	0.1278
111	A	A	0.2621
112	L	A	0.0000
113	A	A	0.0016
114	A	A	-0.0172
115	A	A	0.0453
116	G	A	-0.1989
117	A	A	-0.0413
118	A	A	-0.0766
119	L	A	-0.0106
120	L	A	0.0000
121	A	A	0.0000
122	L	A	0.0000
123	A	A	0.0000
124	A	A	0.0000
125	G	A	-2.3687
126	D	A	-1.8331
127	L	A	-0.6600
128	A	A	-0.0142
129	A	A	0.0000
130	L	A	0.0000
131	L	A	0.5582
132	A	A	0.5941
133	A	A	0.0000
134	L	A	0.1447
135	A	A	0.1159
136	A	A	0.0204
137	G	A	-0.3980
138	A	A	0.0000
139	D	A	-0.7983
140	L	A	0.0000
141	L	A	0.0000
142	L	A	0.0000
143	L	A	0.0000
144	D	A	-2.9177
145	A	A	-2.4186
146	G	A	-2.4225
147	D	A	-2.9279
148	L	A	-1.7263
149	A	A	-1.0889
150	D	A	-2.3135
151	A	A	0.0000
152	L	A	-0.0977
153	A	A	-0.1282
154	A	A	0.0000
155	A	A	0.1612
156	A	A	0.0659
157	A	A	0.2928
158	L	A	0.0000
159	A	A	0.0380
160	A	A	-0.0132
161	A	A	0.0497
162	G	A	-0.2301
163	A	A	-0.0983
164	A	A	-0.0530
165	L	A	0.1647
166	L	A	0.0000
167	A	A	0.0000
168	L	A	0.0000
169	A	A	-1.8097
170	A	A	-2.2652
171	G	A	-2.6996
172	D	A	-3.0666
173	L	A	-1.7806
174	D	A	-2.1369
175	A	A	-1.4489
176	L	A	0.0000
177	L	A	-0.3506
178	A	A	-0.2361
179	G	A	-0.0105
180	L	A	0.1463
181	A	A	0.0683
182	A	A	-0.1250
183	G	A	-0.4003
184	G	A	-0.5421