Project name: 4ca40064181e33d

Chain sequence(s)	A: LKPEVVEELTRKTYFTEKEVQQWYKGFIKDCPSGQLDAAGFQKIYKQFFPFGDPTKFATFVFNVFDENKDGRIEFSEFIQALSVTSRGTLDEKLRWAFKLYDLDNDGYITRNEMLDIVDAIYQMVGLPEEENTPEKRVDRIFAMMDKNADGKLTLQEFQEGSKADPSIVQALS
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                                          (00:03:12)
[INFO]       Main:     Simulation completed successfully.                                          (00:03:13)

• Minimal score value: -4.1933
• Maximal score value: 1.6124
• Average score: -1.2875
• Total score value: -222.7387

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
8	L	A	-0.4353
9	K	A	-1.9918
10	P	A	-2.2006
11	E	A	-2.7467
12	V	A	-1.6169
13	V	A	-2.4513
14	E	A	-3.5561
15	E	A	-3.5673
16	L	A	0.0000
17	T	A	-3.0747
18	R	A	-3.4288
19	K	A	-2.9456
20	T	A	-1.3776
21	Y	A	-0.1350
22	F	A	0.0000
23	T	A	-2.0432
24	E	A	-3.6786
25	K	A	-3.2258
26	E	A	-2.2921
27	V	A	0.0000
28	Q	A	-2.3073
29	Q	A	-2.4735
30	W	A	-0.9273
31	Y	A	-0.9782
32	K	A	-1.9829
33	G	A	-1.6684
34	F	A	0.0000
35	I	A	-1.2425
36	K	A	-2.6097
37	D	A	-2.6333
38	C	A	-1.8365
39	P	A	-1.3266
40	S	A	-1.1073
41	G	A	-1.3747
42	Q	A	-1.8074
43	L	A	-1.5993
44	D	A	-1.8023
45	A	A	-0.9955
46	A	A	-0.5250
47	G	A	-0.9276
48	F	A	0.0000
49	Q	A	-1.2020
50	K	A	-1.1928
51	I	A	-0.0562
52	Y	A	-0.2530
53	K	A	-0.9857
54	Q	A	-0.4454
55	F	A	1.6124
56	F	A	0.9618
57	P	A	0.3440
58	F	A	1.4175
59	G	A	-0.2396
60	D	A	-1.6079
61	P	A	0.0000
62	T	A	-1.0060
63	K	A	-0.9516
64	F	A	-0.4546
65	A	A	0.0000
66	T	A	-0.2215
67	F	A	0.0154
68	V	A	0.0000
69	F	A	0.0000
70	N	A	-1.8663
71	V	A	0.0000
72	F	A	-1.2630
73	D	A	0.0000
74	E	A	-3.6774
75	N	A	-3.9327
76	K	A	-4.1933
77	D	A	-3.9807
78	G	A	-3.0988
79	R	A	-3.4925
80	I	A	0.0000
81	E	A	-2.3597
82	F	A	0.0000
83	S	A	-0.7678
84	E	A	-1.1979
85	F	A	-0.2480
86	I	A	0.0000
87	Q	A	-0.4896
88	A	A	0.0000
89	L	A	0.2357
90	S	A	0.0000
91	V	A	-0.3762
92	T	A	-0.2861
93	S	A	-0.5059
94	R	A	-0.8855
95	G	A	-0.7908
96	T	A	-0.8685
97	L	A	-0.7016
98	D	A	-1.9947
99	E	A	-1.7467
100	K	A	-1.3857
101	L	A	0.0000
102	R	A	-2.5284
103	W	A	-1.3273
104	A	A	-0.9959
105	F	A	0.0000
106	K	A	-1.9143
107	L	A	0.0000
108	Y	A	-0.4674
109	D	A	0.0000
110	L	A	-1.2535
111	D	A	-2.5807
112	N	A	-2.7749
113	D	A	-2.5221
114	G	A	-1.3968
115	Y	A	-0.7956
116	I	A	0.0000
117	T	A	-2.0582
118	R	A	-3.3261
119	N	A	-2.5776
120	E	A	-1.6858
121	M	A	0.0000
122	L	A	-2.0231
123	D	A	-1.6272
124	I	A	0.0000
125	V	A	0.0000
126	D	A	-1.1540
127	A	A	0.0000
128	I	A	-0.0816
129	Y	A	-0.3311
130	Q	A	-0.8818
131	M	A	0.0000
132	V	A	0.5617
133	G	A	0.0665
138	L	A	0.3066
139	P	A	-1.2422
140	E	A	-2.8619
141	E	A	-3.4621
142	E	A	-3.1810
143	N	A	-2.1070
144	T	A	-1.9454
145	P	A	-2.2643
146	E	A	-3.7494
147	K	A	-3.9174
148	R	A	-3.3759
149	V	A	0.0000
150	D	A	-3.8091
151	R	A	-3.4797
152	I	A	-1.7976
153	F	A	0.0000
154	A	A	-1.2466
155	M	A	-0.9171
156	M	A	0.0000
157	D	A	-2.2297
158	K	A	-2.7473
159	N	A	-2.7935
160	A	A	-2.1729
161	D	A	-2.9127
162	G	A	-2.3084
163	K	A	-2.1814
164	L	A	0.0000
165	T	A	-0.8558
166	L	A	-1.1123
167	Q	A	-1.9963
168	E	A	-1.9634
169	F	A	0.0000
170	Q	A	-2.2253
171	E	A	-2.6803
172	G	A	0.0000
173	S	A	0.0000
174	K	A	-1.7384
175	A	A	-1.0037
176	D	A	-0.9726
177	P	A	-0.6945
178	S	A	-0.5802
179	I	A	-0.0742
180	V	A	-0.1954
181	Q	A	-1.0170
182	A	A	-0.1579
183	L	A	-0.0279
184	S	A	-0.3407