Project name: c8b63e62b521ad5

Chain sequence(s)	A: MVEQFDKVLNNNSKPVGFLLSERFINVPAQIALPMHQQLQKELADTQRTNKPCGKCYYYLILSKTFVEAAKTSKGRVGSQAKEELMFANAEDEFFYEKALLKFSYSVQEESDTQLGGRWSFSDVPMAPLRTVMLVPADRMNSIMDKFKEYLSV
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                                          (00:04:39)
[INFO]       Main:     Simulation completed successfully.                                          (00:04:40)

• Minimal score value: -3.9029
• Maximal score value: 2.5792
• Average score: -0.9491
• Total score value: -145.2186

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	M	A	0.5554
2	V	A	0.4809
3	E	A	-1.8729
4	Q	A	-1.4145
5	F	A	-1.1131
6	D	A	-2.7245
7	K	A	-3.1628
8	V	A	0.0000
9	L	A	-1.2146
10	N	A	-2.4155
11	N	A	-2.3170
12	N	A	-2.1407
13	S	A	-1.4246
14	K	A	-1.1229
15	P	A	-0.4971
16	V	A	0.6766
17	G	A	1.4449
18	F	A	2.5792
19	L	A	0.0000
20	L	A	1.6432
21	S	A	0.0678
22	E	A	-1.0701
23	R	A	0.1931
24	F	A	2.0763
25	I	A	2.1208
26	N	A	0.4302
27	V	A	0.9086
28	P	A	0.1776
29	A	A	0.1016
30	Q	A	0.0525
31	I	A	0.5345
32	A	A	0.0000
33	L	A	-0.6123
34	P	A	-0.4336
35	M	A	0.2765
36	H	A	0.0000
37	Q	A	-2.1301
38	Q	A	-2.4289
39	L	A	-1.8935
40	Q	A	-2.8420
41	K	A	-3.8616
42	E	A	-3.8914
43	L	A	-2.8913
44	A	A	-2.9546
45	D	A	-3.7969
46	T	A	-3.4101
47	Q	A	-3.7754
48	R	A	-3.7295
49	T	A	-2.6378
50	N	A	-3.1989
51	K	A	-2.7264
52	P	A	-1.3571
53	C	A	-0.6898
54	G	A	-2.2862
55	K	A	-1.7272
56	C	A	0.0758
57	Y	A	0.2942
58	Y	A	0.6827
59	Y	A	0.0000
60	L	A	1.3681
61	I	A	0.0000
62	L	A	0.4376
63	S	A	0.0000
64	K	A	-1.0898
65	T	A	0.0000
66	F	A	0.0000
67	V	A	-1.5599
68	E	A	-2.4578
69	A	A	-1.4021
70	A	A	-1.4917
71	K	A	-2.2599
72	T	A	-1.7193
73	S	A	-1.9711
74	K	A	-2.4886
75	G	A	-1.8737
76	R	A	-1.8072
77	V	A	0.0956
78	G	A	-0.5635
79	S	A	-1.1597
80	Q	A	-1.9681
81	A	A	-2.3043
82	K	A	-3.4092
83	E	A	-3.9029
84	E	A	-3.2001
85	L	A	-1.4435
86	M	A	-0.6343
87	F	A	0.0000
88	A	A	0.0562
89	N	A	-0.1891
90	A	A	-0.4624
91	E	A	0.0000
92	D	A	0.0000
93	E	A	-1.6092
94	F	A	-1.4272
95	F	A	0.0000
96	Y	A	-1.1861
97	E	A	-2.2258
98	K	A	-1.5707
99	A	A	-0.5242
100	L	A	0.5604
101	L	A	0.4658
102	K	A	-0.3079
103	F	A	0.4101
104	S	A	0.2772
105	Y	A	0.6449
106	S	A	-0.6855
107	V	A	0.0000
108	Q	A	-3.0810
109	E	A	-3.6271
110	E	A	-3.4992
111	S	A	-2.8002
112	D	A	-2.8155
113	T	A	-1.6570
114	Q	A	-0.8682
115	L	A	0.2885
116	G	A	-0.4270
117	G	A	-0.7919
118	R	A	-1.1232
119	W	A	0.7054
120	S	A	0.8943
121	F	A	1.9777
122	S	A	0.7976
123	D	A	0.0000
124	V	A	-0.2744
125	P	A	-0.3042
126	M	A	0.0000
127	A	A	-1.1202
128	P	A	0.0000
129	L	A	-0.1964
130	R	A	-0.3765
131	T	A	0.0000
132	V	A	0.0000
133	M	A	0.0000
134	L	A	0.0000
135	V	A	0.0000
136	P	A	0.0000
137	A	A	-0.9885
138	D	A	-2.2579
139	R	A	-2.0235
140	M	A	0.0000
141	N	A	-2.5568
142	S	A	-2.1807
143	I	A	0.0000
144	M	A	-2.2351
145	D	A	-3.1602
146	K	A	-2.4583
147	F	A	0.0000
148	K	A	-2.6228
149	E	A	-2.3545
150	Y	A	-0.2271
151	L	A	-0.2593
152	S	A	0.0003
153	V	A	1.3757