Project name: ref1

Chain sequence(s)	A: MAEDEDNQQGQGEGLKYLGFVQDAATYAVTTFSNVYLFAKDKSGPLQPGVDIIEGPVKNVAVPLYNRFSYIPNGALKFVDSTVVASVTIIDRSLPPIVKDASIQVVSAIRAAPEAARSLASSLPGQTKILAKVFYGEN
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                                          (00:03:13)
[INFO]       Main:     Simulation completed successfully.                                          (00:03:15)

• Minimal score value: -4.6661
• Maximal score value: 2.961
• Average score: -0.0816
• Total score value: -11.2554

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	0.4325
2	A	A	-1.0382
3	E	A	-3.1637
4	D	A	-4.0628
5	E	A	-4.6661
6	D	A	-4.6327
7	N	A	-4.1028
8	Q	A	-3.6562
9	Q	A	-3.6464
10	G	A	-2.8718
11	Q	A	-2.7971
12	G	A	-2.2255
13	E	A	-2.4933
14	G	A	-1.0126
15	L	A	0.4577
16	K	A	-0.9216
17	Y	A	0.3296
18	L	A	1.3620
19	G	A	0.1887
20	F	A	0.4182
21	V	A	0.6729
22	Q	A	-0.9933
23	D	A	-1.3767
24	A	A	-0.0468
25	A	A	0.2638
26	T	A	0.3602
27	Y	A	1.0261
28	A	A	1.4275
29	V	A	2.0959
30	T	A	1.2638
31	T	A	1.3376
32	F	A	2.4541
33	S	A	1.5333
34	N	A	0.5150
35	V	A	1.2965
36	Y	A	1.0689
37	L	A	1.1376
38	F	A	0.7572
39	A	A	-0.4055
40	K	A	-1.6501
41	D	A	-2.3065
42	K	A	-2.3205
43	S	A	-1.5148
44	G	A	-1.4410
45	P	A	-0.4761
46	L	A	0.1976
47	Q	A	-1.1046
48	P	A	-0.5268
49	G	A	-0.2141
50	V	A	-0.4270
51	D	A	-1.2320
52	I	A	1.0621
53	I	A	0.5832
54	E	A	-1.0003
55	G	A	-0.8542
56	P	A	-0.5546
57	V	A	0.1875
58	K	A	-1.4344
59	N	A	-1.2832
60	V	A	0.5039
61	A	A	0.5517
62	V	A	1.2262
63	P	A	0.3727
64	L	A	0.8892
65	Y	A	1.5103
66	N	A	-0.3309
67	R	A	-0.1193
68	F	A	2.0181
69	S	A	1.1475
70	Y	A	1.7998
71	I	A	2.1126
72	P	A	0.7247
73	N	A	-0.7821
74	G	A	-0.0587
75	A	A	0.4726
76	L	A	0.2216
77	K	A	-1.2625
78	F	A	0.7746
79	V	A	1.5832
80	D	A	-0.3395
81	S	A	0.5301
82	T	A	1.2456
83	V	A	2.1206
84	V	A	2.8725
85	A	A	1.9709
86	S	A	2.0919
87	V	A	2.9610
88	T	A	1.6420
89	I	A	2.1242
90	I	A	1.1648
91	D	A	-0.6291
92	R	A	-1.3663
93	S	A	-0.4890
94	L	A	0.2611
95	P	A	-0.1302
96	P	A	-0.0299
97	I	A	1.4562
98	V	A	0.9281
99	K	A	0.1099
100	D	A	-0.7653
101	A	A	0.1312
102	S	A	0.8790
103	I	A	1.4058
104	Q	A	-0.4121
105	V	A	0.5797
106	V	A	0.7988
107	S	A	-0.0021
108	A	A	-0.2117
109	I	A	-0.3661
110	R	A	-1.7351
111	A	A	-0.8090
112	A	A	-1.1148
113	P	A	-1.3792
114	E	A	-2.1355
115	A	A	-0.9535
116	A	A	-0.7319
117	R	A	-1.3640
118	S	A	-0.3155
119	L	A	1.1740
120	A	A	0.3116
121	S	A	0.2753
122	S	A	0.6625
123	L	A	1.3309
124	P	A	-0.1867
125	G	A	-0.5183
126	Q	A	-0.3683
127	T	A	-0.6560
128	K	A	-1.2038
129	I	A	1.1839
130	L	A	1.2427
131	A	A	0.5461
132	K	A	-0.0902
133	V	A	2.2692
134	F	A	2.9172
135	Y	A	1.3429
136	G	A	-0.5069
137	E	A	-2.2198
138	N	A	-2.0867