Project name: ad56f51852c80d0

Chain sequence(s)	A: EAKLTNTTTESRCPTQGEPTLNEEQDKRFVCKHSMVDRGWGNGCGLFGKGGIVTCAMFTCKEAKLTNTTTESRCPTQGEPTLNEEQDKRFVCKHSMVDRGWGNGCGLFGKGGIVTCAMFTCK
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                                          (00:01:14)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:14)

• Minimal score value: -3.5868
• Maximal score value: 2.1377
• Average score: -0.8853
• Total score value: -108.0033

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	E	A	-3.1617
2	A	A	-1.7369
3	K	A	-1.6121
4	L	A	0.0838
5	T	A	-0.2131
6	N	A	-0.9128
7	T	A	-0.1024
8	T	A	-0.6307
9	T	A	-0.7111
10	E	A	-1.2168
11	S	A	-1.0293
12	R	A	-1.6109
13	C	A	-1.1687
14	P	A	-0.8289
15	T	A	-1.1801
16	Q	A	-2.0009
17	G	A	-2.0677
18	E	A	-2.5601
19	P	A	0.0000
20	T	A	-1.2762
21	L	A	-1.2143
22	N	A	-1.9730
23	E	A	-1.9264
24	E	A	-2.4011
25	Q	A	-2.6433
26	D	A	-2.5782
27	K	A	-2.8109
28	R	A	-2.1817
29	F	A	-0.8969
30	V	A	0.8250
31	C	A	-0.7345
32	K	A	-1.7797
33	H	A	-1.8909
34	S	A	-0.7833
35	M	A	-0.1636
36	V	A	-0.4835
37	D	A	-1.7384
38	R	A	0.0000
39	G	A	0.0000
40	W	A	0.9955
41	G	A	-0.4784
42	N	A	-1.4260
43	G	A	-0.7209
44	C	A	0.0000
45	G	A	0.6604
46	L	A	2.1377
47	F	A	1.8476
48	G	A	-0.1343
49	K	A	-1.5112
50	G	A	0.0000
51	G	A	0.0000
52	I	A	-1.0541
53	V	A	0.0000
54	T	A	-0.7458
55	C	A	0.0000
56	A	A	0.0000
57	M	A	0.3344
58	F	A	1.0765
59	T	A	-0.6613
60	C	A	-1.7868
61	K	A	-3.1370
62	E	A	-3.5868
63	A	A	-1.9153
64	K	A	-1.4883
65	L	A	0.4765
66	T	A	-0.1041
67	N	A	-0.8537
68	T	A	-0.0656
69	T	A	-0.5586
70	T	A	-0.5486
71	E	A	-0.9441
72	S	A	-1.0395
73	R	A	-1.7042
74	C	A	-1.2741
75	P	A	-0.8273
76	T	A	-1.2146
77	Q	A	-2.0635
78	G	A	-2.1402
79	E	A	-2.5647
80	P	A	0.0000
81	T	A	-1.2541
82	L	A	-1.1337
83	N	A	-1.9829
84	E	A	-1.9120
85	E	A	-2.2582
86	Q	A	-2.6043
87	D	A	-2.6128
88	K	A	-2.8081
89	R	A	-2.2202
90	F	A	-0.8079
91	V	A	0.7880
92	C	A	-0.7094
93	K	A	-1.7479
94	H	A	-1.8195
95	S	A	-0.6601
96	M	A	0.0877
97	V	A	-0.2900
98	D	A	-1.5852
99	R	A	0.0000
100	G	A	0.3264
101	W	A	0.8393
102	G	A	-0.6323
103	N	A	-1.3412
104	G	A	-0.8197
105	C	A	0.0000
106	G	A	0.4164
107	L	A	1.6184
108	F	A	1.6639
109	G	A	0.0144
110	K	A	-1.1015
111	G	A	0.0000
112	G	A	-1.2505
113	I	A	-0.8669
114	V	A	0.0000
115	T	A	-0.6404
116	C	A	0.0000
117	A	A	0.3621
118	M	A	0.2950
119	F	A	0.9773
120	T	A	-0.6916
121	C	A	-1.9779
122	K	A	-3.3322