Project name: 38A

Chain sequence(s)	A: APTSSSTKKTQLQLEHLLLDLQMILNGINNYKNPELTRMLTKKFYMPKKATELKHLQCLEEELKPLEEVLNLAQSKNFHLRPRDLISNINVIVLELKGSETTFMCEYADETATIVEFLNRWITFSDSIISTLT
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                                          (00:02:23)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:23)

• Minimal score value: -3.9094
• Maximal score value: 1.0383
• Average score: -0.9896
• Total score value: -131.6139

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	-0.1241
2	P	A	-0.5052
3	T	A	-0.5450
4	S	A	-0.9647
5	S	A	-1.2628
6	S	A	-1.3704
7	T	A	-1.2458
8	K	A	-2.1222
9	K	A	-2.4683
10	T	A	-1.6178
11	Q	A	-1.4355
12	L	A	-1.1197
13	Q	A	-1.1398
14	L	A	0.0000
15	E	A	-1.1033
16	H	A	-0.9421
17	L	A	0.0000
18	L	A	-0.1012
19	L	A	0.8348
20	D	A	-0.1777
21	L	A	0.0000
22	Q	A	-0.4720
23	M	A	-0.3974
24	I	A	0.0000
25	L	A	-1.1702
26	N	A	-1.9537
27	G	A	-1.6964
28	I	A	0.0000
29	N	A	-1.8168
30	N	A	-1.5482
31	Y	A	-0.1978
32	K	A	-1.8129
33	N	A	0.0000
34	P	A	-1.2115
35	E	A	-1.4346
36	L	A	-0.9269
37	T	A	-1.0189
38	R	A	-1.9307
39	M	A	0.0000
40	L	A	-0.7662
41	T	A	-1.0985
42	K	A	-1.7954
43	K	A	-1.8461
44	F	A	0.0000
45	Y	A	-0.0228
46	M	A	0.0000
47	P	A	0.0000
48	K	A	-2.8753
49	K	A	-2.8197
50	A	A	-1.9850
51	T	A	-1.3770
52	E	A	-2.0681
53	L	A	-1.2804
54	K	A	-1.6919
55	H	A	-1.5729
56	L	A	0.0000
57	Q	A	-0.7764
58	C	A	0.0000
59	L	A	0.0000
60	E	A	-0.9838
61	E	A	-1.2455
62	E	A	0.0000
63	L	A	0.0000
64	K	A	-2.6586
65	P	A	-1.7781
66	L	A	0.0000
67	E	A	-2.4455
68	E	A	-2.0498
69	V	A	0.0000
70	L	A	0.0000
71	N	A	-1.5966
72	L	A	-0.6856
73	A	A	0.0000
74	Q	A	-2.2198
75	S	A	-2.2231
76	K	A	-2.8789
77	N	A	-2.5410
78	F	A	0.0000
79	H	A	-1.5612
80	L	A	-1.7872
81	R	A	-3.4795
82	P	A	0.0000
83	R	A	-3.9094
84	D	A	-3.5223
85	L	A	0.0000
86	I	A	0.0000
87	S	A	-1.6213
88	N	A	-1.3889
89	I	A	0.0000
90	N	A	-0.4788
91	V	A	1.0383
92	I	A	-0.0031
93	V	A	0.0000
94	L	A	0.0999
95	E	A	-1.1400
96	L	A	0.0000
97	K	A	-1.5664
98	G	A	-1.5154
99	S	A	-1.5569
100	E	A	-2.2052
101	T	A	-0.9799
102	T	A	-0.3438
103	F	A	-0.0294
104	M	A	0.7682
105	C	A	-0.3776
106	E	A	-1.2376
107	Y	A	-1.1628
108	A	A	-2.0876
109	D	A	-2.7429
110	E	A	-2.7787
111	T	A	-1.6170
112	A	A	-1.3863
113	T	A	-0.9161
114	I	A	0.0000
115	V	A	-1.0126
116	E	A	-1.9928
117	F	A	0.0000
118	L	A	0.0000
119	N	A	-1.6370
120	R	A	-1.7045
121	W	A	0.0000
122	I	A	-0.9278
123	T	A	-1.0272
124	F	A	0.0000
125	S	A	0.0000
126	D	A	-1.9583
127	S	A	-1.0601
128	I	A	0.0000
129	I	A	-0.4564
130	S	A	-0.4692
131	T	A	-0.0706
132	L	A	0.4167
133	T	A	0.0556