Project name: 3fc40d96c6a644

Chain sequence(s)	A: KVFGRCELAAAMKRHGLDNYRGYSLGNWVCAAKFESNFNTQATNRNTDGSTDYGILQINSRWWCNDGRTPGSRNLCNIPCSALLSSDITASVNCAKKIVSDGNGMNAWVAWRNRCKGTDVQAWIRGCRL
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                                          (00:01:20)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:21)

• Minimal score value: -3.3584
• Maximal score value: 0.6504
• Average score: -1.0276
• Total score value: -132.5592

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	K	A	-1.5300
2	V	A	0.0867
3	F	A	0.0000
4	G	A	-1.0097
5	R	A	-1.2466
6	C	A	-1.0068
7	E	A	-1.1966
8	L	A	0.0000
9	A	A	0.0000
10	A	A	-1.1842
11	A	A	-1.3807
12	M	A	0.0000
13	K	A	-2.2600
14	R	A	-2.5358
15	H	A	-2.0213
16	G	A	-1.9774
17	L	A	0.0000
18	D	A	-2.2858
19	N	A	-2.3142
20	Y	A	-1.7759
21	R	A	-2.4297
22	G	A	-1.8160
23	Y	A	-1.2599
24	S	A	-1.4249
25	L	A	0.0000
26	G	A	0.0000
27	N	A	-1.0898
28	W	A	0.0000
29	V	A	0.0000
30	C	A	0.0000
31	A	A	0.0000
32	A	A	0.0000
33	K	A	-1.0211
34	F	A	-0.0004
35	E	A	-0.2871
36	S	A	0.0000
37	N	A	-1.1903
38	F	A	0.0000
39	N	A	-1.0780
40	T	A	0.0000
41	Q	A	-1.4116
42	A	A	-1.1227
43	T	A	-1.3302
44	N	A	-1.9773
45	R	A	-2.8047
46	N	A	-2.1212
47	T	A	-1.3019
48	D	A	-1.7703
49	G	A	-1.8851
50	S	A	0.0000
51	T	A	0.0000
52	D	A	-1.2272
53	Y	A	0.0000
54	G	A	0.0000
55	I	A	0.0000
56	L	A	0.0000
57	Q	A	-0.3495
58	I	A	0.0000
59	N	A	-0.6771
60	S	A	0.0000
61	R	A	-1.1705
62	W	A	-0.0910
63	W	A	-0.5059
64	C	A	0.0000
65	N	A	-1.9142
66	D	A	-1.6243
67	G	A	-1.8294
68	R	A	-2.5042
69	T	A	0.0000
70	P	A	-1.5339
71	G	A	-1.4112
72	S	A	-1.6980
73	R	A	-1.9861
74	N	A	-1.3741
75	L	A	-0.3905
76	C	A	-0.9548
77	N	A	-1.3681
78	I	A	-0.5773
79	P	A	-0.8332
80	C	A	0.0000
81	S	A	-0.4522
82	A	A	-0.3640
83	L	A	0.0000
84	L	A	-0.8392
85	S	A	-1.2113
86	S	A	-1.5870
87	D	A	-2.1131
88	I	A	0.0000
89	T	A	-1.0157
90	A	A	-0.7348
91	S	A	0.0000
92	V	A	0.0000
93	N	A	-1.7949
94	C	A	0.0000
95	A	A	0.0000
96	K	A	-2.0339
97	K	A	-2.2683
98	I	A	0.0000
99	V	A	0.0000
100	S	A	-2.3148
101	D	A	-2.8143
102	G	A	-2.1893
103	N	A	-2.1076
104	G	A	-1.7204
105	M	A	0.0000
106	N	A	-1.1145
107	A	A	-0.5010
108	W	A	0.0000
109	V	A	0.6504
110	A	A	-0.6523
111	W	A	0.0000
112	R	A	-2.5964
113	N	A	-2.6753
114	R	A	-2.9443
115	C	A	0.0000
116	K	A	-3.3584
117	G	A	-2.2715
118	T	A	-2.0988
119	D	A	-2.4102
120	V	A	-1.8596
121	Q	A	-1.8381
122	A	A	-1.3090
123	W	A	-0.8573
124	I	A	-0.6890
125	R	A	-1.7912
126	G	A	-1.2576
127	C	A	-1.0873
128	R	A	-1.3860
129	L	A	0.0300