Project name: 58afabb3ee2649f

Chain sequence(s)	A: MKQHDFFKSAMPEGYVQERTIFFKDDGNYKTRAEVKFEGDTLVNRIELKGIDFKEDGNILGHKLEYNYNSHNVYIMADKQKNGIKVNFQIRHNIEDGSVQLAEHYQQNTPSANGPCCCP
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                                          (00:01:40)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:40)

• Minimal score value: -3.7105
• Maximal score value: 1.8403
• Average score: -1.0675
• Total score value: -127.033

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	-0.3772
2	K	A	-2.2274
3	Q	A	-1.9487
4	H	A	-1.2708
5	D	A	-1.4513
6	F	A	0.0000
7	F	A	-0.3670
8	K	A	-1.7641
9	S	A	-1.2666
10	A	A	0.0000
11	M	A	-0.8278
12	P	A	-1.2633
13	E	A	-1.9271
14	G	A	0.0000
15	Y	A	-1.0194
16	V	A	-1.1771
17	Q	A	-1.9778
18	E	A	-2.7463
19	R	A	-1.7032
20	T	A	-0.8671
21	I	A	0.0000
22	F	A	0.1392
23	F	A	0.0000
24	K	A	-1.6787
25	D	A	-2.5012
26	D	A	-2.2811
27	G	A	0.0000
28	N	A	-0.7427
29	Y	A	-0.4357
30	K	A	-1.9919
31	T	A	-2.0332
32	R	A	-3.1973
33	A	A	0.0000
34	E	A	-2.2836
35	V	A	0.0000
36	K	A	-1.2201
37	F	A	-0.5103
38	E	A	-1.0036
39	G	A	-1.3250
40	D	A	-1.7937
41	T	A	-0.6824
42	L	A	0.3186
43	V	A	-0.6021
44	N	A	-1.5653
45	R	A	-2.4055
46	I	A	-0.6870
47	E	A	-1.9936
48	L	A	-0.8242
49	K	A	-1.7100
50	G	A	-0.6005
51	I	A	-0.5586
52	D	A	-1.8995
53	F	A	-2.0643
54	K	A	-3.5118
55	E	A	-3.5985
56	D	A	-3.3413
57	G	A	-2.5654
58	N	A	-1.9540
59	I	A	-0.8631
60	L	A	-1.0518
61	G	A	-1.8543
62	H	A	-1.6536
63	K	A	-2.0045
64	L	A	-1.0222
65	E	A	-1.4136
66	Y	A	0.2075
67	N	A	-0.2886
68	Y	A	0.4106
69	N	A	-0.4314
70	S	A	-0.4418
71	H	A	-0.6850
72	N	A	-0.5420
73	V	A	1.2198
74	Y	A	1.8403
75	I	A	1.7193
76	M	A	1.0009
77	A	A	-0.7627
78	D	A	-2.2348
79	K	A	-3.1673
80	Q	A	-3.3086
81	K	A	-3.7105
82	N	A	-3.1825
83	G	A	0.0000
84	I	A	0.0000
85	K	A	-1.0212
86	V	A	0.0000
87	N	A	-0.3138
88	F	A	0.0000
89	Q	A	-1.0109
90	I	A	0.0000
91	R	A	-0.8153
92	H	A	-0.5994
93	N	A	-1.1402
94	I	A	0.0000
95	E	A	-3.1374
96	D	A	-2.9920
97	G	A	-1.8801
98	S	A	-0.8827
99	V	A	0.0618
100	Q	A	0.0000
101	L	A	-0.5054
102	A	A	0.0000
103	E	A	-0.5031
104	H	A	0.0000
105	Y	A	-0.3532
106	Q	A	0.0000
107	Q	A	-2.2033
108	N	A	0.0000
109	T	A	-1.2979
110	P	A	-1.0939
111	S	A	-0.9791
112	A	A	-1.2402
113	N	A	-1.7481
114	G	A	-1.0679
115	P	A	-0.6600
116	C	A	-0.6389
117	C	A	-0.7298
118	C	A	-0.4921
119	P	A	-0.2825