Project name: query_structure

Chain sequence(s)	A: MEMKNMVVGLFLIAAFALPALATNFEKDFITHETVQAILKKVGPSSNGMLDEQTISALTGKTIISNPVLEEALLTHSNSINALGGTLPCGESCVWIPCISSVVGCSCKSKVCYKNSLA
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                                          (00:02:04)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:06)

• Minimal score value: -2.3435
• Maximal score value: 4.6578
• Average score: 0.3691
• Total score value: 43.5493

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	-0.1127
2	E	A	-1.3177
3	M	A	-0.1506
4	K	A	-1.3034
5	N	A	-0.8495
6	M	A	1.0566
7	V	A	2.0435
8	V	A	2.6815
9	G	A	2.5740
10	L	A	4.0641
11	F	A	4.6578
12	L	A	4.0840
13	I	A	4.4917
14	A	A	3.2968
15	A	A	3.0203
16	F	A	3.4799
17	A	A	2.5414
18	L	A	2.7901
19	P	A	1.4822
20	A	A	1.2890
21	L	A	1.8280
22	A	A	0.8978
23	T	A	-0.0472
24	N	A	-0.5658
25	F	A	0.0410
26	E	A	-2.2305
27	K	A	-2.3435
28	D	A	-1.3738
29	F	A	1.3196
30	I	A	1.5003
31	T	A	-0.0343
32	H	A	-1.2441
33	E	A	-1.9376
34	T	A	-0.4770
35	V	A	-0.1267
36	Q	A	-1.3770
37	A	A	-0.6274
38	I	A	1.0560
39	L	A	1.0249
40	K	A	-1.0876
41	K	A	-0.8539
42	V	A	1.0145
43	G	A	-0.1716
44	P	A	-0.7174
45	S	A	-1.0015
46	S	A	-0.8362
47	N	A	-1.1233
48	G	A	-0.4366
49	M	A	0.2079
50	L	A	0.2444
51	D	A	-1.8824
52	E	A	-2.2700
53	Q	A	-1.9516
54	T	A	-0.4981
55	I	A	0.2985
56	S	A	-0.6814
57	A	A	-0.2888
58	L	A	1.0759
59	T	A	0.4023
60	G	A	-0.4298
61	K	A	-0.8003
62	T	A	0.7975
63	I	A	2.5608
64	I	A	2.4272
65	S	A	0.9940
66	N	A	0.0554
67	P	A	-0.2563
68	V	A	0.8200
69	L	A	0.8907
70	E	A	-0.7865
71	E	A	-1.0817
72	A	A	0.1367
73	L	A	0.9338
74	L	A	0.7492
75	T	A	-0.3325
76	H	A	-0.8330
77	S	A	-0.6243
78	N	A	-1.4587
79	S	A	-0.7831
80	I	A	0.3402
81	N	A	-0.8336
82	A	A	0.1189
83	L	A	1.2576
84	G	A	0.1528
85	G	A	0.1022
86	T	A	0.4511
87	L	A	0.8646
88	P	A	0.0214
89	C	A	0.1917
90	G	A	-0.4291
91	E	A	-0.0027
92	S	A	0.2256
93	C	A	0.8965
94	V	A	1.3227
95	W	A	2.1999
96	I	A	2.5752
97	P	A	1.3959
98	C	A	0.0000
99	I	A	2.6872
100	S	A	1.7465
101	S	A	1.4862
102	V	A	2.8222
103	V	A	2.3228
104	G	A	0.4534
105	C	A	0.0000
106	S	A	-0.1840
107	C	A	-0.5782
108	K	A	-1.0936
109	S	A	-1.1527
110	K	A	-1.1778
111	V	A	-0.6350
112	C	A	0.0000
113	Y	A	-0.4679
114	K	A	-0.7320
115	N	A	-0.9838
116	S	A	-0.4562
117	L	A	0.7520
118	A	A	0.3654