Project name: b907f76736e4f18

Chain sequence(s)	A: MNHKVHRYFYTGAEILGLIDEKHRELPEDVGLDASTAESFHRVHTAFERELHLLGVQVQQFQDVATRLQTAYAGEKAEAIQNKEQEVSAAWQALLDACAGRRTQLVDTADKFRFFSMARDLLSWMESIIRQIETQE
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                                          (00:03:15)
[INFO]       Main:     Simulation completed successfully.                                          (00:03:16)

• Minimal score value: -4.1134
• Maximal score value: 1.0488
• Average score: -1.2634
• Total score value: -171.8156

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	-0.4835
2	N	A	-2.2351
3	H	A	-2.8294
4	K	A	-2.7492
5	V	A	0.0000
6	H	A	-2.4037
7	R	A	-2.6561
8	Y	A	0.0000
9	F	A	-0.2857
10	Y	A	0.0518
11	T	A	0.0000
12	G	A	0.0000
13	A	A	-0.5486
14	E	A	-1.2622
15	I	A	0.0000
16	L	A	-0.9883
17	G	A	-1.3763
18	L	A	-1.1123
19	I	A	0.0000
20	D	A	-3.0307
21	E	A	-3.5751
22	K	A	-3.0746
23	H	A	-2.9534
24	R	A	-4.1134
25	E	A	-3.7956
26	L	A	-2.4436
27	P	A	-1.9881
28	E	A	-3.0662
29	D	A	-2.1596
30	V	A	-1.3066
31	G	A	-0.3320
32	L	A	0.9070
33	D	A	-0.9468
34	A	A	-1.0526
35	S	A	-0.8064
36	T	A	-0.6443
37	A	A	0.0000
38	E	A	-1.4020
39	S	A	-0.7847
40	F	A	-0.3629
41	H	A	-1.0014
42	R	A	-1.3614
43	V	A	0.6384
44	H	A	0.0000
45	T	A	-1.4227
46	A	A	-1.2235
47	F	A	-1.8393
48	E	A	-2.7686
49	R	A	-3.3392
50	E	A	-2.9962
51	L	A	0.0000
52	H	A	-1.4445
53	L	A	0.3136
54	L	A	0.0000
55	G	A	-0.0953
56	V	A	0.9448
57	Q	A	-0.3202
58	V	A	0.0000
59	Q	A	-1.3210
60	Q	A	-1.6132
61	F	A	0.0000
62	Q	A	-1.6884
63	D	A	-1.8618
64	V	A	-1.4170
65	A	A	0.0000
66	T	A	-1.5404
67	R	A	-2.0730
68	L	A	0.0000
69	Q	A	-1.5653
70	T	A	-0.8080
71	A	A	-0.3915
72	Y	A	-0.8219
73	A	A	-1.0218
74	G	A	-1.8775
75	E	A	-2.9516
76	K	A	-2.4116
77	A	A	-2.2953
78	E	A	-3.4140
79	A	A	-2.4762
80	I	A	0.0000
81	Q	A	-3.0201
82	N	A	-3.2447
83	K	A	-2.4119
84	E	A	-2.4492
85	Q	A	-2.9313
86	E	A	-2.9616
87	V	A	0.0000
88	S	A	-1.6667
89	A	A	-1.2237
90	A	A	-1.2541
91	W	A	-0.9634
92	Q	A	-1.2352
93	A	A	-0.9378
94	L	A	0.0000
95	L	A	-0.9041
96	D	A	-1.9620
97	A	A	-1.1476
98	C	A	0.0000
99	A	A	-1.3979
100	G	A	-1.3843
101	R	A	0.0000
102	R	A	-2.2120
103	T	A	-1.5390
104	Q	A	-2.5145
105	L	A	0.0000
106	V	A	-1.4153
107	D	A	-3.0305
108	T	A	-2.1094
109	A	A	-2.0618
110	D	A	-3.1305
111	K	A	-2.3462
112	F	A	-1.1867
113	R	A	-1.9630
114	F	A	0.2712
115	F	A	-0.0695
116	S	A	-0.7098
117	M	A	0.3372
118	A	A	0.1840
119	R	A	-1.3492
120	D	A	-1.1001
121	L	A	0.5849
122	L	A	0.7050
123	S	A	0.2053
124	W	A	1.0488
125	M	A	0.8150
126	E	A	-0.1493
127	S	A	0.0103
128	I	A	0.7170
129	I	A	0.2635
130	R	A	-2.1725
131	Q	A	-1.9285
132	I	A	-0.9221
133	E	A	-2.6877
134	T	A	-2.3056
135	Q	A	-2.6373
136	E	A	-3.0465