Project name: 957a580ca521750

Chain sequence(s)	A: MTSKIEQPRWASKDSAAGAASTPDEKIVLEFMDALTSNDAAKLIEYFAEDTMYQNMPLPPAYGRDAVEQTLAGLFTVMSIDAVETFHIGSSNGLVYTERVDVLRALPTGKSYNLSILGVFQLTEGKITGWRDYFDLREFEEAVDLPLRG
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                                          (00:01:33)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:34)

• Minimal score value: -3.9328
• Maximal score value: 0.9373
• Average score: -0.9024
• Total score value: -134.4603

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	0.5894
2	T	A	-0.3731
3	S	A	-0.9156
4	K	A	-2.0765
5	I	A	-1.7623
6	E	A	-3.0384
7	Q	A	-2.6152
8	P	A	-1.7057
9	R	A	-2.2056
10	W	A	-0.5747
11	A	A	-1.3319
12	S	A	-1.8186
13	K	A	-2.7736
14	D	A	-2.7672
15	S	A	-1.5807
16	A	A	-0.9399
17	A	A	-1.0011
18	G	A	-0.8469
19	A	A	-0.5392
20	A	A	-0.9252
21	S	A	-0.7061
22	T	A	-0.8846
23	P	A	-1.1733
24	D	A	-1.9690
25	E	A	0.0000
26	K	A	-2.1873
27	I	A	-1.5223
28	V	A	0.0000
29	L	A	-1.5940
30	E	A	-2.4361
31	F	A	0.0000
32	M	A	0.0000
33	D	A	-2.3247
34	A	A	-1.6188
35	L	A	0.0000
36	T	A	-0.7619
37	S	A	-1.0554
38	N	A	-0.8052
39	D	A	-1.2356
40	A	A	-1.4647
41	A	A	-1.6035
42	K	A	-2.4512
43	L	A	0.0000
44	I	A	0.0000
45	E	A	-2.6123
46	Y	A	-1.2781
47	F	A	0.0000
48	A	A	-2.3890
49	E	A	-3.2719
50	D	A	-2.6525
51	T	A	0.0000
52	M	A	-0.4571
53	Y	A	0.0000
54	Q	A	0.0000
55	N	A	0.0107
56	M	A	0.0881
57	P	A	-0.5003
58	L	A	-0.1576
59	P	A	-0.3679
60	P	A	0.0430
61	A	A	0.0000
62	Y	A	0.3707
63	G	A	-1.3303
64	R	A	-2.6402
65	D	A	-2.6655
66	A	A	-1.3250
67	V	A	0.0000
68	E	A	-2.5303
69	Q	A	-2.0971
70	T	A	-1.0259
71	L	A	0.0000
72	A	A	-0.6348
73	G	A	-0.3532
74	L	A	0.1735
75	F	A	0.3294
76	T	A	0.4326
77	V	A	0.8584
78	M	A	0.2895
79	S	A	-0.0257
80	I	A	-0.1807
81	D	A	-0.6099
82	A	A	-0.7822
83	V	A	-0.4932
84	E	A	-1.3734
85	T	A	-0.7318
86	F	A	0.0000
87	H	A	-0.4834
88	I	A	-0.0883
89	G	A	-0.0849
90	S	A	-0.4668
91	S	A	-0.8400
92	N	A	-1.5239
93	G	A	-1.4025
94	L	A	-0.3984
95	V	A	0.0000
96	Y	A	0.7042
97	T	A	0.0000
98	E	A	-0.1381
99	R	A	0.0000
100	V	A	-0.4913
101	D	A	0.0000
102	V	A	0.0000
103	L	A	0.0000
104	R	A	-0.9255
105	A	A	0.0000
106	L	A	0.4933
107	P	A	-0.3093
108	T	A	-0.9580
109	G	A	-1.2690
110	K	A	-1.8668
111	S	A	-1.0807
112	Y	A	-0.9650
113	N	A	-0.8244
114	L	A	0.0000
115	S	A	-0.3598
116	I	A	0.0000
117	L	A	0.9373
118	G	A	0.0000
119	V	A	0.3868
120	F	A	0.0000
121	Q	A	-1.1806
122	L	A	0.0000
123	T	A	-1.7785
124	E	A	-2.3589
125	G	A	-1.9379
126	K	A	-2.3889
127	I	A	0.0000
128	T	A	-1.4022
129	G	A	0.0000
130	W	A	0.0000
131	R	A	-0.3159
132	D	A	0.0000
133	Y	A	0.5847
134	F	A	-0.5420
135	D	A	-2.5881
136	L	A	0.0000
137	R	A	-3.9328
138	E	A	-3.7362
139	F	A	0.0000
140	E	A	0.0000
141	E	A	-3.4950
142	A	A	-2.3793
143	V	A	0.0000
144	D	A	-2.6882
145	L	A	-1.5349
146	P	A	-1.6311
147	L	A	-1.0064
148	R	A	-2.0524
149	G	A	-1.2555