Project name: PET30a-AgSgNTw

Chain sequence(s)	A: MDEDTGENFANVFAQSLENCGAFSHEESQEYREIIQVLTRAFGSFPDLQKAPPGVLKATAAGFASAVAERTASDIEQGELFAKTRCVIQALREAFIVTTGVTNPYFISEVERLIEVFYITRGLEHHHHHH
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                                          (00:03:10)
[INFO]       Main:     Simulation completed successfully.                                          (00:03:11)

• Minimal score value: -3.9398
• Maximal score value: 1.9631
• Average score: -0.9094
• Total score value: -118.2238

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	-0.6222
2	D	A	-2.9161
3	E	A	-3.9398
4	D	A	-3.7376
5	T	A	-2.5861
6	G	A	0.0000
7	E	A	-3.1030
8	N	A	-2.3560
9	F	A	0.0000
10	A	A	0.0000
11	N	A	-2.0672
12	V	A	-0.7971
13	F	A	0.0000
14	A	A	0.0000
15	Q	A	-2.4148
16	S	A	0.0000
17	L	A	0.0000
18	E	A	-2.9788
19	N	A	-2.2714
20	C	A	-1.3933
21	G	A	-1.2256
22	A	A	-1.1334
23	F	A	0.0000
24	S	A	-1.9805
25	H	A	-3.0814
26	E	A	-3.3295
27	E	A	-3.0827
28	S	A	0.0000
29	Q	A	-3.0631
30	E	A	-3.1243
31	Y	A	0.0000
32	R	A	-2.2167
33	E	A	-2.0878
34	I	A	0.0000
35	I	A	0.0000
36	Q	A	-0.9919
37	V	A	0.6368
38	L	A	0.0000
39	T	A	-0.8055
40	R	A	-1.3260
41	A	A	-0.0140
42	F	A	0.6024
43	G	A	-0.4011
44	S	A	0.0000
45	F	A	0.0000
46	P	A	0.0000
47	D	A	-0.9266
48	L	A	0.0000
49	Q	A	-1.7208
50	K	A	-2.3138
51	A	A	-1.3462
52	P	A	-1.0154
53	P	A	-1.0248
54	G	A	-0.7232
55	V	A	-0.1385
56	L	A	0.0000
57	K	A	-0.8487
58	A	A	-0.2633
59	T	A	0.0000
60	A	A	0.0000
61	A	A	-0.3238
62	G	A	0.0592
63	F	A	0.0000
64	A	A	0.0000
65	S	A	-0.4613
66	A	A	-0.8259
67	V	A	0.0000
68	A	A	0.0000
69	E	A	-2.1611
70	R	A	-1.8510
71	T	A	0.0000
72	A	A	-1.6934
73	S	A	-1.6423
74	D	A	-2.2908
75	I	A	-1.9332
76	E	A	-2.8832
77	Q	A	-2.2448
78	G	A	-1.7562
79	E	A	-2.4440
80	L	A	0.0000
81	F	A	-0.7823
82	A	A	-0.9545
83	K	A	-1.0046
84	T	A	-1.4116
85	R	A	-2.1983
86	C	A	0.0000
87	V	A	0.0000
88	I	A	0.0000
89	Q	A	-2.1275
90	A	A	0.0000
91	L	A	0.0000
92	R	A	-1.2280
93	E	A	-0.7578
94	A	A	0.0000
95	F	A	0.0000
96	I	A	1.7761
97	V	A	1.9631
98	T	A	0.9510
99	T	A	0.7211
100	G	A	0.9715
101	V	A	1.1149
102	T	A	0.3054
103	N	A	0.0000
104	P	A	0.1515
105	Y	A	0.8276
106	F	A	0.0000
107	I	A	0.0000
108	S	A	-0.7859
109	E	A	0.0000
110	V	A	0.0000
111	E	A	-2.9045
112	R	A	-2.6095
113	L	A	-1.1690
114	I	A	0.0000
115	E	A	-1.4463
116	V	A	0.1821
117	F	A	0.4400
118	Y	A	0.4238
119	I	A	1.7009
120	T	A	0.6068
121	R	A	-0.5872
122	G	A	-0.2098
123	L	A	-0.1225
124	E	A	-2.5458
125	H	A	-2.8660
126	H	A	-2.8641
127	H	A	-3.0522
128	H	A	-3.0512
129	H	A	-2.9144
130	H	A	-2.1858