Project name: PET30a-AgSgNTm

Chain sequence(s)	A: MDEDTGENFANVFAQSLENSGAFSHEESQEYREIIQVLTRAFGSFPDLQKAPPGVLKATAAGFASAVAERTASDIEQGELFAKTRSVIQALREAFIVTTGVTNPYFISEVERLIEVFYITRGLEHHHHHH
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                                          (00:03:04)
[INFO]       Main:     Simulation completed successfully.                                          (00:03:05)

• Minimal score value: -3.9375
• Maximal score value: 2.1497
• Average score: -1.0006
• Total score value: -130.0781

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	-0.7362
2	D	A	-3.0999
3	E	A	-3.8594
4	D	A	-3.9375
5	T	A	-2.8305
6	G	A	0.0000
7	E	A	-3.6340
8	N	A	-2.2332
9	F	A	0.0000
10	A	A	0.0000
11	N	A	-1.6876
12	V	A	-0.5772
13	F	A	0.0000
14	A	A	-2.2387
15	Q	A	-2.1779
16	S	A	-1.7705
17	L	A	0.0000
18	E	A	-2.5485
19	N	A	-2.2440
20	S	A	-1.7342
21	G	A	-1.2582
22	A	A	-1.2263
23	F	A	0.0000
24	S	A	-1.9470
25	H	A	-2.7716
26	E	A	-3.1991
27	E	A	-2.8560
28	S	A	0.0000
29	Q	A	-3.4833
30	E	A	-3.1863
31	Y	A	0.0000
32	R	A	-2.8076
33	E	A	-2.5686
34	I	A	0.0000
35	I	A	0.0000
36	Q	A	-1.6445
37	V	A	0.2762
38	L	A	0.0000
39	T	A	-1.1608
40	R	A	-1.2750
41	A	A	-0.1235
42	F	A	0.4691
43	G	A	-0.4977
44	S	A	-1.6300
45	F	A	0.0000
46	P	A	0.0000
47	D	A	-1.7554
48	L	A	0.0000
49	Q	A	-1.5148
50	K	A	-2.3487
51	A	A	-1.4307
52	P	A	-0.9557
53	P	A	-0.9735
54	G	A	-0.7219
55	V	A	-0.1422
56	L	A	0.0000
57	K	A	-0.8533
58	A	A	-0.2660
59	T	A	0.0000
60	A	A	0.0000
61	A	A	-0.3051
62	G	A	0.0618
63	F	A	0.0000
64	A	A	0.0000
65	S	A	-0.5047
66	A	A	-0.9189
67	V	A	0.0000
68	A	A	0.0000
69	E	A	-2.3721
70	R	A	-2.3840
71	T	A	0.0000
72	A	A	-1.9428
73	S	A	-1.8502
74	D	A	-2.4932
75	I	A	-2.1401
76	E	A	-3.0676
77	Q	A	-2.5220
78	G	A	-1.8906
79	E	A	-2.7376
80	L	A	-1.4480
81	F	A	-0.3747
82	A	A	-0.9033
83	K	A	-0.9206
84	T	A	-1.2710
85	R	A	-2.1681
86	S	A	-1.5793
87	V	A	0.0000
88	I	A	0.0000
89	Q	A	-2.2007
90	A	A	0.0000
91	L	A	0.0000
92	R	A	-0.9188
93	E	A	-0.4730
94	A	A	0.0000
95	F	A	0.0000
96	I	A	2.1086
97	V	A	2.1497
98	T	A	1.0113
99	T	A	0.8237
100	G	A	1.2213
101	V	A	1.6819
102	T	A	0.6673
103	N	A	0.0000
104	P	A	0.2844
105	Y	A	0.8410
106	F	A	0.0000
107	I	A	0.0000
108	S	A	-0.7619
109	E	A	0.0000
110	V	A	0.0000
111	E	A	-2.8457
112	R	A	-2.5321
113	L	A	-1.1298
114	I	A	0.0000
115	E	A	-1.5111
116	V	A	0.1812
117	F	A	0.4624
118	Y	A	0.4106
119	I	A	1.5211
120	T	A	0.4871
121	R	A	-0.8326
122	G	A	-0.1542
123	L	A	-0.0842
124	E	A	-2.5067
125	H	A	-2.6593
126	H	A	-2.8579
127	H	A	-3.1080
128	H	A	-3.0519
129	H	A	-3.0060
130	H	A	-2.4020