Project name: model1_1

Chain sequence(s)	A: VQIVYKGGGGSGGGGSVICDGCNGPVVGTRYKCSVCPDYDLCSVCEGKGLHRGHTKLAFPSPFGHLSEGFSGGGGSGFLGGRMKQIEDKIEEILSKIYHIENEIARIKKLIGER
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                                        (00:00:01)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:02:28)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:29)

• Minimal score value: -4.7441
• Maximal score value: 2.919
• Average score: -0.6581
• Total score value: -75.0257

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	V	A	1.9229
2	Q	A	1.3212
3	I	A	2.9190
4	V	A	2.8340
5	Y	A	1.3557
6	K	A	-1.0271
7	G	A	-1.2725
8	G	A	-1.5928
9	G	A	-1.5748
10	G	A	-1.2839
11	S	A	-1.0836
12	G	A	-1.1354
13	G	A	-1.3522
14	G	A	-1.0466
15	G	A	-0.9492
16	S	A	0.1173
17	V	A	0.5163
18	I	A	0.8434
19	C	A	0.0000
20	D	A	-1.8419
21	G	A	-0.9694
22	C	A	-0.1817
23	N	A	-1.2756
24	G	A	-0.2048
25	P	A	0.4647
26	V	A	1.1964
27	V	A	2.0525
28	G	A	0.5598
29	T	A	0.5450
30	R	A	0.3376
31	Y	A	-0.0195
32	K	A	-0.2454
33	C	A	0.0000
34	S	A	0.4274
35	V	A	1.3640
36	C	A	0.3975
37	P	A	-0.4197
38	D	A	-1.6162
39	Y	A	-0.8386
40	D	A	0.0000
41	L	A	0.0000
42	C	A	0.0000
43	S	A	0.3397
44	V	A	1.2212
45	C	A	0.0000
46	E	A	-1.1359
47	G	A	-0.9238
48	K	A	-1.8821
49	G	A	-1.5438
50	L	A	-1.3061
51	H	A	-1.7868
52	R	A	-2.5892
53	G	A	-1.5108
54	H	A	-1.0157
55	T	A	-0.5173
56	K	A	-0.3471
57	L	A	0.6271
58	A	A	0.5512
59	F	A	0.8755
60	P	A	0.4866
61	S	A	0.4952
62	P	A	0.4344
63	F	A	1.6090
64	G	A	0.0473
65	H	A	-0.6265
66	L	A	0.5578
67	S	A	-0.4907
68	E	A	-1.5880
69	G	A	-0.5272
70	F	A	0.9622
71	S	A	0.0224
72	G	A	-0.6218
73	G	A	-1.1355
74	G	A	-1.1158
75	G	A	-0.8884
76	S	A	-0.1822
77	G	A	0.1016
78	F	A	1.5894
79	L	A	0.6050
80	G	A	-0.6467
81	G	A	-1.5225
82	R	A	-2.5891
83	M	A	-2.0661
84	K	A	-3.7163
85	Q	A	-3.7498
86	I	A	-2.9483
87	E	A	-4.1758
88	D	A	-4.7441
89	K	A	-3.5261
90	I	A	-2.1357
91	E	A	-3.2389
92	E	A	-3.1315
93	I	A	-0.8130
94	L	A	0.1751
95	S	A	-0.5775
96	K	A	-1.0494
97	I	A	0.3755
98	Y	A	0.6287
99	H	A	-0.6959
100	I	A	0.2751
101	E	A	-1.4487
102	N	A	-2.0578
103	E	A	-1.9490
104	I	A	-0.8467
105	A	A	-1.5957
106	R	A	-2.0056
107	I	A	-0.9036
108	K	A	-1.8697
109	K	A	-2.5871
110	L	A	-0.8467
111	I	A	-0.1315
112	G	A	-1.8738
113	E	A	-2.7008
114	R	A	-2.3714