Project name: 6J4C_analysis

Chain sequence(s)	A: PADPEIVEGLPIPLAVAGHHQPAPFYLTADMFGGLPVQLAGGELSTLVGKPVAAPHTHPVDELYLLVSPNKGGARIEVQLDGRRHELLSPAVMRIPAGSEHCFLTLEAEVGSYCFGILLGDRL
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]                                                (00:00:02)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:02)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with A chain(s) selected             (00:00:02)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:02)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:02)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:00:59)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:00)

• Minimal score value: -3.645
• Maximal score value: 1.9387
• Average score: -0.4486
• Total score value: -55.1828

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
7	P	A	-0.6031
8	A	A	-0.7860
9	D	A	-1.5084
10	P	A	-0.8346
11	E	A	-1.0598
12	I	A	0.4133
13	V	A	0.2654
14	E	A	-1.1691
15	G	A	-0.4765
16	L	A	0.2328
17	P	A	0.3133
18	I	A	0.6306
19	P	A	0.0758
20	L	A	0.2469
21	A	A	-0.1307
22	V	A	0.0248
23	A	A	-0.1265
24	G	A	-0.4910
25	H	A	-0.8596
26	H	A	-1.5612
27	Q	A	-1.6413
28	P	A	-0.7260
29	A	A	0.0000
30	P	A	0.1332
31	F	A	0.0000
32	Y	A	0.6489
33	L	A	0.9112
34	T	A	0.0000
35	A	A	-1.4328
36	D	A	-1.8191
37	M	A	-0.3282
38	F	A	0.7086
39	G	A	-0.3787
40	G	A	-1.0144
41	L	A	-0.5085
42	P	A	-0.8468
43	V	A	-0.2628
44	Q	A	0.0000
45	L	A	0.9331
46	A	A	0.4802
47	G	A	0.2171
48	G	A	-0.1975
49	E	A	-0.1720
50	L	A	0.0000
51	S	A	0.2880
52	T	A	0.1087
53	L	A	-0.1441
54	V	A	-0.0550
55	G	A	-0.7228
56	K	A	-1.2801
57	P	A	-0.5443
58	V	A	-0.2797
59	A	A	-0.4088
60	A	A	-0.3648
61	P	A	-0.9911
62	H	A	-1.0072
63	T	A	-0.9192
64	H	A	0.0000
65	P	A	-0.6123
66	V	A	-0.4294
67	D	A	-0.4839
68	E	A	0.0000
69	L	A	0.4953
70	Y	A	0.0000
71	L	A	1.4511
72	L	A	0.0000
73	V	A	0.4977
74	S	A	-0.5098
75	P	A	-1.0195
76	N	A	-2.1962
77	K	A	-2.3737
78	G	A	-1.5225
79	G	A	-1.3684
80	A	A	0.0000
81	R	A	-0.5923
82	I	A	0.0000
83	E	A	0.0000
84	V	A	0.0000
85	Q	A	-2.6219
86	L	A	0.0000
87	D	A	-3.3401
88	G	A	-3.0490
89	R	A	-3.6450
90	R	A	-3.5498
91	H	A	-2.1833
92	E	A	-1.0714
93	L	A	0.4701
94	L	A	0.5550
95	S	A	0.0000
96	P	A	0.1140
97	A	A	1.2157
98	V	A	1.9387
99	M	A	0.1862
100	R	A	-1.2162
101	I	A	0.0000
102	P	A	-0.9486
103	A	A	-0.7417
104	G	A	-1.1568
105	S	A	-1.6371
106	E	A	-2.4274
107	H	A	0.0000
108	C	A	0.0000
109	F	A	-0.1761
110	L	A	-0.1276
111	T	A	0.0000
112	L	A	-0.4787
113	E	A	-1.4008
114	A	A	-0.4565
115	E	A	-0.1529
116	V	A	1.2487
117	G	A	0.4000
118	S	A	0.0000
119	Y	A	0.6137
120	C	A	0.0000
121	F	A	0.9883
122	G	A	0.0000
123	I	A	0.8032
124	L	A	0.0000
125	L	A	0.2975
126	G	A	-0.9212
127	D	A	-2.5810
128	R	A	-2.1535
129	L	A	-0.2936