Project name: 4A6

Chain sequence(s)	A: AERVEQTPTTTTKEAGESLTINCVLRDSNCALASTYWYFTKKGATKKESLSNGGRYAETVNKASKSFSLRISDLRVEDSGTYHCKGDTLGCGLTVMSWNPGYYYEGGGTPLTV
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]                                                (00:00:01)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:01)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with A chain(s) selected             (00:00:01)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:01)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:01)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:00:46)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:47)

• Minimal score value: -3.5362
• Maximal score value: 2.6304
• Average score: -0.6914
• Total score value: -78.1285

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	A	A	-1.2998
2	E	A	-2.5038
3	R	A	-3.3287
4	V	A	0.0000
5	E	A	-2.9071
6	Q	A	0.0000
7	T	A	-0.7997
8	P	A	-0.5668
9	T	A	-0.5716
10	T	A	-0.2620
11	T	A	-0.2308
12	T	A	-0.6469
13	K	A	-1.5592
14	E	A	-2.4769
15	A	A	-1.8065
16	G	A	-2.1183
17	E	A	-2.5904
18	S	A	-1.8746
19	L	A	0.0000
20	T	A	-0.8141
21	I	A	0.0000
22	N	A	-1.1109
23	C	A	0.0000
24	V	A	-1.7148
25	L	A	0.0000
26	R	A	-3.5362
27	D	A	-3.3027
28	S	A	0.0000
29	N	A	-1.9126
30	C	A	0.0000
31	A	A	-0.2113
32	L	A	0.0000
33	A	A	0.0994
34	S	A	0.1317
35	T	A	0.1095
36	Y	A	0.0350
37	W	A	0.0000
38	Y	A	-0.7509
39	F	A	-1.3037
40	T	A	-2.0804
41	K	A	-2.5888
42	K	A	-2.3116
43	G	A	-1.6988
44	A	A	-1.6538
45	T	A	-1.7726
46	K	A	-2.7902
47	K	A	-2.6355
48	E	A	-2.7499
49	S	A	-1.3407
50	L	A	-0.6712
51	S	A	-1.0310
52	N	A	-1.8144
53	G	A	-1.2932
54	G	A	-1.0121
55	R	A	-1.2746
56	Y	A	-1.3130
57	A	A	-1.2798
58	E	A	-1.0984
59	T	A	-0.7634
60	V	A	-0.4319
61	N	A	-1.5658
62	K	A	-2.0917
63	A	A	-1.1211
64	S	A	-1.0664
65	K	A	-1.3163
66	S	A	-1.1762
67	F	A	0.0000
68	S	A	-0.7233
69	L	A	0.0000
70	R	A	-1.6309
71	I	A	0.0000
72	S	A	-1.6215
73	D	A	-2.3711
74	L	A	0.0000
75	R	A	-1.4019
76	V	A	0.2940
77	E	A	-0.9743
78	D	A	0.0000
79	S	A	0.0000
80	G	A	0.0000
81	T	A	-0.8166
82	Y	A	0.0000
83	H	A	-0.6593
84	C	A	0.0000
85	K	A	-0.6314
86	G	A	0.0000
87	D	A	0.6765
88	T	A	0.0000
89	L	A	1.5498
90	G	A	0.6711
91	C	A	0.5505
92	G	A	0.8658
93	L	A	1.9055
94	T	A	1.8042
95	V	A	2.6304
96	M	A	2.0942
97	S	A	1.1901
98	W	A	1.0758
99	N	A	0.4810
100	P	A	0.3257
101	G	A	0.8539
102	Y	A	1.2759
103	Y	A	1.1945
104	Y	A	-0.6324
105	E	A	-1.3013
106	G	A	0.0000
107	G	A	-1.3598
108	G	A	0.0000
109	T	A	0.0000
110	P	A	-0.5719
111	L	A	0.0000
112	T	A	-0.5643
113	V	A	-0.5399