Project name: 5120020c9c3c76b0d0099cb64c7fe97f

Chain sequence(s)	B: HAVEAAIARAEETLETDGAAVAEAAATEGIKAANKLAAEVIAAVWDLIRAAFPDPADPTFQRLYARLTALTAEAIAHKDDAEKLVEVTERIVELGREAIAAARALGSGC
Selected Chain(s)	B
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 B 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                                          (00:01:34)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:34)

• Minimal score value: -3.9267
• Maximal score value: 0.9695
• Average score: -1.3182
• Total score value: -143.6867

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	H	B	-1.3952
2	A	B	-0.7179
3	V	B	-1.4027
4	E	B	-2.3692
5	A	B	-1.5208
6	A	B	0.0000
7	I	B	-2.1585
8	A	B	-2.1782
9	R	B	-3.4292
10	A	B	0.0000
11	E	B	-3.8114
12	E	B	-3.8977
13	T	B	-2.7325
14	L	B	0.0000
15	E	B	-3.1797
16	T	B	-1.8674
17	D	B	-1.5695
18	G	B	-1.9594
19	A	B	-1.1965
20	A	B	-0.9408
21	V	B	0.0000
22	A	B	-1.7681
23	E	B	-2.0882
24	A	B	-1.9410
25	A	B	-1.6898
26	A	B	-1.3054
27	T	B	-1.4284
28	E	B	-2.4765
29	G	B	-1.8793
30	I	B	-2.2168
31	K	B	-2.8467
32	A	B	-2.1252
33	A	B	0.0000
34	N	B	-1.8907
35	K	B	-2.3845
36	L	B	-1.3498
37	A	B	0.0000
38	A	B	-0.9775
39	E	B	-1.3705
40	V	B	0.0000
41	I	B	-0.0579
42	A	B	-0.3817
43	A	B	-1.2894
44	V	B	0.0000
45	W	B	-0.5052
46	D	B	-1.5630
47	L	B	0.0000
48	I	B	0.0000
49	R	B	-1.7890
50	A	B	-1.1844
51	A	B	0.0000
52	F	B	0.0000
53	P	B	-1.6864
54	D	B	-2.5646
55	P	B	-1.7475
56	A	B	-1.2954
57	D	B	-1.9426
58	P	B	-1.5906
59	T	B	-1.4105
60	F	B	0.0000
61	Q	B	-2.4385
62	R	B	-2.7300
63	L	B	0.0000
64	Y	B	-0.9697
65	A	B	-1.4003
66	R	B	-2.2088
67	L	B	0.0000
68	T	B	-0.4603
69	A	B	-0.5063
70	L	B	0.0000
71	T	B	0.0317
72	A	B	0.0094
73	E	B	-0.5130
74	A	B	0.0000
75	I	B	0.9695
76	A	B	-0.1906
77	H	B	-1.7618
78	K	B	-2.1567
79	D	B	-2.9544
80	D	B	-2.4296
81	A	B	-2.5960
82	E	B	-3.2129
83	K	B	-3.5221
84	L	B	0.0000
85	V	B	-2.7320
86	E	B	-3.5575
87	V	B	0.0000
88	T	B	0.0000
89	E	B	-3.7044
90	R	B	-3.6600
91	I	B	0.0000
92	V	B	0.0000
93	E	B	-3.9267
94	L	B	0.0000
95	G	B	0.0000
96	R	B	-3.7521
97	E	B	-3.3435
98	A	B	0.0000
99	I	B	0.0000
100	A	B	-1.4624
101	A	B	-1.0049
102	A	B	0.0000
103	R	B	-1.9406
104	A	B	-0.3897
105	L	B	0.5461
106	G	B	-0.5516
107	S	B	-0.4698
108	G	B	-0.1754
109	C	B	0.5514