Project name: 77f7ac7545808fe00f1c4a50b922f4f1

Chain sequence(s)	B: CGSGQPPAIPTGPGVDLSGLSPEQKKLHEEVKELVREVGRLERKAWASTDPEERLRAAEEAVELAEEAVELAKEVGNPGTIAYVEAVLAYAEWLLELVEAGTLP
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                                          (00:02:15)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:16)

• Minimal score value: -4.2645
• Maximal score value: 2.0957
• Average score: -1.4541
• Total score value: -151.2225

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	C	B	0.3899
2	G	B	-0.7427
3	S	B	-0.8813
4	G	B	-1.4118
5	Q	B	-1.5710
6	P	B	-0.6189
7	P	B	0.0523
8	A	B	0.8672
9	I	B	2.0957
10	P	B	0.6969
11	T	B	0.1626
12	G	B	-0.2403
13	P	B	-0.7534
14	G	B	-0.6045
15	V	B	0.0196
16	D	B	-1.4239
17	L	B	-0.6266
18	S	B	-0.6766
19	G	B	-0.8605
20	L	B	-1.2082
21	S	B	-1.3234
22	P	B	-1.9729
23	E	B	-3.0289
24	Q	B	-2.8851
25	K	B	-3.0097
26	K	B	-3.8202
27	L	B	-3.3329
28	H	B	0.0000
29	E	B	-4.2645
30	E	B	-3.9668
31	V	B	0.0000
32	K	B	-3.6574
33	E	B	-4.0682
34	L	B	-3.1980
35	V	B	-2.9007
36	R	B	-3.8100
37	E	B	-3.5635
38	V	B	0.0000
39	G	B	-2.8026
40	R	B	-3.7260
41	L	B	0.0000
42	E	B	-2.6336
43	R	B	-3.1941
44	K	B	-2.9069
45	A	B	0.0000
46	W	B	-0.7881
47	A	B	-1.1172
48	S	B	0.0000
49	T	B	-1.4506
50	D	B	-2.7568
51	P	B	-2.7504
52	E	B	-3.3234
53	E	B	-3.4296
54	R	B	-2.9680
55	L	B	-2.7681
56	R	B	-2.8997
57	A	B	0.0000
58	A	B	0.0000
59	E	B	-2.4839
60	E	B	-2.9214
61	A	B	0.0000
62	V	B	-2.3049
63	E	B	-3.4179
64	L	B	-2.5534
65	A	B	0.0000
66	E	B	-3.9676
67	E	B	-3.5240
68	A	B	0.0000
69	V	B	0.0000
70	E	B	-3.7933
71	L	B	-2.8020
72	A	B	0.0000
73	K	B	-3.0282
74	E	B	-2.9457
75	V	B	0.0000
76	G	B	-1.4978
77	N	B	0.0000
78	P	B	-0.5848
79	G	B	-0.3231
80	T	B	0.0000
81	I	B	-0.6346
82	A	B	0.0455
83	Y	B	0.7719
84	V	B	0.0000
85	E	B	-1.4434
86	A	B	0.2413
87	V	B	0.1543
88	L	B	-1.0602
89	A	B	-0.2825
90	Y	B	-0.1577
91	A	B	0.0000
92	E	B	-1.6889
93	W	B	-1.3381
94	L	B	0.0000
95	L	B	-1.7988
96	E	B	-2.6189
97	L	B	-1.6070
98	V	B	-1.7994
99	E	B	-2.3597
100	A	B	-1.4463
101	G	B	-1.2435
102	T	B	-0.9079
103	L	B	0.0000
104	P	B	-0.2478