Project name: 422c2a492bab6863737e6c5b81f7b362

Chain sequence(s)	B: CGSGHAVPVPDSADPAAVAAYWAIDAEYGGEAAALAREARRVARETGDAVEHAELRIEAYETLIVGLEEAIEVLEAAGDEATVAELEALIASAEADIAWLEEALELAEAGELKASESPYASLPA
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]                                                (00:00:02)
[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 B 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                                          (00:02:22)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:23)

• Minimal score value: -3.8395
• Maximal score value: 1.2744
• Average score: -1.1971
• Total score value: -148.4365

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	0.3674
2	G	B	-0.5639
3	S	B	-0.7560
4	G	B	-0.7309
5	H	B	-0.6286
6	A	B	0.1572
7	V	B	0.8781
8	P	B	0.0000
9	V	B	1.2744
10	P	B	0.0000
11	D	B	-1.7309
12	S	B	-1.4449
13	A	B	-0.8756
14	D	B	-1.1980
15	P	B	-0.7047
16	A	B	-0.1313
17	A	B	0.0000
18	V	B	0.2048
19	A	B	0.2553
20	A	B	0.2822
21	Y	B	0.0000
22	W	B	0.5177
23	A	B	-0.1148
24	I	B	-0.5686
25	D	B	-0.9665
26	A	B	-1.2659
27	E	B	-2.2690
28	Y	B	-1.4408
29	G	B	-0.9070
30	G	B	-1.7669
31	E	B	-2.5195
32	A	B	0.0000
33	A	B	-1.0509
34	A	B	-1.4433
35	L	B	-1.7874
36	A	B	-1.9334
37	R	B	-2.9934
38	E	B	-2.4788
39	A	B	0.0000
40	R	B	-3.6240
41	R	B	-3.8395
42	V	B	0.0000
43	A	B	0.0000
44	R	B	-3.8098
45	E	B	-3.6151
46	T	B	-2.3460
47	G	B	-2.2958
48	D	B	-1.7515
49	A	B	-0.8198
50	V	B	-1.1511
51	E	B	-1.8205
52	H	B	0.0000
53	A	B	0.0000
54	E	B	-2.4543
55	L	B	-2.0657
56	R	B	-1.9262
57	I	B	-2.1537
58	E	B	-2.3178
59	A	B	0.0000
60	Y	B	-1.3502
61	E	B	-1.8836
62	T	B	-1.0602
63	L	B	-0.5717
64	I	B	-0.6599
65	V	B	0.3905
66	G	B	0.0000
67	L	B	0.0000
68	E	B	-2.2010
69	E	B	-1.9656
70	A	B	0.0000
71	I	B	-2.5226
72	E	B	-2.9206
73	V	B	-1.4467
74	L	B	0.0000
75	E	B	-2.9200
76	A	B	-1.6050
77	A	B	-1.4018
78	G	B	-2.0989
79	D	B	0.0000
80	E	B	-2.7651
81	A	B	-1.6105
82	T	B	0.0000
83	V	B	0.0000
84	A	B	-1.8216
85	E	B	-1.7246
86	L	B	0.0000
87	E	B	-2.2635
88	A	B	-1.2908
89	L	B	-0.5608
90	I	B	-1.2210
91	A	B	-1.1218
92	S	B	-0.9773
93	A	B	0.0000
94	E	B	-2.0882
95	A	B	-1.2782
96	D	B	-1.6933
97	I	B	-2.0303
98	A	B	-1.3391
99	W	B	-1.1385
100	L	B	0.0000
101	E	B	-2.7537
102	E	B	-3.1184
103	A	B	0.0000
104	L	B	-2.5577
105	E	B	-3.3422
106	L	B	-2.7022
107	A	B	-2.3823
108	E	B	-2.7512
109	A	B	-1.8960
110	G	B	-2.1585
111	E	B	-2.7974
112	L	B	-2.3225
113	K	B	-2.2695
114	A	B	-1.1011
115	S	B	-0.9116
116	E	B	-1.4225
117	S	B	-0.4227
118	P	B	0.0000
119	Y	B	0.1543
120	A	B	0.2135
121	S	B	0.0578
122	L	B	-0.2692
123	P	B	-0.2639
124	A	B	0.0471