Project name: F43S

Chain sequence(s)	D: VHLTPEEKSAVTALWGKVNVDEVGGEALGRLLVVYPWTQRFSESFGDLSTPDAVMGNPKVKAHGKKVLGAFSDGLAHLDNLKGTFATLSELHCDKLHVDPENFRLLGNVLVCVLAHHFGKEFTPPVQAAYQKVVAGVANALAHKYH
Selected Chain(s)	D
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 D 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                                          (00:02:55)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:56)

• Minimal score value: -3.2414
• Maximal score value: 2.0112
• Average score: -1.0083
• Total score value: -147.2076

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
2	V	D	0.5537
3	H	D	-0.6738
4	L	D	0.0000
5	T	D	-1.3350
6	P	D	-1.6827
7	E	D	-2.4549
8	E	D	-1.9981
9	K	D	-1.8623
10	S	D	-1.4352
11	A	D	-1.0439
12	V	D	0.0000
13	T	D	-0.6248
14	A	D	-0.5920
15	L	D	0.0000
16	W	D	-0.5125
17	G	D	-1.1373
18	K	D	-1.7862
19	V	D	-1.3044
20	N	D	-1.8075
21	V	D	-0.7814
22	D	D	-2.6087
23	E	D	-2.8339
24	V	D	0.0000
25	G	D	0.0000
26	G	D	0.0000
27	E	D	-1.4779
28	A	D	0.0000
29	L	D	0.0000
30	G	D	0.0000
31	R	D	0.1911
32	L	D	0.0000
33	L	D	0.0000
34	V	D	0.9815
35	V	D	2.0112
36	Y	D	1.2661
37	P	D	0.3669
38	W	D	0.3909
39	T	D	0.0000
40	Q	D	-1.0364
41	R	D	-1.8280
42	F	D	-0.2502
43	S	D	-1.3999
44	E	D	-2.5081
45	S	D	-1.5463
46	F	D	-1.4105
47	G	D	-2.0092
48	D	D	-2.7188
49	L	D	0.0000
50	S	D	-1.1029
51	T	D	-1.0377
52	P	D	-0.8529
53	D	D	-2.0816
54	A	D	-1.5643
55	V	D	0.0000
56	M	D	-0.9836
57	G	D	-1.4845
58	N	D	0.0000
59	P	D	-1.4206
60	K	D	-1.9931
61	V	D	0.0000
62	K	D	-2.5829
63	A	D	-2.1827
64	H	D	-1.8787
65	G	D	0.0000
66	K	D	-2.5471
67	K	D	-2.2167
68	V	D	-0.8381
69	L	D	0.0000
70	G	D	-1.1461
71	A	D	-0.8898
72	F	D	0.0000
73	S	D	-0.7769
74	D	D	-1.6445
75	G	D	0.0000
76	L	D	-0.8756
77	A	D	-1.0300
78	H	D	-2.0729
79	L	D	-1.6409
80	D	D	-2.5781
81	N	D	-2.7906
82	L	D	0.0000
83	K	D	-2.6784
84	G	D	-1.8668
85	T	D	-1.5047
86	F	D	0.0000
87	A	D	-1.0475
88	T	D	-0.5649
89	L	D	-0.5260
90	S	D	0.0000
91	E	D	-2.6116
92	L	D	-1.2535
93	H	D	-1.4791
94	C	D	0.0000
95	D	D	-3.2414
96	K	D	-2.5372
97	L	D	-0.9777
98	H	D	-1.9409
99	V	D	0.0000
100	D	D	-2.6885
101	P	D	-2.4944
102	E	D	-3.0744
103	N	D	0.0000
104	F	D	0.0000
105	R	D	-2.9293
106	L	D	-1.1352
107	L	D	-0.8027
108	G	D	0.0000
109	N	D	-1.2598
110	V	D	0.0000
111	L	D	0.0000
112	V	D	0.0000
113	C	D	-0.1908
114	V	D	0.0000
115	L	D	0.0000
116	A	D	-1.1082
117	H	D	-1.5204
118	H	D	-1.7363
119	F	D	-1.5385
120	G	D	-1.9689
121	K	D	-2.5247
122	E	D	-1.9863
123	F	D	-1.3526
124	T	D	-1.0766
125	P	D	-0.8501
126	P	D	-0.8040
127	V	D	0.0000
128	Q	D	-0.9362
129	A	D	-0.6783
130	A	D	0.0000
131	Y	D	0.0000
132	Q	D	-1.1567
133	K	D	-0.5805
134	V	D	0.0000
135	V	D	0.0000
136	A	D	-0.9051
137	G	D	-0.6642
138	V	D	0.0000
139	A	D	0.0000
140	N	D	-2.1446
141	A	D	0.0000
142	L	D	-1.3091
143	A	D	0.0000
144	H	D	-2.4005
145	K	D	-2.6990
146	Y	D	-1.7787
147	H	D	-1.5720