Project name: H93N

Chain sequence(s)	D: VHLTPEEKSAVTALWGKVNVDEVGGEALGRLLVVYPWTQRFFESFGDLSTPDAVMGNPKVKAHGKKVLGAFSDGLAHLDNLKGTFATLSELNCDKLHVDPENFRLLGNVLVCVLAHHFGKEFTPPVQAAYQKVVAGVANALAHKYH
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]                                                (00:00:00)
[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 D 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                                          (00:02:52)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:53)

• Minimal score value: -3.2572
• Maximal score value: 1.9853
• Average score: -1.0457
• Total score value: -152.6732

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	0.5181
3	H	D	-0.7023
4	L	D	0.0000
5	T	D	-1.3388
6	P	D	-1.6918
7	E	D	-2.4367
8	E	D	-1.9764
9	K	D	-1.8526
10	S	D	-1.4267
11	A	D	-1.0226
12	V	D	0.0000
13	T	D	-0.6373
14	A	D	-0.6302
15	L	D	0.0000
16	W	D	-0.5594
17	G	D	-1.1717
18	K	D	-1.8477
19	V	D	0.0000
20	N	D	-1.8192
21	V	D	-0.7533
22	D	D	-2.7555
23	E	D	-2.9118
24	V	D	0.0000
25	G	D	0.0000
26	G	D	0.0000
27	E	D	-1.5246
28	A	D	0.0000
29	L	D	0.0000
30	G	D	0.0000
31	R	D	0.1651
32	L	D	0.0000
33	L	D	0.0000
34	V	D	0.9254
35	V	D	1.9853
36	Y	D	1.2480
37	P	D	0.3479
38	W	D	0.3152
39	T	D	0.0000
40	Q	D	-1.0858
41	R	D	-1.9265
42	F	D	-0.5346
43	F	D	-1.3108
44	E	D	-2.4931
45	S	D	-1.5352
46	F	D	-1.3921
47	G	D	-1.9860
48	D	D	-2.7004
49	L	D	0.0000
50	S	D	-1.1050
51	T	D	-1.0478
52	P	D	-0.8772
53	D	D	-2.0995
54	A	D	-1.5782
55	V	D	0.0000
56	M	D	-1.0414
57	G	D	-1.5134
58	N	D	0.0000
59	P	D	-1.4192
60	K	D	-1.9465
61	V	D	0.0000
62	K	D	-2.6335
63	A	D	-2.1676
64	H	D	-1.7039
65	G	D	0.0000
66	K	D	-2.6509
67	K	D	-2.2421
68	V	D	-0.8451
69	L	D	0.0000
70	G	D	-1.2179
71	A	D	-0.9428
72	F	D	0.0000
73	S	D	-0.7614
74	D	D	-1.6194
75	G	D	0.0000
76	L	D	-0.8702
77	A	D	-1.0110
78	H	D	-2.0824
79	L	D	-1.6694
80	D	D	-2.6107
81	N	D	-2.8596
82	L	D	0.0000
83	K	D	-2.9258
84	G	D	-1.9888
85	T	D	-1.5798
86	F	D	0.0000
87	A	D	-1.0953
88	T	D	-0.5566
89	L	D	-0.4847
90	S	D	0.0000
91	E	D	-2.5049
92	L	D	-1.1850
93	N	D	-1.4681
94	C	D	0.0000
95	D	D	-3.2572
96	K	D	-2.5553
97	L	D	-1.1599
98	H	D	-1.9919
99	V	D	-1.7437
100	D	D	-2.6189
101	P	D	-2.4232
102	E	D	-2.9501
103	N	D	0.0000
104	F	D	0.0000
105	R	D	-2.8916
106	L	D	-1.1004
107	L	D	-0.7843
108	G	D	0.0000
109	N	D	-1.2449
110	V	D	0.0000
111	L	D	0.0000
112	V	D	0.0000
113	C	D	-0.2150
114	V	D	0.0000
115	L	D	0.0000
116	A	D	-1.3034
117	H	D	-1.5624
118	H	D	-1.9058
119	F	D	-1.9295
120	G	D	-2.3121
121	K	D	-2.9943
122	E	D	-2.8896
123	F	D	0.0000
124	T	D	-1.3744
125	P	D	-0.9362
126	P	D	-0.7445
127	V	D	-1.0154
128	Q	D	-1.0151
129	A	D	-0.6835
130	A	D	0.0000
131	Y	D	0.0000
132	Q	D	-1.2114
133	K	D	-0.7374
134	V	D	0.0000
135	V	D	0.0000
136	A	D	-0.9592
137	G	D	-0.7479
138	V	D	0.0000
139	A	D	0.0000
140	N	D	-2.1982
141	A	D	0.0000
142	L	D	-1.3664
143	A	D	0.0000
144	H	D	-2.4867
145	K	D	-2.8545
146	Y	D	-1.9981
147	H	D	-1.6876