Project name: 3829542bb04a56b

Chain sequence(s)	A: MKLLKVAAIAAIVFSGSALAGVVPQYGGGGNHGGGGNNSGPNSELNIYQYGGGNSALALQTDARNSDLTITQHGGGNGADVGQGSDDSSIDLTQRGFGNSATLDQWNGKNSEMTVKQFGGGNGAAVDQTASNSSVNVTQVGFGNNATAHQY
Selected Chain(s)	A
Distance of aggregation	10 Å
FoldX usage	Yes
pH calculations	No
alphaCutter usage	No
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 A chain(s) selected             (00:00:02)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:02)
[INFO]       FoldX:    Starting FoldX energy minimization                                          (00:00:02)
[INFO]       Analysis: Starting Aggrescan4D on folded.pdb                                          (00:01:43)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:45)

• Minimal score value: -3.6683
• Maximal score value: 2.6472
• Average score: -0.43
• Total score value: -64.9344

The table below lists A4D score for protein residues. Residues with A4D score > 0.0000 are marked by yellow rows.

residue index	residue name	chain	Aggrescan4D score	mutation
1	M	A	0.8375
2	K	A	-0.2311
3	L	A	1.4275
4	L	A	1.2296
5	K	A	-0.5015
6	V	A	0.1609
7	A	A	-0.3527
8	A	A	0.0836
9	I	A	0.1779
10	A	A	1.1812
11	A	A	0.0000
12	I	A	2.6472
13	V	A	0.0000
14	F	A	2.3186
15	S	A	0.0000
16	G	A	-0.0592
17	S	A	-0.0401
18	A	A	0.5502
19	L	A	1.6421
20	A	A	1.5142
21	G	A	1.8821
22	V	A	1.8698
23	V	A	1.1160
24	P	A	0.0728
25	Q	A	-0.7359
26	Y	A	0.4515
27	G	A	-0.7742
28	G	A	-0.7531
29	G	A	-1.1187
30	G	A	-1.6806
31	N	A	-2.1874
32	H	A	-2.0108
33	G	A	-1.6310
34	G	A	-1.2250
35	G	A	-1.4424
36	G	A	-1.7607
37	N	A	-2.3365
38	N	A	-2.4013
39	S	A	-2.1070
40	G	A	-1.9322
41	P	A	-2.7982
42	N	A	-3.3088
43	S	A	0.0000
44	E	A	-2.8059
45	L	A	0.0000
46	N	A	-0.0788
47	I	A	0.0000
48	Y	A	0.8715
49	Q	A	0.0000
50	Y	A	0.0335
51	G	A	-0.3366
52	G	A	-0.3432
53	G	A	-0.3591
54	N	A	0.0000
55	S	A	0.6486
56	A	A	0.0000
57	L	A	1.3430
58	A	A	0.0000
59	L	A	0.9549
60	Q	A	0.0000
61	T	A	-0.4867
62	D	A	-1.9692
63	A	A	0.0000
64	R	A	-3.6612
65	N	A	-3.6683
66	S	A	0.0000
67	D	A	-2.8355
68	L	A	0.0000
69	T	A	-0.8487
70	I	A	0.0000
71	T	A	-0.3782
72	Q	A	0.0000
73	H	A	-0.9180
74	G	A	-0.5603
75	G	A	-0.2769
76	G	A	-0.2701
77	N	A	0.0000
78	G	A	-0.2243
79	A	A	0.0000
80	D	A	-0.9872
81	V	A	0.0000
82	G	A	0.0000
83	Q	A	0.0000
84	G	A	-1.2960
85	S	A	0.0000
86	D	A	-2.8171
87	D	A	-3.0569
88	S	A	0.0000
89	S	A	-2.0332
90	I	A	0.0000
91	D	A	-1.3896
92	L	A	0.0000
93	T	A	0.0000
94	Q	A	0.0000
95	R	A	-1.0498
96	G	A	-0.0244
97	F	A	1.1780
98	G	A	0.1496
99	N	A	0.0000
100	S	A	-0.5964
101	A	A	0.0000
102	T	A	-0.7642
103	L	A	0.0000
104	D	A	-0.8912
105	Q	A	0.0000
106	W	A	-0.9601
107	N	A	-1.5149
108	G	A	0.0000
109	K	A	-2.9180
110	N	A	-2.9146
111	S	A	0.0000
112	E	A	-2.6973
113	M	A	0.0000
114	T	A	-1.2682
115	V	A	0.0000
116	K	A	-0.6056
117	Q	A	0.0000
118	F	A	0.8424
119	G	A	0.9026
120	G	A	0.9820
121	G	A	0.1845
122	N	A	0.0000
123	G	A	-0.7471
124	A	A	0.0000
125	A	A	-0.7498
126	V	A	0.0000
127	D	A	-0.9745
128	Q	A	0.0000
129	T	A	-0.6496
130	A	A	-0.8696
131	S	A	-1.8983
132	N	A	-2.4259
133	S	A	-1.4843
134	S	A	-1.5936
135	V	A	0.0000
136	N	A	-1.7148
137	V	A	0.0000
138	T	A	-0.0748
139	Q	A	0.0000
140	V	A	1.8745
141	G	A	1.4115
142	F	A	1.8805
143	G	A	0.0980
144	N	A	-0.4109
145	N	A	-1.4244
146	A	A	-0.7615
147	T	A	-0.6476
148	A	A	-0.9085
149	H	A	-1.1363
150	Q	A	-0.4226
151	Y	A	0.6360