Project name: 86621a5a672bf05

Chain sequence(s)	A: MKYFSRMTKETSNPEKNNIVLMGRKTWDSIPAKFRPLPNRVNVVLSSQAKSDSNKFTGSIACDTFDSAIQEALQREGKVETVWVIGGYSIYKAALESEYIHRLYITRVLREYDCDTFFPEFDHHKFKKLVDPSVPSELQEEDGVQYR
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]                                                (00:00:01)
[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 A chain(s) selected             (00:00:01)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:01)
[INFO]       FoldX:    Starting FoldX energy minimization                                          (00:00:01)
[INFO]       Analysis: Starting Aggrescan4D on folded.pdb                                          (00:04:29)
[INFO]       Main:     Simulation completed successfully.                                          (00:04:30)

• Minimal score value: -3.7201
• Maximal score value: 1.9216
• Average score: -1.0071
• Total score value: -148.0445

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	0.4071
2	K	A	-1.0679
3	Y	A	-0.1184
4	F	A	0.2946
5	S	A	-0.8746
6	R	A	-1.4262
7	M	A	-0.8164
8	T	A	0.0000
9	K	A	-2.0448
10	E	A	-2.8043
11	T	A	-2.0200
12	S	A	-1.3159
13	N	A	-1.8757
14	P	A	-2.0824
15	E	A	-2.8607
16	K	A	-3.1060
17	N	A	-2.4562
18	N	A	0.0000
19	I	A	0.0000
20	V	A	0.0000
21	L	A	0.0000
22	M	A	0.0000
23	G	A	0.0000
24	R	A	-1.8518
25	K	A	-2.2252
26	T	A	-1.2106
27	W	A	0.0000
28	D	A	-1.8699
29	S	A	-1.1001
30	I	A	-0.3325
31	P	A	-0.2755
32	A	A	-0.4865
33	K	A	-0.9005
34	F	A	0.8611
35	R	A	-0.3156
36	P	A	-0.3928
37	L	A	0.0000
38	P	A	-0.7067
39	N	A	-1.8342
40	R	A	0.0000
41	V	A	-0.0052
42	N	A	0.0000
43	V	A	0.0000
44	V	A	0.0000
45	L	A	0.0000
46	S	A	0.0000
47	S	A	-1.4429
48	Q	A	-2.2102
49	A	A	0.0000
50	K	A	-2.6233
51	S	A	-2.0361
52	D	A	-2.2764
53	S	A	-2.2239
54	N	A	-2.5563
55	K	A	-2.6322
56	F	A	0.0000
57	T	A	-1.2611
58	G	A	-0.8747
59	S	A	-0.4306
60	I	A	0.3117
61	A	A	-1.0425
62	C	A	0.0000
63	D	A	-1.5881
64	T	A	-1.0100
65	F	A	-1.0152
66	D	A	-2.1317
67	S	A	-1.3765
68	A	A	0.0000
69	I	A	0.0000
70	Q	A	-1.8769
71	E	A	-1.4196
72	A	A	0.0000
73	L	A	-1.1797
74	Q	A	-2.2222
75	R	A	-2.6828
76	E	A	-3.1430
77	G	A	-2.7731
78	K	A	-3.5289
79	V	A	-2.2351
80	E	A	-2.1017
81	T	A	-0.5337
82	V	A	0.8375
83	W	A	0.4711
84	V	A	0.8422
85	I	A	0.6723
86	G	A	0.0000
87	G	A	0.0315
88	Y	A	0.6583
89	S	A	-0.0590
90	I	A	0.0000
91	Y	A	-0.0065
92	K	A	-1.0419
93	A	A	-1.0548
94	A	A	0.0000
95	L	A	-1.3366
96	E	A	-1.9755
97	S	A	-1.5687
98	E	A	-1.6342
99	Y	A	-0.0609
100	I	A	-0.4211
101	H	A	-1.2102
102	R	A	-1.3386
103	L	A	0.1093
104	Y	A	1.0973
105	I	A	1.4195
106	T	A	0.0242
107	R	A	-1.5290
108	V	A	-0.8816
109	L	A	-1.0247
110	R	A	-1.5258
111	E	A	-1.8409
112	Y	A	-0.6278
113	D	A	-1.6022
114	C	A	-0.4854
115	D	A	-1.2931
116	T	A	0.2759
117	F	A	1.9216
118	F	A	1.4583
119	P	A	0.0000
120	E	A	-1.5473
121	F	A	-1.7832
122	D	A	-2.3301
123	H	A	-2.9109
124	H	A	-2.8575
125	K	A	-2.8024
126	F	A	-2.3909
127	K	A	-2.5928
128	K	A	-1.7697
129	L	A	0.7046
130	V	A	1.6710
131	D	A	0.7156
132	P	A	0.2553
133	S	A	0.1009
134	V	A	0.2532
135	P	A	-0.6756
136	S	A	-1.0568
137	E	A	-2.1699
138	L	A	-1.5480
139	Q	A	-2.2314
140	E	A	-3.5601
141	E	A	-3.7201
142	D	A	-3.2399
143	G	A	-2.2992
144	V	A	-1.8126
145	Q	A	-2.2587
146	Y	A	-2.1166
147	R	A	-2.4414