Project name: 9f16abcfc07da61

Chain sequence(s)	A: MSHHHHHHSGMKVVLELKDSYPSSSDLPKKKVVFDVKPISEMSGEEFAEKMKKILDFIYEVMSTDPRMTEKDLEKLKKQIDYYKEDIEKRAKTGKVEEMNAAAREVYNFAEQMMWDASYRGHSISVDKFYDIMAVVDKYLETPENDLNS
Selected Chain(s)	A
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 A chain(s) selected             (00:00:00)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:00)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:01)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:06:28)
[INFO]       Main:     Simulation completed successfully.                                          (00:06:29)

• Minimal score value: -4.0695
• Maximal score value: 1.0138
• Average score: -1.3601
• Total score value: -202.6566

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	M	A	0.5581
2	S	A	-0.6199
3	H	A	-1.7414
4	H	A	-2.3411
5	H	A	-2.7425
6	H	A	-2.7441
7	H	A	-2.5170
8	H	A	-2.1281
9	S	A	-1.6497
10	G	A	-1.6287
11	M	A	-1.1718
12	K	A	-1.6461
13	V	A	-0.3755
14	V	A	0.1739
15	L	A	0.0000
16	E	A	-2.1957
17	L	A	0.0000
18	K	A	-2.1052
19	D	A	-1.3516
20	S	A	-0.1148
21	Y	A	0.7799
22	P	A	-0.0596
23	S	A	-0.2798
24	S	A	-0.5173
25	S	A	-1.1475
26	D	A	-1.7571
27	L	A	-0.6893
28	P	A	-1.4602
29	K	A	-2.5446
30	K	A	-3.0005
31	K	A	-2.3791
32	V	A	-0.5889
33	V	A	0.5801
34	F	A	0.0000
35	D	A	-2.0681
36	V	A	0.0000
37	K	A	-2.2004
38	P	A	-1.3395
39	I	A	0.0000
40	S	A	-1.5691
41	E	A	-2.2241
42	M	A	-1.8216
43	S	A	-2.0680
44	G	A	-3.2531
45	E	A	-3.7753
46	E	A	-3.5111
47	F	A	0.0000
48	A	A	0.0000
49	E	A	-3.6527
50	K	A	-2.5852
51	M	A	0.0000
52	K	A	-2.8202
53	K	A	-2.3076
54	I	A	0.0000
55	L	A	0.0000
56	D	A	-2.8323
57	F	A	0.0000
58	I	A	0.0000
59	Y	A	-1.1406
60	E	A	-1.4229
61	V	A	0.0000
62	M	A	0.0000
63	S	A	-0.8038
64	T	A	-0.5868
65	D	A	0.0000
66	P	A	-1.1962
67	R	A	-2.3045
68	M	A	-1.6736
69	T	A	-2.3821
70	E	A	-3.4406
71	K	A	-3.6882
72	D	A	-3.0783
73	L	A	-2.7883
74	E	A	-4.0695
75	K	A	-3.9907
76	L	A	0.0000
77	K	A	-3.5319
78	K	A	-3.2341
79	Q	A	-2.1543
80	I	A	0.0000
81	D	A	-2.8868
82	Y	A	-0.9148
83	Y	A	-1.4880
84	K	A	-2.8170
85	E	A	-2.9290
86	D	A	-2.4153
87	I	A	0.0000
88	E	A	-3.6867
89	K	A	-3.5913
90	R	A	-3.0445
91	A	A	0.0000
92	K	A	-3.4654
93	T	A	-2.3809
94	G	A	-2.4373
95	K	A	-2.4403
96	V	A	-1.6903
97	E	A	-2.5486
98	E	A	-2.6868
99	M	A	0.0000
100	N	A	0.0000
101	A	A	-1.5494
102	A	A	0.0000
103	A	A	0.0000
104	R	A	-2.4766
105	E	A	-1.8332
106	V	A	0.0000
107	Y	A	-1.6779
108	N	A	-2.3022
109	F	A	0.0000
110	A	A	0.0000
111	E	A	-1.2328
112	Q	A	-1.5643
113	M	A	-0.5277
114	M	A	0.0000
115	W	A	0.1990
116	D	A	-0.0896
117	A	A	0.0000
118	S	A	0.1166
119	Y	A	1.0138
120	R	A	-0.3684
121	G	A	-0.4582
122	H	A	-0.6850
123	S	A	-0.5525
124	I	A	-0.6911
125	S	A	0.0000
126	V	A	-0.5136
127	D	A	-1.6044
128	K	A	-1.2377
129	F	A	0.0000
130	Y	A	0.0510
131	D	A	-0.9798
132	I	A	0.0000
133	M	A	-0.7639
134	A	A	-0.6106
135	V	A	0.0000
136	V	A	0.0000
137	D	A	-1.9708
138	K	A	-1.5643
139	Y	A	0.0000
140	L	A	-1.3195
141	E	A	-1.4982
142	T	A	-1.3903
143	P	A	-2.1872
144	E	A	-3.0746
145	N	A	-2.8415
146	D	A	-2.7375
147	L	A	-0.7335
148	N	A	-1.6633
149	S	A	-0.9946