Project name: 667fe999d505c56

Chain sequence(s)	A: MSHHHHHHSGVLAEFLSLVRQLEELMDKFYKVFRRWKGTKSTDDRDEIYTVLEKMKQSLNKMAALLKAENSDSEESGKTGMEDFFKAYKVPESTQKHVRDTMNEVGWDMIYYHPYFENDAPIRQLMTEIFKILVQNFEFDPRKSGMFIWDDGYSIKAWNNFKELQKKLNIPNS
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]                                                (00:00:01)
[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 minimalization                                        (00:00:01)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:07:41)
[INFO]       Main:     Simulation completed successfully.                                          (00:07:42)

• Minimal score value: -3.8873
• Maximal score value: 1.1235
• Average score: -1.3341
• Total score value: -230.7953

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	0.0967
2	S	A	-1.1139
3	H	A	-2.1335
4	H	A	-2.4293
5	H	A	-2.5951
6	H	A	-2.6806
7	H	A	-2.5144
8	H	A	-1.7737
9	S	A	-1.4712
10	G	A	-1.3002
11	V	A	-0.5672
12	L	A	-0.4365
13	A	A	-0.5642
14	E	A	-1.5576
15	F	A	0.0000
16	L	A	-0.7370
17	S	A	-1.4128
18	L	A	0.0000
19	V	A	0.0000
20	R	A	-3.2636
21	Q	A	-2.9154
22	L	A	0.0000
23	E	A	-3.7862
24	E	A	-3.8873
25	L	A	0.0000
26	M	A	0.0000
27	D	A	-2.9606
28	K	A	-2.5083
29	F	A	0.0000
30	Y	A	-1.6221
31	K	A	-2.4170
32	V	A	0.0000
33	F	A	0.0000
34	R	A	-3.4936
35	R	A	-3.8022
36	W	A	-3.4275
37	K	A	-3.1612
38	G	A	-2.5548
39	T	A	-2.4765
40	K	A	-2.9076
41	S	A	-2.3960
42	T	A	-2.0123
43	D	A	-2.9284
44	D	A	-3.1204
45	R	A	-2.5505
46	D	A	-2.3909
47	E	A	-2.3847
48	I	A	0.0000
49	Y	A	-1.3840
50	T	A	-1.5433
51	V	A	0.0000
52	L	A	0.0000
53	E	A	-2.8295
54	K	A	-2.7255
55	M	A	0.0000
56	K	A	-2.3138
57	Q	A	-2.7960
58	S	A	0.0000
59	L	A	0.0000
60	N	A	-1.7882
61	K	A	-1.7846
62	M	A	0.0000
63	A	A	0.0000
64	A	A	-1.0109
65	L	A	-0.8012
66	L	A	0.0000
67	K	A	-2.0837
68	A	A	-1.2623
69	E	A	-1.4220
70	N	A	-2.5963
71	S	A	-2.3278
72	D	A	-2.9344
73	S	A	-2.8299
74	E	A	-3.2882
75	E	A	-3.5009
76	S	A	-2.5535
77	G	A	-2.1891
78	K	A	-2.7768
79	T	A	-1.9800
80	G	A	-1.8668
81	M	A	0.0000
82	E	A	-2.1700
83	D	A	-2.3496
84	F	A	0.0000
85	F	A	0.0000
86	K	A	-2.7251
87	A	A	-1.5867
88	Y	A	-1.4231
89	K	A	-2.5852
90	V	A	0.0000
91	P	A	-2.1923
92	E	A	-2.9470
93	S	A	-2.1313
94	T	A	-2.0186
95	Q	A	-3.0169
96	K	A	-3.5447
97	H	A	-3.0294
98	V	A	0.0000
99	R	A	-2.6616
100	D	A	-3.3626
101	T	A	0.0000
102	M	A	0.0000
103	N	A	-2.0899
104	E	A	-2.1066
105	V	A	0.0000
106	G	A	0.0000
107	W	A	-0.0199
108	D	A	0.0000
109	M	A	0.0000
110	I	A	0.7609
111	Y	A	0.9635
112	Y	A	0.2807
113	H	A	-0.6195
114	P	A	-0.7174
115	Y	A	-0.4965
116	F	A	0.0000
117	E	A	-2.5668
118	N	A	-2.2718
119	D	A	-1.7500
120	A	A	-1.3397
121	P	A	-0.8697
122	I	A	0.0000
123	R	A	-1.8199
124	Q	A	-1.6325
125	L	A	0.0000
126	M	A	0.0000
127	T	A	-0.9558
128	E	A	-1.2122
129	I	A	0.0000
130	F	A	-0.3764
131	K	A	-1.2218
132	I	A	-0.8606
133	L	A	0.0000
134	V	A	-0.4658
135	Q	A	-1.3076
136	N	A	-1.1596
137	F	A	0.0000
138	E	A	-1.1274
139	F	A	0.0000
140	D	A	-1.8281
141	P	A	-1.5639
142	R	A	-2.6004
143	K	A	-2.6593
144	S	A	0.0000
145	G	A	-0.6419
146	M	A	-0.2903
147	F	A	0.3917
148	I	A	1.1060
149	W	A	1.1235
150	D	A	-0.7430
151	D	A	-0.3958
152	G	A	-0.0418
153	Y	A	0.8163
154	S	A	0.0000
155	I	A	0.2314
156	K	A	-1.2488
157	A	A	-0.4686
158	W	A	0.0390
159	N	A	-1.5822
160	N	A	-1.7785
161	F	A	-0.1505
162	K	A	-2.3868
163	E	A	-2.5892
164	L	A	-0.5414
165	Q	A	-1.4344
166	K	A	-2.8712
167	K	A	-1.9907
168	L	A	-0.1899
169	N	A	-1.3411
170	I	A	-0.2547
171	P	A	-0.8370
172	N	A	-1.8465
173	S	A	-0.7545