Project name: 2d52ab7acafae5a

Chain sequence(s)	A: MSSSQNNNSSWIDWFLGIKGNQFLCRVPTDYVQDTFNQMGLEYFSEILDVILKPVIDSSSGLLYGDEKKWYGMIHARYIRSERGLIAMHRKYLRGDFGSCPNISCDRQNTLPVGLSAVWGKSTVKIHCPRCKSNFHPKSDTQLDGAMFGPSFPDIFFSMLPNLTSPLDDPRT
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                                        (00:00:00)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:01:25)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:26)

• Minimal score value: -3.0245
• Maximal score value: 2.0966
• Average score: -0.6204
• Total score value: -106.715

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	0.8625
2	S	A	-0.0546
3	S	A	-0.7022
4	S	A	-1.4308
5	Q	A	-2.6375
6	N	A	-3.0094
7	N	A	-2.4707
8	N	A	-2.5137
9	S	A	-1.5415
10	S	A	-0.8502
11	W	A	0.0000
12	I	A	0.0000
13	D	A	-0.8837
14	W	A	0.3247
15	F	A	0.0000
16	L	A	-0.5204
17	G	A	-0.5275
18	I	A	-0.2986
19	K	A	-1.9793
20	G	A	0.0000
21	N	A	0.0000
22	Q	A	-1.2649
23	F	A	0.0000
24	L	A	0.0000
25	C	A	0.0000
26	R	A	-1.4309
27	V	A	0.0000
28	P	A	-1.2800
29	T	A	-1.4349
30	D	A	-2.4142
31	Y	A	-1.3789
32	V	A	0.0000
33	Q	A	-1.9261
34	D	A	-1.2584
35	T	A	0.2904
36	F	A	1.7433
37	N	A	0.0000
38	Q	A	0.0000
39	M	A	1.3909
40	G	A	0.2544
41	L	A	0.2114
42	E	A	-0.2438
43	Y	A	1.3035
44	F	A	0.9260
45	S	A	-0.3463
46	E	A	-1.5290
47	I	A	-0.6551
48	L	A	-0.6861
49	D	A	-1.9927
50	V	A	-1.2696
51	I	A	0.0000
52	L	A	-0.5588
53	K	A	-1.3177
54	P	A	-1.0185
55	V	A	0.0174
56	I	A	0.5594
57	D	A	-1.3287
58	S	A	0.0000
59	S	A	0.1371
60	S	A	0.0247
61	G	A	-0.0896
62	L	A	1.2448
63	L	A	2.0966
64	Y	A	1.6679
65	G	A	0.2554
66	D	A	-0.4585
67	E	A	0.0000
68	K	A	-0.7040
69	K	A	-0.7207
70	W	A	0.0000
71	Y	A	0.0000
72	G	A	0.0000
73	M	A	0.1813
74	I	A	0.0000
75	H	A	0.0000
76	A	A	0.0000
77	R	A	-0.7500
78	Y	A	0.0000
79	I	A	0.0000
80	R	A	-1.9349
81	S	A	-1.9423
82	E	A	-2.6840
83	R	A	-2.2805
84	G	A	0.0000
85	L	A	0.0000
86	I	A	-0.1101
87	A	A	-0.6443
88	M	A	0.0000
89	H	A	0.0000
90	R	A	-0.8494
91	K	A	-0.9861
92	Y	A	-0.3083
93	L	A	0.1197
94	R	A	-1.6919
95	G	A	-1.3732
96	D	A	-1.4011
97	F	A	0.0000
98	G	A	-1.4938
99	S	A	-1.6186
100	C	A	0.0000
101	P	A	-1.1656
102	N	A	-0.9054
103	I	A	0.4412
104	S	A	-0.6363
105	C	A	0.0000
106	D	A	-2.7133
107	R	A	-3.0245
108	Q	A	-2.3660
109	N	A	-1.6356
110	T	A	0.0000
111	L	A	0.0000
112	P	A	0.0000
113	V	A	0.0000
114	G	A	0.0000
115	L	A	1.1849
116	S	A	0.7908
117	A	A	0.8938
118	V	A	1.5698
119	W	A	0.3894
120	G	A	-0.7861
121	K	A	-1.1308
122	S	A	-0.5494
123	T	A	-0.7689
124	V	A	0.0000
125	K	A	-0.6743
126	I	A	0.0000
127	H	A	-1.5034
128	C	A	0.0000
129	P	A	-1.8724
130	R	A	-2.9273
131	C	A	-1.8493
132	K	A	-2.4398
133	S	A	-1.7127
134	N	A	-1.3614
135	F	A	-1.1224
136	H	A	-1.7983
137	P	A	-2.0209
138	K	A	-2.4849
139	S	A	-2.4236
140	D	A	-2.8947
141	T	A	0.0000
142	Q	A	-1.9057
143	L	A	0.0000
144	D	A	-0.5581
145	G	A	0.0000
146	A	A	0.0000
147	M	A	0.0000
148	F	A	0.0000
149	G	A	0.3266
150	P	A	0.2255
151	S	A	-0.6834
152	F	A	0.0000
153	P	A	0.0000
154	D	A	-1.5260
155	I	A	-0.5661
156	F	A	0.0000
157	F	A	-0.0966
158	S	A	-0.3449
159	M	A	-0.4414
160	L	A	0.1969
161	P	A	-0.6804
162	N	A	-1.3855
163	L	A	-0.5877
164	T	A	-0.6152
165	S	A	-0.5890
166	P	A	-0.6222
167	L	A	0.1572
168	D	A	-1.6634
169	D	A	-1.6776
170	P	A	-1.5917
171	R	A	-2.2326
172	T	A	-1.1717