Project name: 7363a9289a278c

Chain sequence(s)	A: GKITLYEDRGFQGRHYECSSDHPNLEPYLSRCNSARVDSGCWMLYEQPNYSGLQYFLRRGDYADHQQWMGLSDSVRSCRLIPHSGSHRIRLYEREDYRGQMIEFTEDCSCLQDRFRFNEIHSLNVLEGSWVLYELSNYRGRQYLLMPGDYRRYQDWGATNARVGSLRRVIDFS
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                                          (00:02:04)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:05)

• Minimal score value: -4.4548
• Maximal score value: 1.1196
• Average score: -1.302
• Total score value: -225.2377

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	G	A	-1.8120
2	K	A	-2.6696
3	I	A	0.0000
4	T	A	-1.8070
5	L	A	0.0000
6	Y	A	-2.1883
7	E	A	-2.6291
8	D	A	-3.5594
9	R	A	-2.8591
10	G	A	-1.7995
11	F	A	-1.8097
12	Q	A	-2.7895
13	G	A	-2.8805
14	R	A	-2.9013
15	H	A	-2.3377
16	Y	A	-1.2095
17	E	A	-2.1414
18	C	A	0.0000
19	S	A	-1.5460
20	S	A	-1.4616
21	D	A	-1.7087
22	H	A	-1.4596
23	P	A	-1.8284
24	N	A	-2.0277
25	L	A	0.0000
26	E	A	-2.3675
27	P	A	-0.9711
28	Y	A	-0.7957
29	L	A	0.0000
30	S	A	-1.7341
31	R	A	-2.6334
32	C	A	0.0000
33	N	A	0.0000
34	S	A	0.0000
35	A	A	0.0000
36	R	A	-2.7054
37	V	A	0.0000
38	D	A	-3.5553
39	S	A	-2.1146
40	G	A	-1.3283
41	C	A	0.0000
42	W	A	0.0000
43	M	A	0.0000
44	L	A	0.0000
45	Y	A	0.0000
46	E	A	-1.6840
47	Q	A	-2.2136
48	P	A	-2.0722
49	N	A	-1.8892
50	Y	A	-1.3173
51	S	A	-1.1943
52	G	A	-1.1894
53	L	A	-0.3963
54	Q	A	-0.3875
55	Y	A	0.0000
56	F	A	0.0000
57	L	A	0.0000
58	R	A	-1.9812
59	R	A	-3.2622
60	G	A	-2.6043
61	D	A	-3.0949
62	Y	A	-2.1751
63	A	A	-2.0328
64	D	A	-2.3281
65	H	A	-2.1083
66	Q	A	-2.0289
67	Q	A	-2.1899
68	W	A	0.0000
69	M	A	-1.0090
70	G	A	-0.9741
71	L	A	0.1826
72	S	A	-0.8452
73	D	A	-2.0370
74	S	A	-1.6572
75	V	A	0.0000
76	R	A	-2.2719
77	S	A	0.0000
78	C	A	0.0000
79	R	A	-0.9671
80	L	A	-0.6631
81	I	A	0.0000
82	P	A	-0.6395
83	H	A	-1.0031
84	S	A	-1.1384
85	G	A	-1.0006
86	S	A	-1.2950
87	H	A	0.0000
88	R	A	-2.1832
89	I	A	0.0000
90	R	A	-1.0774
91	L	A	0.0000
92	Y	A	-1.9144
93	E	A	-2.4133
94	R	A	-3.7200
95	E	A	-4.1555
96	D	A	-3.7826
97	Y	A	-3.0054
98	R	A	-3.4335
99	G	A	-2.3505
100	Q	A	-1.4883
101	M	A	-0.6689
102	I	A	-0.4174
103	E	A	-0.9366
104	F	A	0.0000
105	T	A	-1.9571
106	E	A	-2.5908
107	D	A	-1.8273
108	C	A	0.0000
109	S	A	-1.5538
110	C	A	-1.4248
111	L	A	0.0000
112	Q	A	-2.7121
113	D	A	-3.2752
114	R	A	-3.1258
115	F	A	-2.2701
116	R	A	-2.8197
117	F	A	-2.0242
118	N	A	-1.9663
119	E	A	-2.8369
120	I	A	0.0000
121	H	A	-3.1327
122	S	A	0.0000
123	L	A	0.0000
124	N	A	-1.4908
125	V	A	0.0000
126	L	A	-0.5746
127	E	A	-1.5694
128	G	A	0.0000
129	S	A	0.0000
130	W	A	0.0000
131	V	A	0.0000
132	L	A	0.0000
133	Y	A	0.0000
134	E	A	-1.3203
135	L	A	-0.6442
136	S	A	-1.0838
137	N	A	-1.4584
138	Y	A	-1.0566
139	R	A	-1.6928
140	G	A	0.0000
141	R	A	-0.9234
142	Q	A	0.0000
143	Y	A	0.0000
144	L	A	0.0963
145	L	A	0.0000
146	M	A	-0.0136
147	P	A	-0.7046
148	G	A	-1.0454
149	D	A	-2.6866
150	Y	A	-2.9576
151	R	A	-4.4548
152	R	A	-4.1538
153	Y	A	-2.6495
154	Q	A	-2.6263
155	D	A	-3.0101
156	W	A	0.0000
157	G	A	-1.6366
158	A	A	0.0000
159	T	A	-1.2758
160	N	A	-2.1934
161	A	A	0.0000
162	R	A	-2.0672
163	V	A	0.0000
164	G	A	0.0000
165	S	A	0.0000
166	L	A	0.0000
167	R	A	-1.0065
168	R	A	-1.3709
169	V	A	0.0000
170	I	A	-0.1181
171	D	A	-0.2083
172	F	A	1.1196
173	S	A	-0.2973