Project name: 6cfa97aad4e3a96

Chain sequence(s)	A: TSQVRQNYHQDSEAAINRQINLELYASYVYLSMSYYFDRDDVALKNFAKYFLHQSHEEREHAEKLMKLQNQRGGRIFLQDIQKPDCDDWESGLNAMECALHLEKNVNQSLLELHKLATDKNDPHLCDFIETHYLNEQVKAIKELGDHVTNLRKMGAPESGLAEYLFDKHTLG
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                                          (00:04:06)
[INFO]       Main:     Simulation completed successfully.                                          (00:04:07)

• Minimal score value: -3.5888
• Maximal score value: 2.0356
• Average score: -1.127
• Total score value: -193.8495

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
5	T	A	-0.4954
6	S	A	-0.9722
7	Q	A	-0.9563
8	V	A	-0.2536
9	R	A	-1.4708
10	Q	A	-1.9770
11	N	A	-2.6131
12	Y	A	0.0000
13	H	A	-2.4416
14	Q	A	-2.4769
15	D	A	-2.4485
16	S	A	0.0000
17	E	A	-1.5255
18	A	A	-1.2236
19	A	A	-1.3291
20	I	A	0.0000
21	N	A	-0.2494
22	R	A	-1.0712
23	Q	A	0.0000
24	I	A	0.0000
25	N	A	-0.5146
26	L	A	-0.3098
27	E	A	0.0000
28	L	A	-0.5403
29	Y	A	-0.1159
30	A	A	0.0000
31	S	A	0.0000
32	Y	A	0.3564
33	V	A	0.0000
34	Y	A	0.0000
35	L	A	0.8577
36	S	A	0.0449
37	M	A	0.0000
38	S	A	0.0000
39	Y	A	0.3094
40	Y	A	0.0000
41	F	A	0.0000
42	D	A	-2.8577
43	R	A	-2.9395
44	D	A	-3.3729
45	D	A	-3.0031
46	V	A	-1.9802
47	A	A	-1.8390
48	L	A	-1.6745
49	K	A	-2.3821
50	N	A	-1.7742
51	F	A	0.0000
52	A	A	0.0000
53	K	A	-1.7365
54	Y	A	-0.9152
55	F	A	0.0000
56	L	A	-0.4724
57	H	A	-1.6621
58	Q	A	-1.5605
59	S	A	0.0000
60	H	A	-2.3754
61	E	A	-2.8852
62	E	A	0.0000
63	R	A	-2.7733
64	E	A	-3.5888
65	H	A	0.0000
66	A	A	0.0000
67	E	A	-3.3053
68	K	A	-2.6723
69	L	A	0.0000
70	M	A	-2.0556
71	K	A	-2.9715
72	L	A	0.0000
73	Q	A	0.0000
74	N	A	-2.6561
75	Q	A	-2.3598
76	R	A	-2.1135
77	G	A	0.0000
78	G	A	0.0000
79	R	A	-1.4016
80	I	A	0.4908
81	F	A	2.0356
82	L	A	1.2925
83	Q	A	-1.1541
84	D	A	-2.3009
85	I	A	-1.2136
86	Q	A	-2.4756
87	K	A	-2.8200
88	P	A	-1.9899
89	D	A	-2.8152
90	C	A	-2.4157
91	D	A	-3.3174
92	D	A	-3.3037
93	W	A	0.0000
94	E	A	-2.6469
95	S	A	-1.6813
96	G	A	0.0000
97	L	A	0.0000
98	N	A	-1.2913
99	A	A	0.0000
100	M	A	0.0000
101	E	A	-1.1819
102	C	A	-0.6871
103	A	A	0.0000
104	L	A	-1.3836
105	H	A	-1.7672
106	L	A	0.0000
107	E	A	0.0000
108	K	A	-2.1217
109	N	A	-2.3750
110	V	A	0.0000
111	N	A	-1.3737
112	Q	A	-2.0002
113	S	A	0.0000
114	L	A	0.0000
115	L	A	-1.3582
116	E	A	-2.3686
117	L	A	0.0000
118	H	A	-2.1169
119	K	A	-2.8526
120	L	A	-2.3300
121	A	A	0.0000
122	T	A	-2.4738
123	D	A	-2.9320
124	K	A	-3.0196
125	N	A	-2.7405
126	D	A	0.0000
127	P	A	-1.6175
128	H	A	-1.7792
129	L	A	0.0000
130	C	A	-1.8346
131	D	A	-2.4653
132	F	A	-1.3696
133	I	A	0.0000
134	E	A	-2.1333
135	T	A	-1.5086
136	H	A	-1.3422
137	Y	A	0.0000
138	L	A	-0.7970
139	N	A	-1.1520
140	E	A	-1.2225
141	Q	A	0.0000
142	V	A	-0.1272
143	K	A	-2.0004
144	A	A	-1.4516
145	I	A	-1.4259
146	K	A	-2.5128
147	E	A	-2.4850
148	L	A	0.0000
149	G	A	-1.8530
150	D	A	-2.0972
151	H	A	-1.7138
152	V	A	-1.6087
153	T	A	-1.5400
154	N	A	-1.5583
155	L	A	0.0000
156	R	A	-2.5376
157	K	A	-2.3602
158	M	A	-1.0502
159	G	A	-1.4227
160	A	A	0.0000
161	P	A	-1.6129
162	E	A	-2.0307
163	S	A	-0.7568
164	G	A	0.0131
165	L	A	1.5380
166	A	A	0.0000
167	E	A	0.2953
168	Y	A	1.0750
169	L	A	0.6289
170	F	A	0.0000
171	D	A	0.0000
172	K	A	-1.7209
173	H	A	-1.4515
174	T	A	-0.9118
175	L	A	-0.9980
176	G	A	-1.5168