Project name: E67A

Chain sequence(s)	A: TSQVRQNYHQDSEAAINRQINLELYASYVYLSMSYYFDRDDVALKNFAKYFLHQSHEEREHAAKLMKLQNQRGGRIFLQDIQKPDCDDWESGLNAMECALHLEKNVNQSLLELHKLATDKNDPHLCDFIETHYLNEQVKAIKELGDHVTNLRKMGAPESGLAEYLFDKHTLG
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                                          (00:03:22)
[INFO]       Main:     Simulation completed successfully.                                          (00:03:23)

• Minimal score value: -3.3729
• Maximal score value: 2.0456
• Average score: -1.1172
• Total score value: -192.1529

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	-1.4706
10	Q	A	-1.9767
11	N	A	-2.6188
12	Y	A	0.0000
13	H	A	-2.4958
14	Q	A	-2.5526
15	D	A	-2.6010
16	S	A	0.0000
17	E	A	-1.5681
18	A	A	-1.2655
19	A	A	-1.3297
20	I	A	0.0000
21	N	A	-0.2248
22	R	A	-1.0360
23	Q	A	0.0000
24	I	A	0.0000
25	N	A	-0.5025
26	L	A	-0.2923
27	E	A	0.0000
28	L	A	-0.3697
29	Y	A	-0.1388
30	A	A	0.0000
31	S	A	0.0000
32	Y	A	0.3229
33	V	A	0.0000
34	Y	A	0.0000
35	L	A	0.8303
36	S	A	0.0318
37	M	A	0.0000
38	S	A	0.0000
39	Y	A	0.3032
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	-1.7743
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	-0.4725
57	H	A	-1.6510
58	Q	A	-1.5657
59	S	A	0.0000
60	H	A	-2.4039
61	E	A	-2.7068
62	E	A	0.0000
63	R	A	-2.4993
64	E	A	-3.0721
65	H	A	0.0000
66	A	A	0.0000
67	A	A	-1.6697
68	K	A	-1.9290
69	L	A	0.0000
70	M	A	-1.4191
71	K	A	-2.5292
72	L	A	0.0000
73	Q	A	0.0000
74	N	A	-2.6451
75	Q	A	-2.3536
76	R	A	-2.1139
77	G	A	0.0000
78	G	A	0.0000
79	R	A	-1.3956
80	I	A	0.5047
81	F	A	2.0456
82	L	A	1.2969
83	Q	A	-1.1506
84	D	A	-2.3031
85	I	A	-1.2190
86	Q	A	-2.4787
87	K	A	-2.8219
88	P	A	-1.9938
89	D	A	-2.8126
90	C	A	-2.4091
91	D	A	-3.3143
92	D	A	-3.3015
93	W	A	0.0000
94	E	A	-2.6190
95	S	A	-1.6418
96	G	A	0.0000
97	L	A	-1.2961
98	N	A	-1.2624
99	A	A	0.0000
100	M	A	0.0000
101	E	A	-1.3082
102	C	A	-0.7453
103	A	A	0.0000
104	L	A	-1.4924
105	H	A	-1.8670
106	L	A	0.0000
107	E	A	0.0000
108	K	A	-2.3493
109	N	A	-2.4395
110	V	A	0.0000
111	N	A	-1.4257
112	Q	A	-2.0583
113	S	A	0.0000
114	L	A	0.0000
115	L	A	-1.1822
116	E	A	-2.1397
117	L	A	0.0000
118	H	A	-2.0242
119	K	A	-2.7546
120	L	A	-2.2860
121	A	A	0.0000
122	T	A	-2.4629
123	D	A	-2.9486
124	K	A	-3.0791
125	N	A	-2.7597
126	D	A	0.0000
127	P	A	-1.6247
128	H	A	-1.7819
129	L	A	0.0000
130	C	A	-1.8322
131	D	A	-2.4603
132	F	A	-1.3614
133	I	A	0.0000
134	E	A	-2.1008
135	T	A	-1.4852
136	H	A	-1.3117
137	Y	A	0.0000
138	L	A	-0.7511
139	N	A	-1.1158
140	E	A	-1.1459
141	Q	A	0.0000
142	V	A	-0.1270
143	K	A	-1.9536
144	A	A	-1.4297
145	I	A	-1.4257
146	K	A	-2.4485
147	E	A	-2.3558
148	L	A	0.0000
149	G	A	-1.8354
150	D	A	-1.9776
151	H	A	-1.7574
152	V	A	0.0000
153	T	A	-1.7114
154	N	A	-1.7090
155	L	A	0.0000
156	R	A	-2.9860
157	K	A	-2.6065
158	M	A	-1.2229
159	G	A	-1.6403
160	A	A	-1.6003
161	P	A	-1.7049
162	E	A	-2.0990
163	S	A	-0.8363
164	G	A	-0.0079
165	L	A	1.5223
166	A	A	0.0000
167	E	A	0.2610
168	Y	A	1.0756
169	L	A	0.6286
170	F	A	0.0000
171	D	A	0.0000
172	K	A	-1.7210
173	H	A	-1.4516
174	T	A	-0.9134
175	L	A	-0.9982
176	G	A	-1.5169