Project name: E64F

Chain sequence(s)	A: TSQVRQNYHQDSEAAINRQINLELYASYVYLSMSYYFDRDDVALKNFAKYFLHQSHEERFHAEKLMKLQNQRGGRIFLQDIQKPDCDDWESGLNAMECALHLEKNVNQSLLELHKLATDKNDPHLCDFIETHYLNEQVKAIKELGDHVTNLRKMGAPESGLAEYLFDKHTLG
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                                          (00:03:45)
[INFO]       Main:     Simulation completed successfully.                                          (00:03:46)

• Minimal score value: -3.3729
• Maximal score value: 2.0405
• Average score: -1.0568
• Total score value: -181.7622

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	-1.5250
18	A	A	-1.2231
19	A	A	-1.3313
20	I	A	0.0000
21	N	A	-0.2439
22	R	A	-1.0709
23	Q	A	0.0000
24	I	A	0.0000
25	N	A	-0.5146
26	L	A	-0.3132
27	E	A	0.0000
28	L	A	-0.0465
29	Y	A	-0.1164
30	A	A	0.0000
31	S	A	0.0000
32	Y	A	0.3541
33	V	A	0.0000
34	Y	A	0.0000
35	L	A	0.8651
36	S	A	0.0325
37	M	A	0.0000
38	S	A	0.0000
39	Y	A	0.3075
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	-2.3819
50	N	A	-1.7740
51	F	A	0.0000
52	A	A	0.0000
53	K	A	-1.7363
54	Y	A	-0.9148
55	F	A	0.0000
56	L	A	-0.4076
57	H	A	-1.5555
58	Q	A	-1.0453
59	S	A	0.0000
60	H	A	-1.1230
61	E	A	-1.2311
62	E	A	0.0000
63	R	A	-0.7480
64	F	A	0.2958
65	H	A	0.0000
66	A	A	0.0000
67	E	A	-2.0581
68	K	A	-1.7145
69	L	A	0.0000
70	M	A	-1.6747
71	K	A	-2.9792
72	L	A	0.0000
73	Q	A	0.0000
74	N	A	-2.6486
75	Q	A	-2.3559
76	R	A	-2.1135
77	G	A	0.0000
78	G	A	0.0000
79	R	A	-1.3962
80	I	A	0.5006
81	F	A	2.0405
82	L	A	1.2934
83	Q	A	-1.1541
84	D	A	-2.3009
85	I	A	-1.2191
86	Q	A	-2.4806
87	K	A	-2.8267
88	P	A	-1.9978
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	-2.6581
95	S	A	-1.7072
96	G	A	0.0000
97	L	A	0.0000
98	N	A	-1.3471
99	A	A	0.0000
100	M	A	0.0000
101	E	A	-1.2625
102	C	A	-0.7315
103	A	A	0.0000
104	L	A	-1.4332
105	H	A	-1.8219
106	L	A	0.0000
107	E	A	0.0000
108	K	A	-2.2524
109	N	A	-2.4561
110	V	A	0.0000
111	N	A	-1.4499
112	Q	A	-2.1181
113	S	A	0.0000
114	L	A	0.0000
115	L	A	-1.3994
116	E	A	-2.4105
117	L	A	0.0000
118	H	A	-2.1326
119	K	A	-2.8599
120	L	A	-2.3352
121	A	A	0.0000
122	T	A	-2.4757
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	-2.4636
132	F	A	-1.3665
133	I	A	0.0000
134	E	A	-2.1249
135	T	A	-1.4958
136	H	A	-1.3138
137	Y	A	0.0000
138	L	A	-0.7788
139	N	A	-1.1294
140	E	A	-1.1506
141	Q	A	0.0000
142	V	A	-0.1271
143	K	A	-1.9825
144	A	A	-1.4506
145	I	A	-1.4486
146	K	A	-2.5148
147	E	A	-2.4834
148	L	A	0.0000
149	G	A	-1.8557
150	D	A	-2.0882
151	H	A	-1.7030
152	V	A	-1.5900
153	T	A	-1.5238
154	N	A	-1.5350
155	L	A	0.0000
156	R	A	-2.4993
157	K	A	-2.3321
158	M	A	-1.0285
159	G	A	-1.3848
160	A	A	0.0000
161	P	A	-1.6351
162	E	A	-2.0325
163	S	A	-0.7482
164	G	A	0.0128
165	L	A	1.5407
166	A	A	0.0000
167	E	A	0.2968
168	Y	A	1.0757
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	-0.9978
176	G	A	-1.5167