Project name: P=B

Chain sequence(s)	A: KEGIYITGKAGTSVVNVYGINSTFSQEEIVNGHATLPDRTKGVFGGGVAIGYDFYDPFQLPVRLELDTTFRGETDAKGGQDIIAFGQPVHINVKNQVRMTTYIVNGYYDFHNSTAFTPYISAGVGLAHVKLSNNTIPVGFGINETLSASKNNFAWGAGIGAKYAVTDNIMIDASYKYINAGKVSISKNHYAGDEHTAYDADTKAASNDFMLGITYAF
Selected Chain(s)	A
Distance of aggregation	5 Å
FoldX usage	Yes
Dynamic mode	No
Automated mutations	No

Simulation log

[INFO]       Logger:   Verbosity set to: 2 - [INFO]                                                (00:00:01)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:01)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with A chain(s) selected             (00:00:01)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:01)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:01)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:03:08)
[INFO]       Main:     Simulation completed successfully.                                          (00:03:09)

• Minimal score value: -2.316
• Maximal score value: 2.392
• Average score: -0.0191
• Total score value: -4.1539

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	K	A	-2.0317
2	E	A	-2.1297
3	G	A	0.0000
4	I	A	0.5284
5	Y	A	0.0000
6	I	A	1.0088
7	T	A	0.0000
8	G	A	-0.2110
9	K	A	-0.2914
10	A	A	-0.0420
11	G	A	-0.0684
12	T	A	0.1819
13	S	A	0.0000
14	V	A	0.3797
15	V	A	0.2886
16	N	A	-0.2268
17	V	A	0.3543
18	Y	A	0.2997
19	G	A	-0.2823
20	I	A	0.0000
21	N	A	-1.2781
22	S	A	-0.2633
23	T	A	0.1238
24	F	A	0.7717
25	S	A	-0.1213
26	Q	A	-0.8550
27	E	A	-2.2283
28	E	A	-1.9392
29	I	A	1.1428
30	V	A	1.7566
31	N	A	-0.9784
32	G	A	-0.4126
33	H	A	-0.9974
34	A	A	-0.1433
35	T	A	0.0486
36	L	A	0.5473
37	P	A	-0.4730
38	D	A	-2.0573
39	R	A	-1.9121
40	T	A	-0.5708
41	K	A	-1.0322
42	G	A	-0.5376
43	V	A	0.4982
44	F	A	1.9782
45	G	A	0.0000
46	G	A	-0.0986
47	G	A	0.0863
48	V	A	0.9442
49	A	A	0.0000
50	I	A	1.5749
51	G	A	0.0000
52	Y	A	0.3949
53	D	A	-0.1660
54	F	A	0.4337
55	Y	A	0.1191
56	D	A	-1.7360
57	P	A	-0.0955
58	F	A	1.7070
59	Q	A	-0.6110
60	L	A	0.8536
61	P	A	0.1870
62	V	A	0.3965
63	R	A	0.0000
64	L	A	0.7968
65	E	A	0.0000
66	L	A	1.4286
67	D	A	0.0000
68	T	A	0.0858
69	T	A	0.0000
70	F	A	0.9707
71	R	A	0.0000
72	G	A	-0.5171
73	E	A	-1.8569
74	T	A	-0.6920
75	D	A	-1.7882
76	A	A	-0.6171
77	K	A	-1.7811
78	G	A	-0.8639
79	G	A	-0.7806
80	Q	A	-1.6175
81	D	A	-1.6426
82	I	A	2.0540
83	I	A	2.3920
84	A	A	0.7773
85	F	A	1.8681
86	G	A	-0.3313
87	Q	A	-1.3233
88	P	A	-0.1333
89	V	A	1.5516
90	H	A	-0.3127
91	I	A	1.6090
92	N	A	-0.5953
93	V	A	1.2432
94	K	A	-1.5614
95	N	A	-1.4119
96	Q	A	-0.7621
97	V	A	0.6175
98	R	A	-0.6036
99	M	A	0.0000
100	T	A	0.0000
101	T	A	0.0000
102	Y	A	0.8792
103	I	A	0.0000
104	V	A	1.1418
105	N	A	0.0000
106	G	A	-0.0733
107	Y	A	0.0000
108	Y	A	0.8897
109	D	A	0.0000
110	F	A	1.0470
111	H	A	-0.4080
112	N	A	-1.3546
113	S	A	-0.4473
114	T	A	-0.1027
115	A	A	0.3651
116	F	A	2.0422
117	T	A	0.3217
118	P	A	-0.1010
119	Y	A	0.0000
120	I	A	1.3815
121	S	A	0.0000
122	A	A	0.0529
123	G	A	0.2809
124	V	A	1.7760
125	G	A	0.2746
126	L	A	0.6025
127	A	A	0.0000
128	H	A	-0.3248
129	V	A	0.0000
130	K	A	-0.7778
131	L	A	0.1599
132	S	A	-0.1668
133	N	A	-1.0913
134	N	A	-1.4407
135	T	A	0.0600
136	I	A	1.9782
137	P	A	0.5656
138	V	A	1.6677
139	G	A	0.1959
140	F	A	1.7751
141	G	A	0.0173
142	I	A	0.4557
143	N	A	-1.4597
144	E	A	-2.0621
145	T	A	-0.3063
146	L	A	0.4804
147	S	A	-0.1185
148	A	A	-0.0517
149	S	A	-0.4966
150	K	A	-1.5597
151	N	A	-1.5600
152	N	A	-0.0254
153	F	A	1.9587
154	A	A	0.0000
155	W	A	0.7944
156	G	A	0.0000
157	A	A	0.0284
158	G	A	0.2685
159	I	A	2.0376
160	G	A	0.2883
161	A	A	-0.0161
162	K	A	0.0000
163	Y	A	1.0522
164	A	A	0.4651
165	V	A	1.4882
166	T	A	-0.1105
167	D	A	-1.8627
168	N	A	-0.5780
169	I	A	0.5749
170	M	A	0.3381
171	I	A	0.7507
172	D	A	0.0000
173	A	A	0.1666
174	S	A	0.0446
175	Y	A	0.6002
176	K	A	-0.0342
177	Y	A	0.4020
178	I	A	0.0000
179	N	A	-0.2165
180	A	A	0.0000
181	G	A	-0.3783
182	K	A	-1.5592
183	V	A	0.0000
184	S	A	-0.0863
185	I	A	0.3141
186	S	A	-0.4449
187	K	A	-1.1184
188	N	A	-1.6082
189	H	A	-0.9816
190	Y	A	1.1416
191	A	A	0.1947
192	G	A	-0.7791
193	D	A	-2.1961
194	E	A	-2.3160
195	H	A	-1.3195
196	T	A	-0.1879
197	A	A	-0.0638
198	Y	A	0.2493
199	D	A	-1.1018
200	A	A	-0.3326
201	D	A	-0.6843
202	T	A	-0.2677
203	K	A	-0.9229
204	A	A	0.0000
205	A	A	0.0000
206	S	A	0.0000
207	N	A	-0.1302
208	D	A	0.0000
209	F	A	1.7060
210	M	A	0.6062
211	L	A	1.1743
212	G	A	0.0000
213	I	A	1.8012
214	T	A	0.0000
215	Y	A	0.8001
216	A	A	0.4534
217	F	A	1.9427