Project name: GAP43 (cryptic)

Chain sequence(s)	A: MLCCMRRTKQVEKNDDDQKIEQDGIKPEDKAHKAATKIQASFRGHITRKKLKGEKKDDVQAAEAEANKKDEAPVADGVEKKGEGTTTAEAAPATGSKPDEPGKAGETPSEEKKGEGDAATEQAAPQAPASSEEKAGSAETESATKASTDNSPSSKAEDAPAKEEPKQADVPAAVTAAAATTPAAEDAAAKATAQPPTETGESSQAEENIGSKYGLNHRVLLGRKPTP
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                                          (00:02:13)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:15)

• Minimal score value: -5.3909
• Maximal score value: 2.6254
• Average score: -1.6649
• Total score value: -377.9343

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	M	A	2.3025
2	L	A	2.6254
3	C	A	1.8353
4	C	A	1.3189
5	M	A	0.5724
6	R	A	-1.8941
7	R	A	-2.7074
8	T	A	-2.2424
9	K	A	-2.7679
10	Q	A	-2.3002
11	V	A	-0.9113
12	E	A	-3.3031
13	K	A	-4.0841
14	N	A	-4.5976
15	D	A	-5.3909
16	D	A	-5.0541
17	D	A	-4.6664
18	Q	A	-4.0671
19	K	A	-3.4746
20	I	A	-1.7038
21	E	A	-3.0262
22	Q	A	-2.8322
23	D	A	-2.5963
24	G	A	-1.4655
25	I	A	-0.0307
26	K	A	-2.5804
27	P	A	-3.0295
28	E	A	-3.9942
29	D	A	-4.4952
30	K	A	-4.0047
31	A	A	-3.2691
32	H	A	-3.3913
33	K	A	-3.6301
34	A	A	-1.9238
35	A	A	-1.3088
36	T	A	-1.3142
37	K	A	-1.4711
38	I	A	0.6621
39	Q	A	-0.5094
40	A	A	-0.5488
41	S	A	0.0217
42	F	A	0.5813
43	R	A	-1.5143
44	G	A	-1.3993
45	H	A	-1.8653
46	I	A	-1.3764
47	T	A	-2.0128
48	R	A	-3.1841
49	K	A	-3.5409
50	K	A	-3.0057
51	L	A	-1.6984
52	K	A	-3.9640
53	G	A	-4.2474
54	E	A	-4.0856
55	K	A	-4.1550
56	K	A	-4.3844
57	D	A	-4.1920
58	D	A	-2.5626
59	V	A	-0.5593
60	Q	A	-1.3784
61	A	A	-0.8205
62	A	A	-1.2993
63	E	A	-2.2375
64	A	A	-2.1571
65	E	A	-2.7187
66	A	A	-2.4494
67	N	A	-3.1962
68	K	A	-3.7339
69	K	A	-4.1654
70	D	A	-4.0980
71	E	A	-2.9024
72	A	A	-1.1107
73	P	A	0.0288
74	V	A	0.9750
75	A	A	0.0576
76	D	A	-1.2244
77	G	A	-0.6556
78	V	A	-0.1014
79	E	A	-2.2848
80	K	A	-3.2566
81	K	A	-3.7147
82	G	A	-2.7755
83	E	A	-2.7177
84	G	A	-1.7559
85	T	A	-0.7531
86	T	A	-0.2371
87	T	A	-0.4588
88	A	A	-0.8886
89	E	A	-1.7628
90	A	A	-0.8523
91	A	A	-0.4286
92	P	A	-0.2034
93	A	A	-0.1892
94	T	A	-0.3702
95	G	A	-0.9355
96	S	A	-1.3471
97	K	A	-2.3482
98	P	A	-2.3355
99	D	A	-3.1658
100	E	A	-2.9699
101	P	A	-2.1027
102	G	A	-1.7947
103	K	A	-2.0476
104	A	A	-1.4941
105	G	A	-1.6637
106	E	A	-2.1153
107	T	A	-1.1961
108	P	A	-1.1096
109	S	A	-1.6376
110	E	A	-3.2716
111	E	A	-4.0242
112	K	A	-3.9841
113	K	A	-3.5479
114	G	A	-2.7029
115	E	A	-3.0523
116	G	A	-2.3588
117	D	A	-2.3888
118	A	A	-0.9292
119	A	A	-0.7301
120	T	A	-1.2456
121	E	A	-2.4600
122	Q	A	-2.1248
123	A	A	-0.9652
124	A	A	-0.4960
125	P	A	-0.7808
126	Q	A	-1.3376
127	A	A	-0.6900
128	P	A	-0.5034
129	A	A	-0.2110
130	S	A	-0.7300
131	S	A	-1.6167
132	E	A	-3.2517
133	E	A	-3.6608
134	K	A	-3.0897
135	A	A	-1.4687
136	G	A	-0.8913
137	S	A	-0.7649
138	A	A	-1.0639
139	E	A	-2.2454
140	T	A	-1.9484
141	E	A	-2.3275
142	S	A	-1.3089
143	A	A	-0.9138
144	T	A	-0.9072
145	K	A	-1.7711
146	A	A	-0.9237
147	S	A	-0.9903
148	T	A	-1.4936
149	D	A	-2.5458
150	N	A	-2.3562
151	S	A	-1.5128
152	P	A	-0.9491
153	S	A	-1.0384
154	S	A	-1.4487
155	K	A	-2.4639
156	A	A	-2.1066
157	E	A	-3.0881
158	D	A	-2.9121
159	A	A	-1.3352
160	P	A	-0.9402
161	A	A	-1.5180
162	K	A	-3.0924
163	E	A	-3.6746
164	E	A	-3.6039
165	P	A	-2.7035
166	K	A	-2.8230
167	Q	A	-2.5049
168	A	A	-1.5321
169	D	A	-1.1631
170	V	A	0.7711
171	P	A	0.2794
172	A	A	0.6804
173	A	A	0.9375
174	V	A	1.7913
175	T	A	0.8888
176	A	A	0.4287
177	A	A	0.1150
178	A	A	0.1150
179	A	A	0.0496
180	T	A	-0.1165
181	T	A	-0.2063
182	P	A	-0.2633
183	A	A	-0.4226
184	A	A	-1.2938
185	E	A	-2.6929
186	D	A	-2.6762
187	A	A	-1.1801
188	A	A	-0.6305
189	A	A	-0.7287
190	K	A	-1.6458
191	A	A	-0.9186
192	T	A	-0.7373
193	A	A	-0.6431
194	Q	A	-1.3736
195	P	A	-1.1725
196	P	A	-1.2271
197	T	A	-1.3559
198	E	A	-2.3280
199	T	A	-1.6830
200	G	A	-1.9725
201	E	A	-2.4283
202	S	A	-1.6108
203	S	A	-1.5383
204	Q	A	-2.0809
205	A	A	-2.1618
206	E	A	-3.2189
207	E	A	-3.0157
208	N	A	-2.2349
209	I	A	0.1127
210	G	A	-0.6471
211	S	A	-1.0811
212	K	A	-0.9749
213	Y	A	0.6567
214	G	A	-0.1701
215	L	A	0.1576
216	N	A	-1.4140
217	H	A	-1.2657
218	R	A	-1.0600
219	V	A	1.3802
220	L	A	1.7313
221	L	A	1.6476
222	G	A	-0.4365
223	R	A	-2.3486
224	K	A	-2.4843
225	P	A	-1.6734
226	T	A	-1.0129
227	P	A	-0.5516