Project name: 1-2

Chain sequence(s)	A: KPYIDNYLHEKDNDNKIENYNKAEKKQSTSPKESPQIPKDKAKMAGYIEIPDAQIKEPVYPGPATPQQLNRGVSFAEGDESLNQQNISIAGHTFTDRPHYQFTNLKAAKKGSKVYFKVGNQTRKYKITKIHDVKPTEVKVLDEHPSKKNQLTLITCDDYNEQTGVWETRKIFVATQMN
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]                                                (00:00:01)
[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                                          (00:05:42)
[INFO]       Main:     Simulation completed successfully.                                          (00:05:43)

• Minimal score value: -4.0341
• Maximal score value: 1.6952
• Average score: -1.3133
• Total score value: -233.771

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	-1.3437
2	P	A	-0.6062
3	Y	A	1.3099
4	I	A	1.6952
5	D	A	0.2564
6	N	A	0.0000
7	Y	A	1.2112
8	L	A	0.7149
9	H	A	-0.9391
10	E	A	-1.9997
11	K	A	-2.4643
12	D	A	-3.1896
13	N	A	0.0000
14	D	A	-3.3375
15	N	A	-3.8883
16	K	A	-3.4557
17	I	A	0.0000
18	E	A	-3.8405
19	N	A	-3.5170
20	Y	A	-2.5558
21	N	A	-3.1062
22	K	A	-3.7577
23	A	A	-2.8917
24	E	A	-3.1740
25	K	A	-4.0341
26	K	A	-3.6907
27	Q	A	-3.5612
28	S	A	-2.9004
29	T	A	-1.6480
30	S	A	-1.6166
31	P	A	-1.8559
32	K	A	-3.1540
33	E	A	-3.3317
34	S	A	-2.3205
35	P	A	-1.9862
36	Q	A	-1.8452
37	I	A	-1.4979
38	P	A	-2.0287
39	K	A	-2.8384
40	D	A	-2.7636
41	K	A	-2.6141
42	A	A	-2.0400
43	K	A	-2.6274
44	M	A	-1.2608
45	A	A	0.0000
46	G	A	0.0000
47	Y	A	-0.3198
48	I	A	0.0000
49	E	A	-1.6952
50	I	A	0.0000
51	P	A	-1.8517
52	D	A	-2.8934
53	A	A	0.0000
54	Q	A	-2.2571
55	I	A	0.0000
56	K	A	-1.7867
57	E	A	0.0000
58	P	A	0.0000
59	V	A	0.0000
60	Y	A	0.0000
61	P	A	0.0000
62	G	A	0.0000
63	P	A	-1.5476
64	A	A	-0.8349
65	T	A	-1.0215
66	P	A	-1.3442
67	Q	A	-1.9917
68	Q	A	0.0000
69	L	A	0.0000
70	N	A	-2.1831
71	R	A	-2.1595
72	G	A	0.0000
73	V	A	0.0000
74	S	A	0.0000
75	F	A	0.0000
76	A	A	-1.0742
77	E	A	-2.3465
78	G	A	-2.1660
79	D	A	-2.5317
80	E	A	-1.9185
81	S	A	-1.5662
82	L	A	0.0000
83	N	A	-1.7159
84	Q	A	-1.3651
85	Q	A	-2.0765
86	N	A	0.0000
87	I	A	0.0000
88	S	A	0.0000
89	I	A	0.0000
90	A	A	0.0000
91	G	A	0.0000
92	H	A	0.0000
93	T	A	-0.5561
94	F	A	-0.2009
95	T	A	-0.8236
96	D	A	-2.0423
97	R	A	-1.2650
98	P	A	-0.8389
99	H	A	-1.1218
100	Y	A	-0.6508
101	Q	A	0.0000
102	F	A	0.0000
103	T	A	0.0000
104	N	A	-1.3614
105	L	A	0.0000
106	K	A	-2.2417
107	A	A	-1.8925
108	A	A	0.0000
109	K	A	-3.4299
110	K	A	-3.0578
111	G	A	-2.2438
112	S	A	0.0000
113	K	A	-1.9653
114	V	A	0.0000
115	Y	A	-0.9510
116	F	A	0.0000
117	K	A	-0.9888
118	V	A	0.0000
119	G	A	-1.9289
120	N	A	-2.7688
121	Q	A	-1.6725
122	T	A	-1.0968
123	R	A	-1.1216
124	K	A	-1.8410
125	Y	A	0.0000
126	K	A	-2.0118
127	I	A	0.0000
128	T	A	-1.7990
129	K	A	-2.0334
130	I	A	-1.3510
131	H	A	-1.2869
132	D	A	-2.4488
133	V	A	0.0000
134	K	A	-2.3938
135	P	A	-1.2551
136	T	A	-0.6428
137	E	A	-0.7294
138	V	A	0.3505
139	K	A	-1.4687
140	V	A	-0.5426
141	L	A	-1.0217
142	D	A	-2.3964
143	E	A	-2.5442
144	H	A	-2.5079
145	P	A	-1.9378
146	S	A	-1.7826
147	K	A	-2.9479
148	K	A	-2.6894
149	N	A	-2.0262
150	Q	A	-1.4091
151	L	A	0.0000
152	T	A	0.0000
153	L	A	0.0000
154	I	A	0.0000
155	T	A	0.0000
156	C	A	0.0000
157	D	A	-1.4188
158	D	A	-2.4719
159	Y	A	-1.7035
160	N	A	-2.1903
161	E	A	-2.7517
162	Q	A	-2.2194
163	T	A	-1.4709
164	G	A	-1.4233
165	V	A	-1.0046
166	W	A	0.0000
167	E	A	-2.3986
168	T	A	-2.0380
169	R	A	-2.1101
170	K	A	-1.7970
171	I	A	0.0000
172	F	A	0.0000
173	V	A	-0.6210
174	A	A	0.0000
175	T	A	-1.6013
176	Q	A	-1.5481
177	M	A	-1.3658
178	N	A	-1.5577