Project name: 1-1

Chain sequence(s)	A: KPHIDNYLHDKDKDEKIEQYDKNVKEQASKDKKQQAKPQIPKDKSKVAGYIEIPDADIKEPVYPGPATPEQLNRGVSFAEENESLDDQNISIAGHTFIDRPNYQFTNLKAAKKGSMVYFKVGNETRKYKMTSIRDVKPTDVGVLDEQKGKDKQLTLITCDDYNEKTGVWEKRKIFVATEVK
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                                          (00:06:59)
[INFO]       Main:     Simulation completed successfully.                                          (00:07:00)

• Minimal score value: -4.8692
• Maximal score value: 1.5546
• Average score: -1.5203
• Total score value: -275.1676

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	-1.8906
2	P	A	-1.6722
3	H	A	-0.9640
4	I	A	0.6807
5	D	A	-0.8411
6	N	A	-0.8273
7	Y	A	0.6850
8	L	A	0.2120
9	H	A	-1.2155
10	D	A	-1.8290
11	K	A	-3.1377
12	D	A	-3.4393
13	K	A	0.0000
14	D	A	-4.4521
15	E	A	-4.8692
16	K	A	-3.8221
17	I	A	0.0000
18	E	A	-4.2993
19	Q	A	-4.0827
20	Y	A	0.0000
21	D	A	-3.6781
22	K	A	-4.5058
23	N	A	-4.1377
24	V	A	-3.5118
25	K	A	-4.5139
26	E	A	-4.7234
27	Q	A	-4.4745
28	A	A	-4.2650
29	S	A	-3.5851
30	K	A	-4.3436
31	D	A	-4.6758
32	K	A	-4.3249
33	K	A	-4.0180
34	Q	A	-3.7927
35	Q	A	-3.2802
36	A	A	-2.4846
37	K	A	-2.9302
38	P	A	-2.0672
39	Q	A	-1.8884
40	I	A	-1.1286
41	P	A	-1.6949
42	K	A	-2.7051
43	D	A	-2.1691
44	K	A	-2.3625
45	S	A	-1.9309
46	K	A	-2.2471
47	V	A	-0.9570
48	A	A	0.0000
49	G	A	0.0000
50	Y	A	-0.1424
51	I	A	0.0000
52	E	A	-1.2352
53	I	A	0.0000
54	P	A	-1.8444
55	D	A	-2.9867
56	A	A	0.0000
57	D	A	-2.7819
58	I	A	0.0000
59	K	A	-1.5386
60	E	A	0.0000
61	P	A	0.0000
62	V	A	0.0000
63	Y	A	0.0000
64	P	A	0.0000
65	G	A	0.0000
66	P	A	-2.0831
67	A	A	-1.1717
68	T	A	-1.3402
69	P	A	-1.6554
70	E	A	-2.6544
71	Q	A	0.0000
72	L	A	0.0000
73	N	A	-2.5093
74	R	A	-2.4589
75	G	A	0.0000
76	V	A	0.0000
77	S	A	0.0000
78	F	A	0.0000
79	A	A	-1.3445
80	E	A	-2.9528
81	E	A	-3.5555
82	N	A	-2.7293
83	E	A	-2.1779
84	S	A	-1.7515
85	L	A	0.0000
86	D	A	-2.3299
87	D	A	-1.6608
88	Q	A	-2.6203
89	N	A	0.0000
90	I	A	0.0000
91	S	A	0.0000
92	I	A	0.0000
93	A	A	0.0000
94	G	A	0.0000
95	H	A	-0.0751
96	T	A	0.0423
97	F	A	1.4428
98	I	A	1.5546
99	D	A	-0.7790
100	R	A	-0.7123
101	P	A	-0.4661
102	N	A	-0.8140
103	Y	A	-0.2792
104	Q	A	0.0000
105	F	A	0.0000
106	T	A	0.0000
107	N	A	-1.2141
108	L	A	0.0000
109	K	A	-2.2869
110	A	A	-2.0509
111	A	A	0.0000
112	K	A	-3.2339
113	K	A	-2.7602
114	G	A	-2.2201
115	S	A	0.0000
116	M	A	-1.2567
117	V	A	0.0000
118	Y	A	-0.5548
119	F	A	0.0000
120	K	A	-0.8677
121	V	A	0.0000
122	G	A	-2.0612
123	N	A	-2.5217
124	E	A	-1.8438
125	T	A	-1.0829
126	R	A	-1.1250
127	K	A	-1.6353
128	Y	A	0.0000
129	K	A	-1.6174
130	M	A	0.0000
131	T	A	-1.0665
132	S	A	-0.9358
133	I	A	-1.4195
134	R	A	-2.5477
135	D	A	-3.5630
136	V	A	0.0000
137	K	A	-2.8686
138	P	A	-1.5193
139	T	A	-0.7145
140	D	A	-1.0066
141	V	A	0.6262
142	G	A	-0.4792
143	V	A	-0.1007
144	L	A	-0.6623
145	D	A	-2.0788
146	E	A	-2.6860
147	Q	A	-3.3398
148	K	A	-3.4465
149	G	A	-2.7513
150	K	A	-3.5458
151	D	A	-3.4495
152	K	A	-2.7452
153	Q	A	0.0000
154	L	A	0.0000
155	T	A	0.0000
156	L	A	0.0000
157	I	A	0.0000
158	T	A	0.0000
159	C	A	0.0000
160	D	A	-1.8626
161	D	A	-2.7346
162	Y	A	-1.7584
163	N	A	-2.1683
164	E	A	-2.9204
165	K	A	-2.6866
166	T	A	-1.6207
167	G	A	-1.4517
168	V	A	-1.1176
169	W	A	-1.8129
170	E	A	-2.7875
171	K	A	-3.5053
172	R	A	-3.0750
173	K	A	-2.7555
174	I	A	0.0000
175	F	A	0.0000
176	V	A	-0.1787
177	A	A	0.0000
178	T	A	-1.4171
179	E	A	-1.6196
180	V	A	-1.3041
181	K	A	-1.9868