Project name: 7f08bdf81d5c950

Chain sequence(s)	A: AATTKAVCVLLKGDGPVQGIINFEQKESNGPVKKKVWGSIKGLTEGLHGFHVHEFGDNNTAGCTSAGPHFNPLSRKHGGPKDEEERHVGDLGNVTADKDGVADVSIEEDSVISLSGDHHCCIIIGRTLVVHEEKADDLGKGGNNEESTKTGNAGSRLACGVIGIAQMATKAVCVLKGDGPVQGIINFEQKESNGPVKVWGSIKGLTEGLHGFHVHEFGDNTAGCTSAGPHFNPLSRKHGGPKDEERHVGDLGNVTADKDGVADVSIEDSVISLSGDHCIIGRTLVVHEKADDLGKGGNEESTKTGNAGSRLACGVIGIAQ
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                                          (00:30:12)
[INFO]       Main:     Simulation completed successfully.                                          (00:30:13)

• Minimal score value: -6.165
• Maximal score value: 1.6703
• Average score: -0.8745
• Total score value: -268.4792

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	A	A	-1.9562
2	T	A	0.0000
3	K	A	-1.1296
4	A	A	0.0000
5	V	A	1.0768
6	C	A	0.0000
7	V	A	1.0953
8	L	A	0.0000
9	K	A	-2.4662
10	G	A	-2.9325
11	D	A	-4.3900
12	G	A	-2.2335
13	P	A	-1.7477
14	V	A	0.0000
15	Q	A	0.0000
16	G	A	0.0000
17	I	A	1.4015
18	I	A	0.0000
19	N	A	0.3959
20	F	A	0.0000
21	E	A	-1.8655
22	Q	A	0.0000
23	K	A	-3.9098
24	E	A	-3.6565
25	S	A	-2.4097
26	N	A	-2.8817
27	G	A	0.0000
28	P	A	0.0000
29	V	A	0.0000
30	K	A	-1.8923
31	V	A	0.0000
32	W	A	0.0668
33	G	A	0.0000
34	S	A	-0.7412
35	I	A	0.0000
36	K	A	-2.2409
37	G	A	-1.5609
38	L	A	0.0000
39	T	A	-2.4505
40	E	A	-3.8688
41	G	A	0.0000
42	L	A	-0.0778
43	H	A	0.0000
44	G	A	0.0000
45	F	A	0.0000
46	H	A	0.0000
47	V	A	0.0000
48	H	A	0.0000
49	E	A	0.0000
50	F	A	1.1963
51	G	A	0.1241
52	D	A	-0.6276
53	N	A	-1.0654
54	T	A	-0.8161
55	A	A	-0.4937
56	G	A	-1.5090
57	C	A	-0.9965
58	T	A	-0.3515
59	S	A	0.0000
60	A	A	0.0000
61	G	A	-0.0259
62	P	A	-0.2504
63	H	A	0.0000
64	F	A	0.0000
65	N	A	-0.7240
66	P	A	-0.5606
67	L	A	-0.2147
68	S	A	-0.9858
69	R	A	-2.7630
70	K	A	-3.7162
71	H	A	0.0000
72	G	A	0.0000
73	G	A	0.0000
74	P	A	0.0000
75	K	A	-3.9739
76	D	A	0.0000
77	E	A	-4.9625
78	E	A	0.0000
79	R	A	0.0000
80	H	A	0.0000
81	V	A	0.0000
82	G	A	0.0000
83	D	A	0.0000
84	L	A	0.0000
85	G	A	0.0000
86	N	A	-0.1548
87	V	A	0.0000
88	T	A	-1.0063
89	A	A	0.0000
90	D	A	-4.7572
91	K	A	-6.1650
92	D	A	-4.9801
93	G	A	0.0000
94	V	A	-3.0385
95	A	A	0.0000
96	D	A	-2.3588
97	V	A	0.0000
98	S	A	-0.9040
99	I	A	-1.1452
100	E	A	-2.6084
101	D	A	0.0000
102	S	A	-1.3474
103	V	A	0.0000
104	I	A	0.0000
105	S	A	0.0000
106	L	A	0.0000
107	S	A	-0.7886
108	G	A	-1.6834
109	D	A	-2.8652
110	H	A	-1.5143
111	C	A	-0.9134
112	I	A	0.0000
113	I	A	0.6731
114	G	A	0.0000
115	R	A	0.0887
116	T	A	0.0000
117	L	A	0.0000
118	V	A	0.0000
119	V	A	0.0000
120	H	A	0.0000
121	E	A	-1.7422
122	K	A	-1.9537
123	A	A	0.0000
124	D	A	0.0000
125	D	A	0.0000
126	L	A	-1.2041
127	G	A	-2.7004
128	K	A	-2.7502
129	G	A	-2.5852
130	G	A	-2.6295
131	N	A	-3.1316
132	E	A	-4.1086
133	E	A	-3.4034
134	S	A	0.0000
135	T	A	0.0000
136	K	A	-2.8979
137	T	A	-1.6651
138	G	A	0.0000
139	N	A	-1.9765
140	A	A	0.0000
141	G	A	-1.1095
142	S	A	-1.0136
143	R	A	-1.4404
144	L	A	-1.6934
145	A	A	0.0000
146	C	A	0.0000
147	G	A	0.0000
148	V	A	0.9708
149	I	A	0.0000
150	G	A	0.0000
151	I	A	1.6703
152	A	A	0.0000
153	Q	A	-2.1732
1	M	A	1.0328
2	A	A	0.1968
3	T	A	-1.1801
4	K	A	-1.0795
5	A	A	0.0000
6	V	A	1.0474
7	C	A	0.0000
8	V	A	1.1213
9	L	A	0.0000
10	K	A	-2.3232
11	G	A	0.0000
12	D	A	-4.3679
13	G	A	0.0000
14	P	A	-1.7437
15	V	A	0.0000
16	Q	A	-1.7143
17	G	A	0.0000
18	I	A	1.2617
19	I	A	0.0000
20	N	A	0.0000
21	F	A	0.0000
22	E	A	-1.8778
23	Q	A	0.0000
24	K	A	-3.8564
25	E	A	-3.5165
26	S	A	-2.1723
27	N	A	-2.8768
28	G	A	0.0000
29	P	A	-2.0371
30	V	A	0.0000
31	K	A	0.0000
32	V	A	0.0000
33	W	A	0.0110
34	G	A	0.0000
35	S	A	0.0000
36	I	A	0.0000
37	K	A	-2.4784
38	G	A	-1.5391
39	L	A	0.0000
40	T	A	-2.4277
41	E	A	-3.9455
42	G	A	-1.5980
43	L	A	-0.2175
44	H	A	0.0000
45	G	A	0.0000
46	F	A	0.0000
47	H	A	0.0000
48	V	A	0.0000
49	H	A	0.0000
50	E	A	0.0452
51	F	A	1.0605
52	G	A	0.0000
53	D	A	-0.6185
54	N	A	0.0000
55	T	A	-0.8014
56	A	A	-0.5064
57	G	A	-1.5272
58	C	A	0.0000
59	T	A	-0.4608
60	S	A	-0.3224
61	A	A	0.0000
62	G	A	0.0000
63	P	A	-0.2802
64	H	A	0.0000
65	F	A	0.0000
66	N	A	0.0000
67	P	A	-0.5449
68	L	A	-0.0656
69	S	A	-0.9887
70	R	A	-2.8731
71	K	A	-3.3164
72	H	A	0.0000
73	G	A	0.0000
74	G	A	0.0000
75	P	A	-2.3575
76	K	A	-3.9630
77	D	A	-3.4700
78	E	A	-5.0460
79	E	A	-3.9890
80	R	A	-3.0267
81	H	A	0.0000
82	V	A	0.0000
83	G	A	0.0000
84	D	A	0.0000
85	L	A	0.0000
86	G	A	0.0000
87	N	A	0.0000
88	V	A	0.0000
89	T	A	-1.1699
90	A	A	0.0000
91	D	A	-5.0683
92	K	A	-6.1146
93	D	A	-5.1006
94	G	A	0.0000
95	V	A	0.0000
96	A	A	0.0000
97	D	A	-2.6131
98	V	A	0.0000
99	S	A	-0.8780
100	I	A	0.0000
101	E	A	-2.7690
102	D	A	0.0000
103	S	A	-1.4100
104	V	A	0.0000
105	I	A	0.0000
106	S	A	0.0000
107	L	A	0.0000
108	S	A	0.0000
109	G	A	-1.7738
110	D	A	-3.0534
111	H	A	-1.4620
112	C	A	0.0000
113	I	A	0.0000
114	I	A	0.6987
115	G	A	0.3847
116	R	A	0.0814
117	T	A	0.0000
118	L	A	0.0000
119	V	A	0.0000
120	V	A	0.0000
121	H	A	0.0000
122	E	A	-1.6519
123	K	A	-1.8001
124	A	A	-0.7324
125	D	A	0.0000
126	D	A	-1.6079
127	L	A	-1.1523
128	G	A	0.0000
129	K	A	-3.2476
130	G	A	0.0000
131	G	A	-2.7035
132	N	A	-3.4644
133	E	A	-4.2209
134	E	A	-3.2621
135	S	A	0.0000
136	T	A	-3.2465
137	K	A	-2.8499
138	T	A	-1.5901
139	G	A	0.0000
140	N	A	0.0000
141	A	A	0.0000
142	G	A	-1.1421
143	S	A	-1.0291
144	R	A	0.0000
145	L	A	0.0000
146	A	A	0.0000
147	C	A	0.0000
148	G	A	0.0000
149	V	A	0.9175
150	I	A	0.0000
151	G	A	0.9631
152	I	A	1.6659
153	A	A	-0.4569
154	Q	A	-2.1896