Project name: query_structure

Chain sequence(s)	A: SSSVPTKLEVVAATPTSLLISWDAGYWFIDYYRITYGETGGNSPVQEFTVPGYSSTATISGLSPGVDYTITVYAYYDNYGWSPISINYRT; C: EYIKLKVIGQDSSEIHFKVKMTTHLKKLKESYAQRQGVPMNSLRFLFEGQRIADNHTPKELGMEEEDVIEVYQEQ; B: SSVPTKLEVVAATPTSLLISWDAGYWFIDYYRITYGETGGNSPVQEFTVPGYSSTATISGLSPGVDYTITVYAYYDNYGWSPISINYRT; D: EYIKLKVIGQDSSEIHFKVKMTTHLKKLKESYAQRQGVPMNSLRFLFEGQRIADNHTPKELGMEEEDVIEVYQEQTGG
Selected Chain(s)	A,C,B,D
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 all 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                                          (00:04:15)
[INFO]       Main:     Simulation completed successfully.                                          (00:04:18)

• Minimal score value: -3.684
• Maximal score value: 1.5212
• Average score: -0.879
• Total score value: -290.9424

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
2	S	A	-0.2520
3	S	A	-0.3288
4	V	A	0.0000
5	P	A	0.0000
6	T	A	-1.3645
7	K	A	-2.3554
8	L	A	0.0000
9	E	A	-1.8139
10	V	A	0.0179
11	V	A	1.3379
12	A	A	0.7894
13	A	A	0.2456
14	T	A	-0.2117
15	P	A	-0.8024
16	T	A	-0.7133
17	S	A	-0.3127
18	L	A	0.0000
19	L	A	0.6310
20	I	A	0.0000
21	S	A	-0.5698
22	W	A	0.0000
23	D	A	-1.3074
24	A	A	-0.1804
25	G	A	-0.0933
26	Y	A	1.0236
27	W	A	0.5309
28	F	A	0.4669
29	I	A	0.0000
30	D	A	-0.0718
31	Y	A	0.5406
32	Y	A	0.0000
33	R	A	-0.4278
34	I	A	0.0000
35	T	A	0.0000
36	Y	A	-0.5938
37	G	A	-1.2439
38	E	A	-2.4228
39	T	A	-1.6335
40	G	A	-1.4864
41	G	A	-1.7443
42	N	A	-1.8032
43	S	A	-1.1508
44	P	A	-0.5479
45	V	A	0.0988
46	Q	A	-1.3599
47	E	A	-1.8107
48	F	A	-0.5473
49	T	A	-0.1379
50	V	A	0.4175
51	P	A	0.4174
52	G	A	0.6974
53	Y	A	1.0271
54	S	A	0.5041
55	S	A	-0.0066
56	T	A	0.0624
57	A	A	0.0000
58	T	A	0.0569
59	I	A	0.0000
60	S	A	-0.4418
61	G	A	-0.6674
62	L	A	0.0000
63	S	A	-0.9231
64	P	A	-0.9018
65	G	A	-0.9422
66	V	A	-1.0090
67	D	A	-1.8736
68	Y	A	0.0000
69	T	A	-0.9810
70	I	A	0.0000
71	T	A	-0.0935
72	V	A	0.0000
73	Y	A	0.1034
74	A	A	0.0000
75	Y	A	-0.3476
76	Y	A	0.0000
77	D	A	-1.4285
78	N	A	-1.6412
79	Y	A	-1.0246
80	G	A	-0.6767
81	W	A	0.0000
82	S	A	-0.2479
83	P	A	-0.1418
84	I	A	-0.0044
85	S	A	-0.4412
86	I	A	-0.6204
87	N	A	-1.7706
88	Y	A	-1.4560
89	R	A	-2.3124
90	T	A	-1.1111
2	S	B	-0.2638
3	S	B	-0.3908
4	V	B	0.0000
5	P	B	0.0000
6	T	B	-1.3832
7	K	B	-2.3665
8	L	B	0.0000
9	E	B	-1.7212
10	V	B	0.1497
11	V	B	1.5212
12	A	B	0.8882
13	A	B	0.2850
14	T	B	-0.2042
15	P	B	-0.8182
16	T	B	-0.7243
17	S	B	-0.3229
18	L	B	0.0000
19	L	B	0.7321
20	I	B	0.0000
21	S	B	-0.5508
22	W	B	0.0000
23	D	B	-1.3339
24	A	B	-0.2572
25	G	B	-0.1037
26	Y	B	1.0235
27	W	B	0.4046
28	F	B	0.0000
29	I	B	0.0000
30	D	B	-0.3798
31	Y	B	0.5076
32	Y	B	0.0000
33	R	B	-0.3637
34	I	B	0.0000
35	T	B	0.0000
36	Y	B	-0.4126
37	G	B	-0.8516
38	E	B	-1.6366
39	T	B	-1.1967
40	G	B	-1.2938
41	G	B	-1.4171
42	N	B	-1.6001
43	S	B	-0.9489
44	P	B	-0.4612
45	V	B	0.1760
46	Q	B	-1.2731
47	E	B	-1.7869
48	F	B	-0.6365
49	T	B	-0.0765
50	V	B	0.4062
51	P	B	0.3285
52	G	B	0.5094
53	Y	B	1.1158
54	S	B	0.5433
55	S	B	-0.0456
56	T	B	0.0850
57	A	B	0.0000
58	T	B	0.0899
59	I	B	0.0000
60	S	B	-0.4717
61	G	B	-0.6781
62	L	B	0.0000
63	S	B	-0.8123
64	P	B	-0.9308
65	G	B	-1.0337
66	V	B	-0.8285
67	D	B	-1.6896
68	Y	B	0.0000
69	T	B	-0.7406
70	I	B	0.0000
71	T	B	-0.0796
72	V	B	0.0000
73	Y	B	0.1436
74	A	B	0.0000
75	Y	B	-0.3845
76	Y	B	0.0000
77	D	B	-1.5932
78	N	B	-1.6572
79	Y	B	-0.8705
80	G	B	-0.5715
81	W	B	0.0000
82	S	B	-0.2266
83	P	B	-0.1289
84	I	B	-0.0300
85	S	B	-0.4868
86	I	B	-0.5867
87	N	B	-1.5265
88	Y	B	-1.3207
89	R	B	-2.2439
90	T	B	-1.1660
20	E	C	-1.9311
21	Y	C	-1.5201
22	I	C	0.0000
23	K	C	-1.9472
24	L	C	0.0000
25	K	C	-0.8600
26	V	C	0.0000
27	I	C	-0.5182
28	G	C	0.0000
29	Q	C	-2.3754
30	D	C	-2.4766
31	S	C	-1.6509
32	S	C	-0.8826
33	E	C	-0.3101
34	I	C	0.4007
35	H	C	0.0140
36	F	C	0.0000
37	K	C	-1.1321
38	V	C	0.0000
39	K	C	-1.7352
40	M	C	-1.9783
41	T	C	-1.5042
42	T	C	-1.6064
43	H	C	-2.7158
44	L	C	0.0000
45	K	C	-2.8163
46	K	C	-2.5919
47	L	C	0.0000
48	K	C	0.0000
49	E	C	-2.5440
50	S	C	0.0000
51	Y	C	0.0000
52	A	C	0.0000
53	Q	C	-2.2812
54	R	C	-1.8083
55	Q	C	-2.0936
56	G	C	-1.4459
57	V	C	-0.8749
58	P	C	-0.9369
59	M	C	-1.2636
60	N	C	-1.6929
61	S	C	-1.1978
62	L	C	-1.2074
63	R	C	-1.7529
64	F	C	0.0000
65	L	C	0.0000
66	F	C	0.0000
67	E	C	-2.7091
68	G	C	-2.4414
69	Q	C	-3.0130
70	R	C	-3.0264
71	I	C	0.0000
72	A	C	-1.7543
73	D	C	-2.4638
74	N	C	-2.5340
75	H	C	-2.3285
76	T	C	-2.2809
77	P	C	0.0000
78	K	C	-3.1115
79	E	C	-2.9167
80	L	C	-1.7765
81	G	C	-1.9355
82	M	C	0.0000
83	E	C	-3.5015
84	E	C	-3.6840
85	E	C	-3.4053
86	D	C	-2.5712
87	V	C	-1.0295
88	I	C	0.0000
89	E	C	-1.4151
90	V	C	0.0000
91	Y	C	-1.3739
92	Q	C	-2.0027
93	E	C	-1.8931
94	Q	C	-1.8661
20	E	D	-1.8804
21	Y	D	-1.5149
22	I	D	0.0000
23	K	D	-1.9387
24	L	D	0.0000
25	K	D	-0.6731
26	V	D	0.0000
27	I	D	-0.4872
28	G	D	0.0000
29	Q	D	-2.2704
30	D	D	-2.5226
31	S	D	-1.6038
32	S	D	-1.1150
33	E	D	-0.4677
34	I	D	0.0000
35	H	D	0.0000
36	F	D	0.0000
37	K	D	-1.1732
38	V	D	0.0000
39	K	D	-1.6235
40	M	D	-1.8922
41	T	D	-1.4017
42	T	D	-1.5139
43	H	D	-2.7129
44	L	D	0.0000
45	K	D	-3.5089
46	K	D	-2.5835
47	L	D	0.0000
48	K	D	-2.4718
49	E	D	-3.2360
50	S	D	0.0000
51	Y	D	0.0000
52	A	D	0.0000
53	Q	D	-2.7866
54	R	D	-2.6757
55	Q	D	-1.8956
56	G	D	-1.3904
57	V	D	-1.0367
58	P	D	-1.0257
59	M	D	-1.2717
60	N	D	-1.6498
61	S	D	-1.3733
62	L	D	0.0000
63	R	D	-1.5099
64	F	D	0.0000
65	L	D	-1.2514
66	F	D	0.0000
67	E	D	-2.4534
68	G	D	-2.0507
69	Q	D	-2.1288
70	R	D	-2.0834
71	I	D	0.0000
72	A	D	-2.0791
73	D	D	-3.5919
74	N	D	-2.9904
75	H	D	-2.5342
76	T	D	-2.3926
77	P	D	0.0000
78	K	D	-3.0930
79	E	D	-2.9292
80	L	D	-2.0789
81	G	D	-2.0979
82	M	D	0.0000
83	E	D	-3.4860
84	E	D	-3.6110
85	E	D	-3.2652
86	D	D	-2.3529
87	V	D	-0.6448
88	I	D	0.0000
89	E	D	-1.0637
90	V	D	0.0000
91	Y	D	-1.0811
92	Q	D	-1.8471
93	E	D	-1.6642
94	Q	D	-2.0146
95	T	D	-1.4214
96	G	D	-0.9814
97	G	D	-0.9233