Project name: query_structure

Chain sequence(s)	A: TYAPLNFIAIGIGATLGAWLRWVLGLKLNGAGWPWGTLTANLVGGYLIGVMVALIASHPEWPAWIRLAAVTGFLGGLTTFSTFSAETVDMLCRGVYATAAAYAGASLAGSLAMTGLGLATVRLLLR; C: SSVPTKLEVVAATPTSLLISWDAPAVTVDHYVITYGETGAYWSYQEFTVPGSKSTATISGLKPGVDYTITVYANPYSDAPIYYSYHSPISINYRT; B: MLTYAPLNFIAIGIGATLGAWLRWVLGLKLNGAGWPWGTLTANLVGGYLIGVMVALIASHPEWPAWIRRLAAVTGFLGGLTTFSTFSAETVDMLCRGVYATAAAYAGASLAGSLAMTGLGLATVRLLLR
Selected Chain(s)	A,C,B
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                                          (00:02:19)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:22)

• Minimal score value: -2.6455
• Maximal score value: 3.4739
• Average score: 0.204
• Total score value: 71.1918

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
3	T	A	0.7051
4	Y	A	1.6039
5	A	A	1.4688
6	P	A	1.4843
7	L	A	2.6640
8	N	A	0.0000
9	F	A	2.8028
10	I	A	3.4739
11	A	A	0.0000
12	I	A	0.0000
13	G	A	2.6296
14	I	A	3.2051
15	G	A	0.0000
16	A	A	0.0000
17	T	A	2.3652
18	L	A	2.1553
19	G	A	0.0000
20	A	A	0.0000
21	W	A	1.4659
22	L	A	1.3479
23	R	A	0.0000
24	W	A	0.0000
25	V	A	0.4813
26	L	A	0.2674
27	G	A	-0.1431
28	L	A	-0.4478
29	K	A	-1.3850
30	L	A	-0.3068
31	N	A	-0.4940
32	G	A	-0.5016
33	A	A	-0.0799
34	G	A	-0.1878
35	W	A	0.3455
36	P	A	0.0000
37	W	A	0.5890
38	G	A	0.0000
39	T	A	0.0000
40	L	A	0.0000
41	T	A	0.5653
42	A	A	0.0000
43	N	A	0.0000
44	L	A	0.8927
45	V	A	1.1498
46	G	A	0.0000
47	G	A	0.0000
48	Y	A	1.4907
49	L	A	1.3536
50	I	A	0.0000
51	G	A	0.0000
52	V	A	1.1631
53	M	A	0.8094
54	V	A	0.8108
55	A	A	0.0000
56	L	A	0.5734
57	I	A	0.1580
58	A	A	0.0697
59	S	A	-0.1853
60	H	A	-0.6972
61	P	A	-1.0319
62	E	A	-1.7731
63	W	A	-0.4843
64	P	A	-0.1871
65	A	A	0.2048
66	W	A	1.3374
67	I	A	0.4420
68	R	A	-0.4600
69	L	A	0.3537
70	A	A	0.9866
71	A	A	0.5175
72	V	A	0.0000
73	T	A	0.0492
74	G	A	0.0000
75	F	A	1.1504
76	L	A	0.0000
77	G	A	0.0000
78	G	A	0.0000
79	L	A	0.0000
80	T	A	0.0000
81	T	A	0.0000
82	F	A	0.0000
83	S	A	0.0000
84	T	A	-0.0112
85	F	A	0.0000
86	S	A	0.0000
87	A	A	0.0000
88	E	A	0.0000
89	T	A	0.0000
90	V	A	0.0000
91	D	A	0.2909
92	M	A	0.0000
93	L	A	1.0477
94	C	A	0.8992
95	R	A	0.3128
96	G	A	0.0000
97	V	A	0.0000
98	Y	A	1.1200
99	A	A	0.6454
100	T	A	0.2024
101	A	A	0.0000
102	A	A	0.3288
103	A	A	0.1138
104	Y	A	0.0000
105	A	A	0.0109
106	G	A	-0.1438
107	A	A	0.0282
108	S	A	0.0000
109	L	A	0.2991
110	A	A	0.2256
111	G	A	0.2936
112	S	A	0.0000
113	L	A	0.7266
114	A	A	0.8300
115	M	A	1.3477
116	T	A	0.0000
117	G	A	0.9999
118	L	A	1.8370
119	G	A	0.0000
120	L	A	1.4783
121	A	A	1.2356
122	T	A	1.3388
123	V	A	0.0000
124	R	A	0.8060
125	L	A	1.7359
126	L	A	2.1149
127	L	A	1.3293
128	R	A	-0.3835
1	M	B	2.1440
2	L	B	2.3474
3	T	B	1.5409
4	Y	B	2.0499
5	A	B	0.0000
6	P	B	1.4401
7	L	B	2.2836
8	N	B	0.0000
9	F	B	2.5135
10	I	B	3.1441
11	A	B	0.0000
12	I	B	0.0000
13	G	B	0.0000
14	I	B	3.0629
15	G	B	0.0000
16	A	B	0.0000
17	T	B	2.3846
18	L	B	2.2986
19	G	B	0.0000
20	A	B	0.0000
21	W	B	1.5226
22	L	B	1.3297
23	R	B	0.0000
24	W	B	0.0000
25	V	B	0.9328
26	L	B	0.7100
27	G	B	0.6396
28	L	B	0.9623
29	K	B	-0.5071
30	L	B	0.5176
31	N	B	0.2137
32	G	B	-0.1431
33	A	B	-0.2456
34	G	B	-0.3268
35	W	B	0.2018
36	P	B	0.0000
37	W	B	1.1521
38	G	B	0.0000
39	T	B	0.0000
40	L	B	0.0000
41	T	B	0.6855
42	A	B	0.0000
43	N	B	0.0000
44	L	B	0.8925
45	V	B	1.0841
46	G	B	0.0000
47	G	B	0.0000
48	Y	B	1.3468
49	L	B	1.1417
50	I	B	0.0000
51	G	B	0.0000
52	V	B	0.7524
53	M	B	0.5862
54	V	B	0.0000
55	A	B	0.0000
56	L	B	0.3425
57	I	B	0.0000
58	A	B	0.1228
59	S	B	-0.1783
60	H	B	-0.6929
61	P	B	-0.9194
62	E	B	-1.8541
63	W	B	-0.4968
64	P	B	-0.0184
65	A	B	0.5843
66	W	B	1.4874
67	I	B	0.7494
68	R	B	0.0000
69	L	B	0.0000
70	A	B	1.2236
71	A	B	0.6854
72	V	B	0.0000
73	T	B	0.2747
74	G	B	0.0000
75	F	B	1.2749
76	L	B	0.0000
77	G	B	0.0000
78	G	B	0.0000
79	L	B	0.0000
80	T	B	0.0000
81	T	B	0.0000
82	F	B	0.0000
83	S	B	0.0000
84	T	B	-0.0136
85	F	B	0.0000
86	S	B	0.0000
87	A	B	-0.2389
88	E	B	-0.7314
89	T	B	0.0000
90	V	B	-0.4201
91	D	B	-1.5083
92	M	B	0.0000
93	L	B	0.4299
94	C	B	-0.1314
95	R	B	-1.3020
96	G	B	0.0191
97	V	B	1.5075
98	Y	B	1.8137
99	A	B	1.2330
100	T	B	0.8741
101	A	B	0.0000
102	A	B	0.6076
103	A	B	0.2263
104	Y	B	0.0000
105	A	B	-0.0359
106	G	B	-0.1715
107	A	B	-0.0004
108	S	B	0.0000
109	L	B	0.2490
110	A	B	0.1840
111	G	B	0.2852
112	S	B	0.0000
113	L	B	0.6517
114	A	B	0.6783
115	M	B	1.2017
116	T	B	0.0000
117	G	B	0.8528
118	L	B	1.5730
119	G	B	0.0000
120	L	B	0.7431
121	A	B	0.8853
122	T	B	1.2307
123	V	B	0.0000
124	R	B	0.1944
125	L	B	1.7268
126	L	B	1.9511
127	L	B	1.1327
128	R	B	-0.6535
3	S	C	-0.2448
4	S	C	-0.2365
5	V	C	-0.2931
6	P	C	0.0000
7	T	C	-1.6529
8	K	C	-2.6398
9	L	C	0.0000
10	E	C	-1.9534
11	V	C	0.0000
12	V	C	1.4428
13	A	C	0.8447
14	A	C	0.3270
15	T	C	-0.1743
16	P	C	-1.0425
17	T	C	-0.9759
18	S	C	-0.5261
19	L	C	0.0000
20	L	C	0.6831
21	I	C	0.0000
22	S	C	-0.9230
23	W	C	0.0000
24	D	C	-2.6455
25	A	C	-1.0723
26	P	C	0.0649
27	A	C	0.6220
28	V	C	1.6212
29	T	C	0.3161
30	V	C	0.0000
31	D	C	-1.0211
32	H	C	-0.9361
33	Y	C	0.0000
34	V	C	0.0000
35	I	C	0.0000
36	T	C	0.0000
37	Y	C	-0.6066
38	G	C	0.0000
39	E	C	-1.7671
40	T	C	-1.2000
41	G	C	-0.5556
42	A	C	0.0610
43	Y	C	0.7423
44	W	C	1.1857
45	S	C	0.1350
46	Y	C	0.0000
47	Q	C	-1.0756
48	E	C	-0.6565
49	F	C	0.0839
50	T	C	0.0157
51	V	C	0.0000
52	P	C	-1.0300
53	G	C	0.0000
54	S	C	-0.9632
55	K	C	-1.7610
56	S	C	-1.2516
57	T	C	-0.6429
58	A	C	0.0000
59	T	C	0.2472
60	I	C	0.0000
61	S	C	-0.6555
62	G	C	-1.0200
63	L	C	0.0000
64	K	C	-2.4570
65	P	C	-1.6978
66	G	C	-1.3594
67	V	C	-1.5700
68	D	C	-2.1698
69	Y	C	0.0000
70	T	C	-1.0619
71	I	C	0.0000
72	T	C	-0.1135
73	V	C	0.0000
74	Y	C	0.2017
75	A	C	0.0000
76	N	C	0.0000
77	P	C	-0.1047
78	Y	C	-0.3425
79	S	C	-0.5455
80	D	C	-0.8275
81	A	C	0.0000
82	P	C	-0.2007
83	I	C	0.2294
84	Y	C	0.3578
85	Y	C	0.0000
86	S	C	0.3338
87	Y	C	0.5937
88	H	C	0.1399
89	S	C	-0.0902
90	P	C	0.0190
91	I	C	-0.2525
92	S	C	-0.5932
93	I	C	-0.8161
94	N	C	-1.8381
95	Y	C	-1.4732
96	R	C	-2.5674
97	T	C	-1.5878