Project name: query_structure

Chain sequence(s)	A: LTYAPLNFIAIGIGATLGAWLRWVLGLKLNGAGWPWGTLTANLVGGYLIGVMVALIASHPEWPAWIRLAAVTGFLGGLTTFSTFSAETVDMLCRGVYATAAAYAGASLAGSLAMTGLGLATVRLLLR; C: TYAPLNFIAIGIGATLGAWLRWVLGLKLNGAGWPWGTLTANLVGGYLIGVMVALIASHPEWPAWIRLAAVTGFLGGLTTFSTFSAETVDMLCRGVYATAAAYAGASLAGSLAMTGLGLATVRLLLR; B: APLNFIAIGIGATLGAWLRWVLGLKLNGAGWPWGTLTANLVGGYLIGVMVALIASHPEWPAWIRLAAVTGFLGGLTTFSTFSAETVDMLCRGVYATAAAYAGASLAGSLAMTGLGLATTVRLLLR; E: SSVPTKLEVVAATPTSLLISWDAYYDEVMYYRITYGETSPVQEFTVPGSSSTATISGLKPGVDYTITVYAYYDSYGHWSPISINYRT; D: APLNFIAIGIGATLGAWLRWVLGLKLNGAGWPWGTLTANLVGGYLIGVMVALIASHPEWPAWIRLAAVTGFLGGLTTFSTFSAETVDMLCRGVYATAAAYAGASLAGSLAMTGLGLATVRLLLR; G: SVSSVPTKLEVVAATPTSLLISWDAYYDEVMYYRITYGETPVQEFTVPGSSSTATISGLKPGVDYTITVYAYYDSYGHWSPISINYRT; F: SSVPTKLEVVAATPTSLLISWDAYYDEVMYYRITYGETPVQEFTVPGSSSTATISGLKPGVDYTITVYAYYDSYGHWSPISINYRT; H: SVSSVPTKLEVVAATPTSLLISWDAYYDEVMYYRITYGETVQEFTVPGSSSTATISGLKPGVDYTITVYAYYDSYGHWSPISINYRT
Selected Chain(s)	A,C,B,E,D,G,F,H
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                                          (00:05:38)
[INFO]       Main:     Simulation completed successfully.                                          (00:05:48)

• Minimal score value: -2.9225
• Maximal score value: 3.3693
• Average score: 0.1135
• Total score value: 96.3602

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	L	A	1.9346
3	T	A	1.4307
4	Y	A	1.9781
5	A	A	1.8237
6	P	A	1.4717
7	L	A	2.5236
8	N	A	0.0000
9	F	A	2.5110
10	I	A	3.2778
11	A	A	0.0000
12	I	A	0.0000
13	G	A	0.0000
14	I	A	3.2721
15	G	A	0.0000
16	A	A	0.0000
17	T	A	2.5281
18	L	A	2.4915
19	G	A	0.0000
20	A	A	0.0000
21	W	A	1.7484
22	L	A	1.6709
23	R	A	0.0000
24	W	A	1.2370
25	V	A	1.3851
26	L	A	0.8921
27	G	A	0.8083
28	L	A	1.1807
29	K	A	-0.4469
30	L	A	0.3315
31	N	A	0.3163
32	G	A	-0.0386
33	A	A	-0.0417
34	G	A	-0.1957
35	W	A	0.3183
36	P	A	0.0000
37	W	A	0.5754
38	G	A	0.0000
39	T	A	0.0000
40	L	A	0.0000
41	T	A	0.5043
42	A	A	0.0000
43	N	A	0.0000
44	L	A	0.7533
45	V	A	0.9232
46	G	A	0.0000
47	G	A	0.0000
48	Y	A	1.3339
49	L	A	1.1866
50	I	A	0.0000
51	G	A	0.0000
52	V	A	0.8167
53	M	A	0.7139
54	V	A	0.4944
55	A	A	0.0000
56	L	A	0.3806
57	I	A	0.0000
58	A	A	-0.4221
59	S	A	-0.3869
60	H	A	-0.8195
61	P	A	-1.0551
62	E	A	-1.8618
63	W	A	-0.5067
64	P	A	-0.2962
65	A	A	0.1932
66	W	A	1.6762
67	I	A	0.7792
68	R	A	0.4267
69	L	A	0.0000
70	A	A	1.3888
71	A	A	0.8102
72	V	A	0.0000
73	T	A	0.0000
74	G	A	0.0000
75	F	A	1.2690
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	0.0000
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	0.5618
91	D	A	0.1264
92	M	A	0.0000
93	L	A	1.0608
94	C	A	0.8140
95	R	A	0.2234
96	G	A	0.5055
97	V	A	0.9750
98	Y	A	1.6150
99	A	A	0.8540
100	T	A	0.5979
101	A	A	0.0000
102	A	A	0.5022
103	A	A	0.2677
104	Y	A	0.0000
105	A	A	0.0554
106	G	A	-0.0971
107	A	A	0.0593
108	S	A	0.0000
109	L	A	0.3481
110	A	A	0.2399
111	G	A	0.2749
112	S	A	0.0000
113	L	A	0.7279
114	A	A	0.7494
115	M	A	1.2131
116	T	A	0.0000
117	G	A	0.9198
118	L	A	1.5052
119	G	A	0.0000
120	L	A	0.7157
121	A	A	0.7220
122	T	A	0.9398
123	V	A	0.0000
124	R	A	-0.4049
125	L	A	0.9832
126	L	A	1.6627
127	L	A	1.0246
128	R	A	-0.7631
5	A	B	0.7412
6	P	B	1.1568
7	L	B	2.2775
8	N	B	1.7322
9	F	B	2.5985
10	I	B	3.3693
11	A	B	0.0000
12	I	B	0.0000
13	G	B	0.0000
14	I	B	3.1440
15	G	B	0.0000
16	A	B	0.0000
17	T	B	2.4480
18	L	B	2.2938
19	G	B	0.0000
20	A	B	0.0000
21	W	B	1.6255
22	L	B	1.4578
23	R	B	0.0000
24	W	B	0.0000
25	V	B	0.8660
26	L	B	0.5410
27	G	B	0.4408
28	L	B	0.6257
29	K	B	-0.7787
30	L	B	0.3679
31	N	B	0.2783
32	G	B	-0.0331
33	A	B	-0.0028
34	G	B	-0.2455
35	W	B	0.2463
36	P	B	0.0000
37	W	B	0.8970
38	G	B	0.0000
39	T	B	0.0000
40	L	B	0.0000
41	T	B	0.6302
42	A	B	0.0000
43	N	B	0.0000
44	L	B	0.8539
45	V	B	1.0247
46	G	B	0.0000
47	G	B	0.0000
48	Y	B	1.3337
49	L	B	1.1751
50	I	B	0.0000
51	G	B	0.0000
52	V	B	0.8619
53	M	B	0.6470
54	V	B	0.4982
55	A	B	0.0000
56	L	B	0.4895
57	I	B	0.0000
58	A	B	-0.2371
59	S	B	-0.2095
60	H	B	-0.7219
61	P	B	0.0000
62	E	B	-1.7418
63	W	B	-0.5122
64	P	B	-0.2829
65	A	B	0.0471
66	W	B	1.5238
67	I	B	0.8058
68	R	B	0.0000
69	L	B	0.0000
70	A	B	1.5376
71	A	B	0.6938
72	V	B	0.0000
73	T	B	0.0000
74	G	B	0.0000
75	F	B	1.2811
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	0.0000
85	F	B	0.0000
86	S	B	0.0000
87	A	B	0.0000
88	E	B	0.0000
89	T	B	0.0000
90	V	B	0.5163
91	D	B	0.0944
92	M	B	0.0000
93	L	B	1.0455
94	C	B	0.7797
95	R	B	0.0916
96	G	B	0.3038
97	V	B	0.9598
98	Y	B	1.6094
99	A	B	0.8516
100	T	B	0.5860
101	A	B	0.0000
102	A	B	0.4996
103	A	B	0.2043
104	Y	B	0.0000
105	A	B	0.0314
106	G	B	-0.1428
107	A	B	0.0377
108	S	B	0.0000
109	L	B	0.3013
110	A	B	0.2106
111	G	B	0.2068
112	S	B	0.0000
113	L	B	0.7048
114	A	B	0.7320
115	M	B	1.2155
116	T	B	0.0000
117	G	B	0.7856
118	L	B	1.4688
119	G	B	0.0000
120	L	B	0.8669
121	A	B	0.8102
122	T	B	1.2026
123	V	B	0.0000
124	R	B	0.3303
125	L	B	1.6835
126	L	B	2.1523
127	L	B	1.5268
128	R	B	-0.4631
3	T	C	0.3811
4	Y	C	1.4803
5	A	C	1.3134
6	P	C	1.2608
7	L	C	2.2650
8	N	C	0.0000
9	F	C	2.4863
10	I	C	3.1786
11	A	C	0.0000
12	I	C	0.0000
13	G	C	0.0000
14	I	C	3.1448
15	G	C	0.0000
16	A	C	0.0000
17	T	C	2.4498
18	L	C	2.4773
19	G	C	0.0000
20	A	C	0.0000
21	W	C	1.6966
22	L	C	1.6116
23	R	C	0.0000
24	W	C	1.1947
25	V	C	1.1980
26	L	C	0.8564
27	G	C	0.7801
28	L	C	1.1747
29	K	C	-0.4530
30	L	C	0.3563
31	N	C	0.2852
32	G	C	-0.1096
33	A	C	-0.0725
34	G	C	-0.2143
35	W	C	0.3115
36	P	C	0.0000
37	W	C	0.7552
38	G	C	0.0000
39	T	C	0.0000
40	L	C	0.0000
41	T	C	0.5274
42	A	C	0.0000
43	N	C	0.0000
44	L	C	0.7513
45	V	C	0.9178
46	G	C	0.0000
47	G	C	0.0000
48	Y	C	1.3289
49	L	C	1.1494
50	I	C	0.0000
51	G	C	0.0000
52	V	C	0.8089
53	M	C	0.5969
54	V	C	0.0000
55	A	C	0.0000
56	L	C	0.3356
57	I	C	0.0000
58	A	C	-0.2963
59	S	C	-0.3389
60	H	C	-0.8082
61	P	C	-1.0188
62	E	C	-1.8162
63	W	C	-0.4479
64	P	C	-0.3294
65	A	C	-0.0669
66	W	C	1.3956
67	I	C	0.7566
68	R	C	0.3584
69	L	C	0.0000
70	A	C	1.3270
71	A	C	0.7823
72	V	C	0.0000
73	T	C	0.0000
74	G	C	0.0000
75	F	C	1.2630
76	L	C	0.0000
77	G	C	0.0000
78	G	C	0.0000
79	L	C	0.0000
80	T	C	0.0000
81	T	C	0.0000
82	F	C	0.0000
83	S	C	0.0000
84	T	C	0.0000
85	F	C	0.0000
86	S	C	0.0000
87	A	C	0.0000
88	E	C	0.0000
89	T	C	0.0000
90	V	C	0.5658
91	D	C	0.1286
92	M	C	0.0000
93	L	C	1.0597
94	C	C	0.7959
95	R	C	0.2160
96	G	C	0.4607
97	V	C	1.0039
98	Y	C	1.6271
99	A	C	0.8650
100	T	C	0.5537
101	A	C	0.0000
102	A	C	0.5024
103	A	C	0.2650
104	Y	C	0.0000
105	A	C	0.0425
106	G	C	-0.0972
107	A	C	0.0367
108	S	C	0.0000
109	L	C	0.3087
110	A	C	0.2148
111	G	C	0.2592
112	S	C	0.0000
113	L	C	0.6761
114	A	C	0.7239
115	M	C	1.2296
116	T	C	0.0000
117	G	C	0.8972
118	L	C	1.5969
119	G	C	0.0000
120	L	C	0.7757
121	A	C	0.8597
122	T	C	1.2180
123	V	C	0.0000
124	R	C	0.2342
125	L	C	1.5834
126	L	C	2.0119
127	L	C	1.3041
128	R	C	-0.5603
5	A	D	0.7393
6	P	D	1.1561
7	L	D	2.3813
8	N	D	1.6755
9	F	D	2.4829
10	I	D	3.2363
11	A	D	0.0000
12	I	D	0.0000
13	G	D	0.0000
14	I	D	2.8387
15	G	D	0.0000
16	A	D	0.0000
17	T	D	2.3698
18	L	D	2.3523
19	G	D	0.0000
20	A	D	0.0000
21	W	D	1.6332
22	L	D	1.3762
23	R	D	0.0000
24	W	D	0.0000
25	V	D	0.7993
26	L	D	0.4716
27	G	D	0.0000
28	L	D	0.2792
29	K	D	-0.9706
30	L	D	0.1123
31	N	D	0.1325
32	G	D	-0.0549
33	A	D	0.0819
34	G	D	-0.1220
35	W	D	0.3545
36	P	D	0.0000
37	W	D	0.7536
38	G	D	0.0000
39	T	D	0.0000
40	L	D	0.0000
41	T	D	0.5764
42	A	D	0.0000
43	N	D	0.0000
44	L	D	0.7951
45	V	D	1.0025
46	G	D	0.0000
47	G	D	0.0000
48	Y	D	1.4024
49	L	D	1.2079
50	I	D	0.0000
51	G	D	0.0000
52	V	D	0.8320
53	M	D	0.6757
54	V	D	0.4772
55	A	D	0.0000
56	L	D	0.2247
57	I	D	0.0000
58	A	D	-0.2748
59	S	D	-0.3591
60	H	D	-0.8251
61	P	D	0.0000
62	E	D	-1.6276
63	W	D	-0.4435
64	P	D	-0.0076
65	A	D	-0.0309
66	W	D	1.4316
67	I	D	0.8614
68	R	D	0.0000
69	L	D	0.0000
70	A	D	1.3109
71	A	D	0.6566
72	V	D	0.0000
73	T	D	0.0000
74	G	D	0.0000
75	F	D	1.2216
76	L	D	0.0000
77	G	D	0.0000
78	G	D	0.0000
79	L	D	0.0000
80	T	D	0.0000
81	T	D	0.0000
82	F	D	0.0000
83	S	D	0.0000
84	T	D	0.0000
85	F	D	0.0000
86	S	D	0.0000
87	A	D	0.0000
88	E	D	0.0000
89	T	D	0.0000
90	V	D	0.0000
91	D	D	0.0238
92	M	D	0.0000
93	L	D	1.0418
94	C	D	0.7832
95	R	D	0.2916
96	G	D	0.5209
97	V	D	1.0829
98	Y	D	1.6552
99	A	D	0.8823
100	T	D	0.6345
101	A	D	0.0000
102	A	D	0.5430
103	A	D	0.2802
104	Y	D	0.0000
105	A	D	0.0476
106	G	D	-0.1107
107	A	D	0.0456
108	S	D	0.0000
109	L	D	0.2895
110	A	D	0.2201
111	G	D	0.2714
112	S	D	0.0000
113	L	D	0.7478
114	A	D	0.7945
115	M	D	1.2933
116	T	D	0.0000
117	G	D	1.0121
118	L	D	1.6550
119	G	D	0.0000
120	L	D	0.7561
121	A	D	0.8373
122	T	D	1.0827
123	V	D	0.0000
124	R	D	-0.2820
125	L	D	1.1478
126	L	D	1.8440
127	L	D	1.2289
128	R	D	-0.6365
3	S	E	-0.5681
4	S	E	-0.4616
5	V	E	0.0000
6	P	E	0.0000
7	T	E	-1.2228
8	K	E	-2.4367
9	L	E	-1.5691
10	E	E	-1.6661
11	V	E	0.4717
12	V	E	1.3930
13	A	E	0.8296
14	A	E	0.4833
15	T	E	-0.1257
16	P	E	-0.7247
17	T	E	-0.8470
18	S	E	-0.1788
19	L	E	0.0000
20	L	E	0.6841
21	I	E	0.0000
22	S	E	-0.7148
23	W	E	0.0000
24	D	E	-2.1633
25	A	E	-0.7649
26	Y	E	-0.2613
27	Y	E	0.2268
28	D	E	-1.0481
29	E	E	-1.6507
30	V	E	0.0000
31	M	E	-0.2788
32	Y	E	-0.2740
33	Y	E	0.0000
34	R	E	0.0000
35	I	E	0.0000
36	T	E	0.0000
37	Y	E	-0.2319
38	G	E	0.0000
39	E	E	-2.4013
40	T	E	-1.3095
44	S	E	-0.4056
45	P	E	-0.1174
46	V	E	0.5209
47	Q	E	-0.3486
48	E	E	-0.3622
49	F	E	0.1012
50	T	E	0.1288
51	V	E	0.2067
52	P	E	-0.1757
53	G	E	-0.3201
54	S	E	-0.3151
55	S	E	-0.2521
56	S	E	-0.6061
57	T	E	-0.2508
58	A	E	0.0000
59	T	E	0.1235
60	I	E	0.0000
61	S	E	-0.3106
62	G	E	-0.9082
63	L	E	0.0000
64	K	E	-1.6127
65	P	E	-1.2016
66	G	E	-1.3572
67	V	E	-1.7746
68	D	E	-2.9225
69	Y	E	0.0000
70	T	E	-1.1411
71	I	E	0.0000
72	T	E	-0.0973
73	V	E	0.0000
74	Y	E	0.1345
75	A	E	0.0000
76	Y	E	0.0000
77	Y	E	0.0000
78	D	E	-0.3193
79	S	E	0.0000
80	Y	E	0.0000
81	G	E	0.0000
82	H	E	-0.1769
83	W	E	0.0000
84	S	E	-0.1958
85	P	E	-0.0575
86	I	E	-0.1264
87	S	E	-0.3446
88	I	E	-0.5719
89	N	E	-1.8245
90	Y	E	-1.5843
91	R	E	-2.8202
92	T	E	-1.5599
3	S	F	-0.5846
4	S	F	-0.4359
5	V	F	0.0000
6	P	F	0.0000
7	T	F	-1.1735
8	K	F	-2.2045
9	L	F	0.0000
10	E	F	-1.0874
11	V	F	0.8073
12	V	F	1.7565
13	A	F	1.0068
14	A	F	0.5382
15	T	F	-0.1582
16	P	F	-0.6601
17	T	F	0.0000
18	S	F	-0.2658
19	L	F	0.0000
20	L	F	0.8473
21	I	F	0.0000
22	S	F	-0.4669
23	W	F	0.0000
24	D	F	-2.0261
25	A	F	-0.8019
26	Y	F	0.1387
27	Y	F	0.7749
28	D	F	-0.1694
29	E	F	-0.7049
30	V	F	0.0000
31	M	F	-0.1166
32	Y	F	0.0000
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