Project name: 2d14b3c861949c0

Chain sequence(s)	A: MDVFMKGLSKAKEGVVAAAEKTKQGVAEAAGKTKEGVLYVGSKTKEGVVHGVATVAEKTKEQVTNVGGAVVTGVTAVAQKTVEGAGSIAAATGFVKKDQL; C: MDVFMKGLSKAKEGVVAAAEKTKQGVAEAAGKTKEGVLYVGSKTKEGVVHGVATVAEKTKEQVTNVGGAVVTGVTAVAQKTVEGAGSIAAATGFVKKDQL; B: MDVFMKGLSKAKEGVVAAAEKTKQGVAEAAGKTKEGVLYVGSKTKEGVVHGVATVAEKTKEQVTNVGGAVVTGVTAVAQKTVEGAGSIAAATGFVKKDQL; E: MDVFMKGLSKAKEGVVAAAEKTKQGVAEAAGKTKEGVLYVGSKTKEGVVHGVATVAEKTKEQVTNVGGAVVTGVTAVAQKTVEGAGSIAAATGFVKKDQL; D: MDVFMKGLSKAKEGVVAAAEKTKQGVAEAAGKTKEGVLYVGSKTKEGVVHGVATVAEKTKEQVTNVGGAVVTGVTAVAQKTVEGAGSIAAATGFVKKDQL; G: MDVFMKGLSKAKEGVVAAAEKTKQGVAEAAGKTKEGVLYVGSKTKEGVVHGVATVAEKTKEQVTNVGGAVVTGVTAVAQKTVEGAGSIAAATGFVKKDQL; F: MDVFMKGLSKAKEGVVAAAEKTKQGVAEAAGKTKEGVLYVGSKTKEGVVHGVATVAEKTKEQVTNVGGAVVTGVTAVAQKTVEGAGSIAAATGFVKKDQL; I: MDVFMKGLSKAKEGVVAAAEKTKQGVAEAAGKTKEGVLYVGSKTKEGVVHGVATVAEKTKEQVTNVGGAVVTGVTAVAQKTVEGAGSIAAATGFVKKDQL; H: MDVFMKGLSKAKEGVVAAAEKTKQGVAEAAGKTKEGVLYVGSKTKEGVVHGVATVAEKTKEQVTNVGGAVVTGVTAVAQKTVEGAGSIAAATGFVKKDQL; K: MDVFMKGLSKAKEGVVAAAEKTKQGVAEAAGKTKEGVLYVGSKTKEGVVHGVATVAEKTKEQVTNVGGAVVTGVTAVAQKTVEGAGSIAAATGFVKKDQL; J: MDVFMKGLSKAKEGVVAAAEKTKQGVAEAAGKTKEGVLYVGSKTKEGVVHGVATVAEKTKEQVTNVGGAVVTGVTAVAQKTVEGAGSIAAATGFVKKDQL; M: MDVFMKGLSKAKEGVVAAAEKTKQGVAEAAGKTKEGVLYVGSKTKEGVVHGVATVAEKTKEQVTNVGGAVVTGVTAVAQKTVEGAGSIAAATGFVKKDQL; L: MDVFMKGLSKAKEGVVAAAEKTKQGVAEAAGKTKEGVLYVGSKTKEGVVHGVATVAEKTKEQVTNVGGAVVTGVTAVAQKTVEGAGSIAAATGFVKKDQL; O: MDVFMKGLSKAKEGVVAAAEKTKQGVAEAAGKTKEGVLYVGSKTKEGVVHGVATVAEKTKEQVTNVGGAVVTGVTAVAQKTVEGAGSIAAATGFVKKDQL; N: MDVFMKGLSKAKEGVVAAAEKTKQGVAEAAGKTKEGVLYVGSKTKEGVVHGVATVAEKTKEQVTNVGGAVVTGVTAVAQKTVEGAGSIAAATGFVKKDQL
Selected Chain(s)	A,C,B,E,D,G,F,I,H,K,J,M,L,O,N
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                                        (00:00:01)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (01:16:23)
[INFO]       Main:     Simulation completed successfully.                                          (01:17:02)

• Minimal score value: -4.6884
• Maximal score value: 2.3581
• Average score: -0.5191
• Total score value: -778.5842

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	M	A	0.2682
2	D	A	-0.5420
3	V	A	0.9337
4	F	A	1.1428
5	M	A	0.3341
6	K	A	-1.0459
7	G	A	-1.1206
8	L	A	-0.8225
9	S	A	-1.4439
10	K	A	-2.8624
11	A	A	-2.9396
12	K	A	-3.8183
13	E	A	-3.4767
14	G	A	-1.5784
15	V	A	0.8955
16	V	A	1.6880
17	A	A	0.6872
18	A	A	-0.1335
19	A	A	-0.9338
20	E	A	-2.4459
21	K	A	-3.1653
22	T	A	-2.1303
23	K	A	-1.6787
24	Q	A	-1.1207
25	G	A	-0.9460
26	V	A	-0.6020
27	A	A	-0.6914
28	E	A	-1.1106
29	A	A	-0.6124
30	A	A	-0.8831
31	G	A	-1.2998
32	K	A	-1.8560
33	T	A	-1.4136
34	K	A	-1.1412
35	E	A	-1.3039
36	G	A	-0.7721
37	V	A	0.4560
38	L	A	1.8478
39	Y	A	2.1824
40	V	A	2.0231
41	G	A	0.3442
42	S	A	-0.4628
43	K	A	-1.4340
44	T	A	-1.2536
45	K	A	0.0000
46	E	A	-2.0211
47	G	A	-0.8741
48	V	A	0.7990
49	V	A	1.1258
50	H	A	-0.3034
51	G	A	-0.1793
52	V	A	0.7397
53	A	A	0.8449
54	T	A	1.2144
55	V	A	0.9442
56	A	A	-1.1988
57	E	A	-2.7561
58	K	A	-3.6316
59	T	A	-3.7392
60	K	A	-3.8234
61	E	A	-2.8655
62	Q	A	-0.8952
63	V	A	0.5852
64	T	A	0.3370
65	N	A	-0.0554
66	V	A	0.2315
67	G	A	0.2874
68	G	A	-0.1942
69	A	A	-0.5080
70	V	A	-0.0637
71	V	A	0.3771
72	T	A	-0.0584
73	G	A	-0.3199
74	V	A	0.2823
75	T	A	0.2462
76	A	A	1.1564
77	V	A	1.1021
78	A	A	0.3542
79	Q	A	-0.6482
80	K	A	-1.0242
81	T	A	-0.9730
82	V	A	-0.8942
83	E	A	-2.3925
84	G	A	-1.9909
85	A	A	-0.9798
86	G	A	-0.3036
87	S	A	0.9661
88	I	A	2.2276
89	A	A	0.8042
90	A	A	0.3300
91	A	A	-0.6644
92	T	A	-0.3697
93	G	A	-0.4189
94	F	A	0.3142
95	V	A	-0.0784
96	K	A	-1.3032
97	K	A	-2.5826
98	D	A	-1.6665
99	Q	A	-1.0363
100	L	A	1.4299
1	M	B	-0.0482
2	D	B	-0.1980
3	V	B	0.0000
4	F	B	0.7200
5	M	B	0.0000
6	K	B	-0.5354
7	G	B	0.0000
8	L	B	0.0000
9	S	B	0.0000
10	K	B	-2.7383
11	A	B	-3.6407
12	K	B	-4.6884
13	E	B	-3.6987
14	G	B	-1.7154
15	V	B	0.4049
16	V	B	0.0000
17	A	B	0.4377
18	A	B	0.0000
19	A	B	0.0000
20	E	B	-2.1048
21	K	B	-3.1353
22	T	B	0.0000
23	K	B	-1.4306
24	Q	B	-0.7922
25	G	B	0.0000
26	V	B	0.0000
27	A	B	0.0000
28	E	B	0.0000
29	A	B	0.0000
30	A	B	0.0000
31	G	B	0.0000
32	K	B	-1.7411
33	T	B	0.0000
34	K	B	-1.1753
35	E	B	0.0000
36	G	B	0.0000
37	V	B	0.0000
38	L	B	0.0000
39	Y	B	1.3240
40	V	B	0.0000
41	G	B	0.3121
42	S	B	0.0000
43	K	B	-1.1170
44	T	B	0.0000
45	K	B	0.0000
46	E	B	-1.6560
47	G	B	-0.6399
48	V	B	0.2558
49	V	B	0.0000
50	H	B	-0.2944
51	G	B	-0.4942
52	V	B	0.0000
53	A	B	0.5938
54	T	B	0.0000
55	V	B	0.6010
56	A	B	0.0000
57	E	B	-2.1591
58	K	B	-3.5981
59	T	B	0.0000
60	K	B	-4.1809
61	E	B	-2.9023
62	Q	B	0.0000
63	V	B	0.4119
64	T	B	0.0000
65	N	B	0.0000
66	V	B	0.0000
67	G	B	0.0000
68	G	B	-0.0644
69	A	B	0.0000
70	V	B	0.0000
71	V	B	0.0000
72	T	B	-0.1211
73	G	B	-0.3851
74	V	B	0.0000
75	T	B	0.1723
76	A	B	0.0000
77	V	B	0.8452
78	A	B	0.0000
79	Q	B	-0.4042
80	K	B	0.0000
81	T	B	-1.1561
82	V	B	0.0000
83	E	B	-2.9979
84	G	B	-2.1756
85	A	B	-1.1338
86	G	B	-0.1734
87	S	B	0.0000
88	I	B	1.8301
89	A	B	0.0000
90	A	B	0.4957
91	A	B	0.0000
92	T	B	-0.1266
93	G	B	0.0000
94	F	B	0.0000
95	V	B	-0.1510
96	K	B	0.0000
97	K	B	-2.2104
98	D	B	0.0000
99	Q	B	-0.6087
100	L	B	1.7287
1	M	C	-0.0267
2	D	C	-0.6080
3	V	C	0.0000
4	F	C	0.6421
5	M	C	0.0000
6	K	C	-0.3911
7	G	C	0.0000
8	L	C	-0.3716
9	S	C	0.0000
10	K	C	-2.4634
11	A	C	-3.1866
12	K	C	-4.3432
13	E	C	-3.7144
14	G	C	-1.7509
15	V	C	0.1410
16	V	C	0.0000
17	A	C	0.1041
18	A	C	0.0000
19	A	C	0.0000
20	E	C	0.0000
21	K	C	-2.0933
22	T	C	0.0000
23	K	C	-1.2254
24	Q	C	-0.6007
25	G	C	0.0000
26	V	C	0.0000
27	A	C	0.0000
28	E	C	0.0000
29	A	C	0.0000
30	A	C	0.0000
31	G	C	0.0000
32	K	C	-1.7406
33	T	C	0.0000
34	K	C	-1.1352
35	E	C	0.0000
36	G	C	0.0000
37	V	C	0.0000
38	L	C	0.0000
39	Y	C	0.9419
40	V	C	0.0000
41	G	C	-0.0211
42	S	C	0.0000
43	K	C	-0.9552
44	T	C	0.0000
45	K	C	0.0000
46	E	C	-1.6701
47	G	C	-0.7504
48	V	C	0.4126
49	V	C	0.0000
50	H	C	-0.9407
51	G	C	-0.8611
52	V	C	0.0000
53	A	C	0.2348
54	T	C	0.0000
55	V	C	0.7952
56	A	C	0.0000
57	E	C	-2.1625
58	K	C	-3.7803
59	T	C	0.0000
60	K	C	-4.2334
61	E	C	-3.0720
62	Q	C	0.0000
63	V	C	0.7131
64	T	C	0.0000
65	N	C	0.0000
66	V	C	0.0000
67	G	C	0.0000
68	G	C	-0.1791
69	A	C	0.0000
70	V	C	0.0000
71	V	C	0.0000
72	T	C	-0.3486
73	G	C	-0.5273
74	V	C	0.0000
75	T	C	0.0100
76	A	C	0.0000
77	V	C	0.9578
78	A	C	0.0000
79	Q	C	-0.3408
80	K	C	0.0000
81	T	C	-1.1771
82	V	C	0.0000
83	E	C	-3.1619
84	G	C	-2.2554
85	A	C	-1.1201
86	G	C	-0.2516
87	S	C	0.0000
88	I	C	1.8536
89	A	C	0.0000
90	A	C	0.2894
91	A	C	0.0000
92	T	C	-0.2803
93	G	C	0.0000
94	F	C	0.0000
95	V	C	0.2209
96	K	C	0.0000
97	K	C	-1.7422
98	D	C	0.0000
99	Q	C	-0.2849
100	L	C	1.7840
1	M	D	0.0737
2	D	D	-0.1669
3	V	D	0.0000
4	F	D	0.6830
5	M	D	0.0000
6	K	D	-0.3719
7	G	D	0.0000
8	L	D	-0.5564
9	S	D	0.0000
10	K	D	-2.5335
11	A	D	-3.3243
12	K	D	-4.5440
13	E	D	-3.3591
14	G	D	-1.7884
15	V	D	0.4159
16	V	D	0.0000
17	A	D	0.3888
18	A	D	0.0000
19	A	D	0.0000
20	E	D	0.0000
21	K	D	-2.2714
22	T	D	0.0000
23	K	D	-1.6922
24	Q	D	-1.1893
25	G	D	0.0000
26	V	D	0.0000
27	A	D	0.0000
28	E	D	0.0000
29	A	D	0.0000
30	A	D	0.0000
31	G	D	0.0000
32	K	D	-2.4035
33	T	D	0.0000
34	K	D	-1.6698
35	E	D	0.0000
36	G	D	0.0000
37	V	D	0.0000
38	L	D	0.0000
39	Y	D	1.0061
40	V	D	0.0000
41	G	D	-0.1355
42	S	D	0.0000
43	K	D	-1.3003
44	T	D	0.0000
45	K	D	0.0000
46	E	D	-2.1037
47	G	D	-0.9699
48	V	D	0.1646
49	V	D	0.0000
50	H	D	-0.6430
51	G	D	-0.8386
52	V	D	0.0000
53	A	D	0.4222
54	T	D	0.0000
55	V	D	0.7053
56	A	D	0.0000
57	E	D	-2.3917
58	K	D	-3.8663
59	T	D	0.0000
60	K	D	-4.5672
61	E	D	-2.9202
62	Q	D	0.0000
63	V	D	0.5948
64	T	D	0.0000
65	N	D	0.0000
66	V	D	0.0000
67	G	D	0.0000
68	G	D	-0.2523
69	A	D	0.0000
70	V	D	0.0000
71	V	D	0.0000
72	T	D	-0.2144
73	G	D	-0.4144
74	V	D	0.0000
75	T	D	0.3008
76	A	D	0.0000
77	V	D	1.0155
78	A	D	0.0000
79	Q	D	-0.4179
80	K	D	0.0000
81	T	D	-1.5309
82	V	D	0.0000
83	E	D	-3.3486
84	G	D	-2.2210
85	A	D	-1.2895
86	G	D	-0.2004
87	S	D	0.0000
88	I	D	2.0246
89	A	D	0.0000
90	A	D	0.3688
91	A	D	0.0000
92	T	D	-0.1783
93	G	D	0.0000
94	F	D	0.0000
95	V	D	0.4271
96	K	D	0.0000
97	K	D	-2.1000
98	D	D	0.0000
99	Q	D	-0.9166
100	L	D	1.2741
1	M	E	0.1602
2	D	E	-0.0718
3	V	E	0.0000
4	F	E	1.5741
5	M	E	0.2850
6	K	E	-0.9874
7	G	E	0.0000
8	L	E	-0.3500
9	S	E	-1.2964
10	K	E	-2.8033
11	A	E	-2.9047
12	K	E	-3.9869
13	E	E	-3.1381
14	G	E	-1.0355
15	V	E	1.2461
16	V	E	1.0802
17	A	E	0.1520
18	A	E	-0.7681
19	A	E	-0.7997
20	E	E	-1.6417
21	K	E	-2.5889
22	T	E	-2.0283
23	K	E	-2.3442
24	Q	E	-1.7233
25	G	E	-1.0677
26	V	E	-0.6677
27	A	E	-0.4334
28	E	E	-0.6750
29	A	E	-0.1962
30	A	E	-0.7664
31	G	E	0.0000
32	K	E	-2.6224
33	T	E	-2.0513
34	K	E	-2.4520
35	E	E	-1.4587
36	G	E	0.0000
37	V	E	0.0986
38	L	E	0.0000
39	Y	E	1.5630
40	V	E	0.8786
41	G	E	-0.0722
42	S	E	0.0000
43	K	E	-1.7642
44	T	E	-1.8080
45	K	E	-2.7576
46	E	E	-2.5802
47	G	E	-1.0202
48	V	E	0.8306
49	V	E	0.4470
50	H	E	-0.7929
51	G	E	-0.7411
52	V	E	-0.1441
53	A	E	0.4830
54	T	E	1.0813
55	V	E	1.0672
56	A	E	0.0000
57	E	E	-2.8049
58	K	E	-3.6324
59	T	E	-3.3535
60	K	E	-4.1734
61	E	E	-3.1959
62	Q	E	-0.7245
63	V	E	1.2047
64	T	E	0.7668
65	N	E	0.2936
66	V	E	0.4005
67	G	E	0.0000
68	G	E	-0.3446
69	A	E	-0.3182
70	V	E	0.4567
71	V	E	0.5505
72	T	E	-0.0321
73	G	E	-0.3276
74	V	E	0.2059
75	T	E	0.4169
76	A	E	1.2073
77	V	E	1.6912
78	A	E	0.4529
79	Q	E	-1.0065
80	K	E	-1.4821
81	T	E	-1.4914
82	V	E	-1.6891
83	E	E	-2.9805
84	G	E	-1.8170
85	A	E	-1.1469
86	G	E	-0.2121
87	S	E	0.9430
88	I	E	2.3581
89	A	E	0.8144
90	A	E	0.4540
91	A	E	-0.5732
92	T	E	0.0411
93	G	E	0.2146
94	F	E	1.3549
95	V	E	1.1175
96	K	E	-1.0787
97	K	E	-3.0576
98	D	E	-2.8612
99	Q	E	-1.6504
100	L	E	0.9969
1	M	F	0.3003
2	D	F	-0.3093
3	V	F	1.3038
4	F	F	1.6044
5	M	F	0.5283
6	K	F	-1.3072
7	G	F	-1.3606
8	L	F	-1.0343
9	S	F	-1.5123
10	K	F	-2.8005
11	A	F	-2.7857
12	K	F	-3.6072
13	E	F	-3.4677
14	G	F	-1.4921
15	V	F	0.8578
16	V	F	1.6471
17	A	F	0.6776
18	A	F	-0.0766
19	A	F	-0.5664
20	E	F	-1.6533
21	K	F	-2.5989
22	T	F	-1.9034
23	K	F	-1.7133
24	Q	F	-1.2914
25	G	F	-1.1536
26	V	F	-0.8116
27	A	F	-0.7539
28	E	F	-1.0589
29	A	F	-0.5612
30	A	F	-0.7985
31	G	F	-1.1484
32	K	F	-1.5733
33	T	F	-1.2129
34	K	F	-0.9339
35	E	F	-1.2516
36	G	F	-0.6889
37	V	F	0.6359
38	L	F	1.9004
39	Y	F	2.0871
40	V	F	1.7169
41	G	F	0.0676
42	S	F	-0.6601
43	K	F	-1.6444
44	T	F	-1.3582
45	K	F	-1.5424
46	E	F	-1.8235
47	G	F	-0.5882
48	V	F	1.2254
49	V	F	1.3091
50	H	F	-0.1930
51	G	F	-0.1442
52	V	F	0.7535
53	A	F	0.9199
54	T	F	1.3209
55	V	F	1.2035
56	A	F	-0.9935
57	E	F	-2.5329
58	K	F	-3.5634
59	T	F	-3.7694
60	K	F	-4.0004
61	E	F	-3.1624
62	Q	F	-0.9471
63	V	F	0.6089
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