Project name: 1010102920

Chain sequence(s)	O: MNIRPLHDRVIVKRKEVETKSAGGIVLTGSAAAKSTRGEVLAVGNGRILENGEVKPLDVKVGDIVIFNDGYGVKSEKIDNEEVLIMSESDILAIVEA; Q: MNIRPLHDRVIVKRKEVETKSAGGIVLTGSAAAKSTRGEVLAVGNGRILENGEVKPLDVKVGDIVIFNDGYGVKSEKIDNEEVLIMSESDILAIVEA; P: MNIRPLHDRVIVKRKEVETKSAGGIVLTGSAAAKSTRGEVLAVGNGRILENGEVKPLDVKVGDIVIFNDGYGVKSEKIDNEEVLIMSESDILAIVEA; S: MNIRPLHDRVIVKRKEVETKSAGGIVLTGSAAAKSTRGEVLAVGNGRILENGEVKPLDVKVGDIVIFNDGYGVKSEKIDNEEVLIMSESDILAIVEA; R: MNIRPLHDRVIVKRKEVETKSAGGIVLTGSAAAKSTRGEVLAVGNGRILENGEVKPLDVKVGDIVIFNDGYGVKSEKIDNEEVLIMSESDILAIVEA; U: MNIRPLHDRVIVKRKEVETKSAGGIVLTGSAAAKSTRGEVLAVGNGRILENGEVKPLDVKVGDIVIFNDGYGVKSEKIDNEEVLIMSESDILAIVEA; T: MNIRPLHDRVIVKRKEVETKSAGGIVLTGSAAAKSTRGEVLAVGNGRILENGEVKPLDVKVGDIVIFNDGYGVKSEKIDNEEVLIMSESDILAIVEA
Selected Chain(s)	O,Q,P,S,R,U,T
Distance of aggregation	10 Å
FoldX usage	Yes
Dynamic mode	No
Automated mutations	No

Simulation log

[INFO]       Logger:   Verbosity set to: 2 - [INFO]                                                (00:00:02)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:02)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with all chain(s) selected           (00:00:02)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:02)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:03)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:13:10)
[INFO]       Main:     Simulation completed successfully.                                          (00:13:16)

• Minimal score value: -4.5379
• Maximal score value: 2.5344
• Average score: -0.7359
• Total score value: -499.6972

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	O	-0.3162
2	N	O	-1.5255
3	I	O	-0.8441
4	R	O	-1.2252
5	P	O	0.0000
6	L	O	0.0000
7	H	O	-0.9365
8	D	O	-0.8141
9	R	O	-0.7211
10	V	O	0.0000
11	I	O	0.0000
12	V	O	0.0000
13	K	O	-1.9765
14	R	O	-2.3750
15	K	O	-2.6323
16	E	O	-2.7698
17	V	O	-1.8187
18	E	O	-1.6752
19	T	O	-1.6944
20	K	O	-1.0969
21	S	O	-0.0891
22	A	O	-0.5387
23	G	O	0.0686
24	G	O	0.4921
25	I	O	2.3956
26	V	O	2.2430
27	L	O	1.4878
28	T	O	0.1141
29	G	O	-0.4894
30	S	O	-0.8025
31	A	O	-0.3750
32	A	O	-0.3630
33	A	O	-0.8233
34	K	O	-2.2455
35	S	O	0.0000
36	T	O	-1.5833
37	R	O	-1.5559
38	G	O	0.0000
39	E	O	-0.8248
40	V	O	0.0000
41	L	O	0.4865
42	A	O	0.0000
43	V	O	-0.1667
44	G	O	0.0000
45	N	O	-1.2759
46	G	O	0.0000
47	R	O	-0.5315
48	I	O	-0.2748
49	L	O	-0.1113
50	E	O	-1.5952
51	N	O	-1.6970
52	G	O	-2.0079
53	E	O	-1.7619
54	V	O	-0.3445
55	K	O	-0.7781
56	P	O	-0.9858
57	L	O	-1.4107
58	D	O	-2.0473
59	V	O	0.0000
60	K	O	-1.1139
61	V	O	0.7760
62	G	O	0.1272
63	D	O	-0.3468
64	I	O	-0.2017
65	V	O	0.0000
66	I	O	0.0000
67	F	O	0.0000
68	N	O	-1.2858
69	D	O	-1.6567
70	G	O	-0.4262
71	Y	O	0.7515
72	G	O	-0.0169
73	V	O	-0.2510
74	K	O	-0.5401
75	S	O	-1.5253
76	E	O	-2.4291
77	K	O	-3.9006
78	I	O	-3.1042
79	D	O	-3.5474
80	N	O	-4.1351
81	E	O	-4.5379
82	E	O	-4.0887
83	V	O	0.0000
84	L	O	0.0000
85	I	O	0.0000
86	M	O	0.0000
87	S	O	-0.3971
88	E	O	0.0000
89	S	O	-0.5411
90	D	O	-0.7135
91	I	O	0.0000
92	L	O	0.0000
93	A	O	0.0000
94	I	O	-0.6109
95	V	O	-0.7794
96	E	O	-1.7409
97	A	O	-0.7874
1	M	P	-0.3175
2	N	P	-1.5407
3	I	P	-0.7514
4	R	P	-1.3738
5	P	P	0.0000
6	L	P	0.0000
7	H	P	-0.9137
8	D	P	-0.5899
9	R	P	-0.7031
10	V	P	0.0000
11	I	P	0.0000
12	V	P	0.0000
13	K	P	-1.9220
14	R	P	-2.4310
15	K	P	-2.5676
16	E	P	-2.6366
17	V	P	-1.5749
18	E	P	-1.4676
19	T	P	-1.5708
20	K	P	-1.0294
21	S	P	-0.0599
22	A	P	-0.6022
23	G	P	0.0745
24	G	P	0.5138
25	I	P	2.3947
26	V	P	2.2350
27	L	P	1.5602
28	T	P	0.1707
29	G	P	-0.4233
30	S	P	-0.7149
31	A	P	-0.3451
32	A	P	-0.3472
33	A	P	-0.7653
34	K	P	-2.1267
35	S	P	0.0000
36	T	P	-1.4659
37	R	P	-1.4396
38	G	P	0.0000
39	E	P	-0.7484
40	V	P	0.0000
41	L	P	0.4349
42	A	P	0.0000
43	V	P	-0.2517
44	G	P	0.0000
45	N	P	-1.0049
46	G	P	0.0000
47	R	P	-0.0534
48	I	P	0.4617
49	L	P	0.9323
50	E	P	-0.6928
51	N	P	-0.9427
52	G	P	-1.4890
53	E	P	-1.3613
54	V	P	0.2232
55	K	P	-0.3953
56	P	P	-0.8283
57	L	P	-1.1643
58	D	P	-1.9787
59	V	P	0.0000
60	K	P	-1.0970
61	V	P	0.8367
62	G	P	0.2795
63	D	P	0.0000
64	I	P	-0.1102
65	V	P	0.0000
66	I	P	0.0000
67	F	P	0.0000
68	N	P	-1.1402
69	D	P	-1.3643
70	G	P	-0.3251
71	Y	P	0.6984
72	G	P	-0.2089
73	V	P	-0.3042
74	K	P	-0.6017
75	S	P	-1.4263
76	E	P	-2.2667
77	K	P	-3.6340
78	I	P	-2.8388
79	D	P	-3.3985
80	N	P	-3.9624
81	E	P	-4.2139
82	E	P	-3.7059
83	V	P	0.0000
84	L	P	0.0000
85	I	P	0.0000
86	M	P	0.0000
87	S	P	-0.4645
88	E	P	0.0000
89	S	P	-0.5168
90	D	P	-0.6284
91	I	P	0.0000
92	L	P	-0.3215
93	A	P	0.0000
94	I	P	-0.6168
95	V	P	0.0000
96	E	P	-1.8291
97	A	P	-0.8284
1	M	Q	-0.3156
2	N	Q	-1.5902
3	I	Q	-0.8930
4	R	Q	-1.4841
5	P	Q	0.0000
6	L	Q	0.0000
7	H	Q	0.0000
8	D	Q	-0.4067
9	R	Q	-0.6639
10	V	Q	0.0000
11	I	Q	0.0000
12	V	Q	0.0000
13	K	Q	-1.7081
14	R	Q	-2.3160
15	K	Q	-2.5594
16	E	Q	-2.7072
17	V	Q	-1.6587
18	E	Q	-1.4996
19	T	Q	-1.6100
20	K	Q	-1.0679
21	S	Q	-0.1010
22	A	Q	-0.5322
23	G	Q	0.0577
24	G	Q	0.5229
25	I	Q	2.4100
26	V	Q	2.2928
27	L	Q	1.5211
28	T	Q	0.1048
29	G	Q	-0.4460
30	S	Q	-0.7323
31	A	Q	-0.3457
32	A	Q	-0.3513
33	A	Q	-0.7785
34	K	Q	-2.2304
35	S	Q	0.0000
36	T	Q	-1.6388
37	R	Q	-1.5543
38	G	Q	0.0000
39	E	Q	-0.3671
40	V	Q	0.0000
41	L	Q	0.6441
42	A	Q	0.0943
43	V	Q	-0.2498
44	G	Q	0.0000
45	N	Q	-0.9726
46	G	Q	0.0000
47	R	Q	-0.4692
48	I	Q	0.0494
49	L	Q	0.4574
50	E	Q	-1.0560
51	N	Q	-1.0120
52	G	Q	-1.7576
53	E	Q	-1.7427
54	V	Q	-0.3481
55	K	Q	-0.8127
56	P	Q	-0.9558
57	L	Q	-1.3715
58	D	Q	-2.1637
59	V	Q	0.0000
60	K	Q	-1.1028
61	V	Q	1.0466
62	G	Q	0.3459
63	D	Q	0.0843
64	I	Q	0.5031
65	V	Q	0.0000
66	I	Q	0.0000
67	F	Q	0.0000
68	N	Q	-1.3446
69	D	Q	-2.0014
70	G	Q	-0.7316
71	Y	Q	0.5356
72	G	Q	-0.3074
73	V	Q	-0.4671
74	K	Q	-0.6520
75	S	Q	-1.5409
76	E	Q	-2.3977
77	K	Q	-3.9309
78	I	Q	-3.1442
79	D	Q	-3.5295
80	N	Q	-4.1464
81	E	Q	-4.5267
82	E	Q	-4.0579
83	V	Q	0.0000
84	L	Q	0.0000
85	I	Q	0.0000
86	M	Q	0.0000
87	S	Q	-0.3781
88	E	Q	0.0000
89	S	Q	-0.4543
90	D	Q	-0.7277
91	I	Q	0.0000
92	L	Q	0.0000
93	A	Q	0.0000
94	I	Q	-0.5168
95	V	Q	-0.4528
96	E	Q	-1.1339
97	A	Q	-0.5407
1	M	R	-0.0696
2	N	R	-1.4702
3	I	R	-0.8800
4	R	R	-1.9068
5	P	R	0.0000
6	L	R	0.0000
7	H	R	-1.1850
8	D	R	-0.8890
9	R	R	-0.7900
10	V	R	0.0000
11	I	R	0.0000
12	V	R	0.0000
13	K	R	-1.7158
14	R	R	-2.2397
15	K	R	-2.4643
16	E	R	-2.6765
17	V	R	-1.6660
18	E	R	-1.4112
19	T	R	-1.5800
20	K	R	-1.0760
21	S	R	-0.1067
22	A	R	-0.5756
23	G	R	0.0276
24	G	R	0.4327
25	I	R	2.3081
26	V	R	2.0996
27	L	R	1.4482
28	T	R	0.1219
29	G	R	-0.4317
30	S	R	-0.7232
31	A	R	-0.3423
32	A	R	-0.3457
33	A	R	-0.7718
34	K	R	-2.1580
35	S	R	0.0000
36	T	R	-1.5070
37	R	R	-1.7246
38	G	R	0.0000
39	E	R	-1.0618
40	V	R	0.0000
41	L	R	0.2425
42	A	R	-0.1950
43	V	R	-0.4486
44	G	R	0.0000
45	N	R	-1.4431
46	G	R	0.0000
47	R	R	-0.3712
48	I	R	0.1423
49	L	R	0.5700
50	E	R	-1.4199
51	N	R	-1.5769
52	G	R	-2.0643
53	E	R	-1.9341
54	V	R	-0.6261
55	K	R	-1.0320
56	P	R	-1.1836
57	L	R	-1.5254
58	D	R	-2.2022
59	V	R	0.0000
60	K	R	-1.4555
61	V	R	0.2919
62	G	R	-0.2412
63	D	R	-0.7128
64	I	R	-0.3898
65	V	R	0.0000
66	I	R	0.0000
67	F	R	0.0000
68	N	R	-1.0561
69	D	R	-1.3754
70	G	R	-0.3088
71	Y	R	0.7097
72	G	R	-0.1749
73	V	R	-0.3508
74	K	R	-0.6845
75	S	R	-1.3286
76	E	R	-2.1242
77	K	R	-3.4401
78	I	R	-2.6594
79	D	R	-3.2689
80	N	R	-3.6820
81	E	R	-3.5528
82	E	R	-3.0474
83	V	R	0.0000
84	L	R	0.0000
85	I	R	0.0000
86	M	R	0.0000
87	S	R	-0.4297
88	E	R	0.0000
89	S	R	-0.5338
90	D	R	-0.6122
91	I	R	0.0000
92	L	R	0.0000
93	A	R	0.0000
94	I	R	0.0000
95	V	R	0.0000
96	E	R	-1.8824
97	A	R	-0.8461
1	M	S	-0.3301
2	N	S	-1.6189
3	I	S	-0.8689
4	R	S	-1.3402
5	P	S	0.0000
6	L	S	0.0000
7	H	S	-0.8661
8	D	S	0.0000
9	R	S	-0.6609
10	V	S	0.0000
11	I	S	0.0000
12	V	S	0.0000
13	K	S	-1.7609
14	R	S	-2.1626
15	K	S	-2.3021
16	E	S	-2.5634
17	V	S	-1.6024
18	E	S	-1.5297
19	T	S	-1.6269
20	K	S	-1.1713
21	S	S	-0.2007
22	A	S	-0.6774
23	G	S	0.0058
24	G	S	0.4382
25	I	S	2.2650
26	V	S	1.9757
27	L	S	1.3722
28	T	S	0.0060
29	G	S	-0.5117
30	S	S	-0.7655
31	A	S	-0.3507
32	A	S	-0.3529
33	A	S	-0.7923
34	K	S	-2.1253
35	S	S	0.0000
36	T	S	-1.4932
37	R	S	-1.4313
38	G	S	0.0000
39	E	S	-0.7336
40	V	S	0.0000
41	L	S	0.7201
42	A	S	0.0000
43	V	S	0.1253
44	G	S	0.0000
45	N	S	-0.8416
46	G	S	0.0000
47	R	S	-0.6132
48	I	S	-0.1696
49	L	S	0.1218
50	E	S	-1.0780
51	N	S	-1.1860
52	G	S	-1.7522
53	E	S	-1.7122
54	V	S	-0.4284
55	K	S	-0.7009
56	P	S	-0.7501
57	L	S	-0.9707
58	D	S	-1.1589
59	V	S	0.0000
60	K	S	-0.9414
61	V	S	0.9391
62	G	S	0.2002
63	D	S	-0.5054
64	I	S	-0.2627
65	V	S	0.0000
66	I	S	0.0000
67	F	S	0.0000
68	N	S	-1.4841
69	D	S	-1.8446
70	G	S	-0.6402
71	Y	S	0.5332
72	G	S	-0.3119
73	V	S	0.0000
74	K	S	-0.9598
75	S	S	-1.6297
76	E	S	-2.4373
77	K	S	-3.8042
78	I	S	-2.9423
79	D	S	-3.4184
80	N	S	-4.0227
81	E	S	-4.3103
82	E	S	-3.7924
83	V	S	0.0000
84	L	S	0.0000
85	I	S	0.0000
86	M	S	0.0000
87	S	S	-0.4543
88	E	S	-0.5861
89	S	S	-0.5551
90	D	S	-0.8682
91	I	S	0.0000
92	L	S	0.0000
93	A	S	0.0000
94	I	S	0.0000
95	V	S	-0.7623
96	E	S	-1.7628
97	A	S	-0.7530
1	M	T	-0.2836
2	N	T	-1.4734
3	I	T	-0.6909
4	R	T	-1.0729
5	P	T	0.0000
6	L	T	0.0000
7	H	T	0.0000
8	D	T	0.0000
9	R	T	-0.5550
10	V	T	0.0000
11	I	T	0.0000
12	V	T	0.0000
13	K	T	-1.7570
14	R	T	-2.1307
15	K	T	-2.3671
16	E	T	-2.5278
17	V	T	-1.3739
18	E	T	-1.3816
19	T	T	-1.5285
20	K	T	-0.9814
21	S	T	-0.0024
22	A	T	-0.5106
23	G	T	0.1906
24	G	T	0.6145
25	I	T	2.5344
26	V	T	2.5240
27	L	T	1.6376
28	T	T	0.2135
29	G	T	-0.4589
30	S	T	-0.6807
31	A	T	-0.4204
32	A	T	-0.3255
33	A	T	-0.7337
34	K	T	-2.0759
35	S	T	0.0000
36	T	T	-1.4636
37	R	T	-1.3404
38	G	T	0.0000
39	E	T	-0.2734
40	V	T	0.0000
41	L	T	0.7158
42	A	T	0.2866
43	V	T	-0.0321
44	G	T	0.0000
45	N	T	-1.1926
46	G	T	0.0000
47	R	T	-0.4518
48	I	T	0.1174
49	L	T	0.4625
50	E	T	-1.3927
51	N	T	-1.2375
52	G	T	-1.6516
53	E	T	-1.7315
54	V	T	-0.3904
55	K	T	-0.7931
56	P	T	-1.0428
57	L	T	-1.4351
58	D	T	-2.0142
59	V	T	0.0000
60	K	T	-1.0099
61	V	T	0.9524
62	G	T	0.4144
63	D	T	0.0000
64	I	T	0.4916
65	V	T	0.0000
66	I	T	0.0000
67	F	T	0.0000
68	N	T	-1.3203
69	D	T	-1.6647
70	G	T	-0.5029
71	Y	T	0.7019
72	G	T	-0.1207
73	V	T	-0.3101
74	K	T	-0.5083
75	S	T	-1.4756
76	E	T	-2.3409
77	K	T	-3.8395
78	I	T	-3.0238
79	D	T	-3.4937
80	N	T	-4.1254
81	E	T	-4.4772
82	E	T	-3.9953
83	V	T	0.0000
84	L	T	0.0000
85	I	T	0.0000
86	M	T	0.0000
87	S	T	-0.4012
88	E	T	-0.7765
89	S	T	-0.6223
90	D	T	-0.7998
91	I	T	0.0000
92	L	T	0.0000
93	A	T	0.0000
94	I	T	0.0000
95	V	T	0.0000
96	E	T	-1.9835
97	A	T	-0.9525
1	M	U	-0.3193
2	N	U	-1.8176
3	I	U	-1.3248
4	R	U	-2.4310
5	P	U	0.0000
6	L	U	0.0000
7	H	U	-1.3129
8	D	U	-0.6089
9	R	U	-0.8767
10	V	U	0.0000
11	I	U	0.0000
12	V	U	0.0000
13	K	U	-1.8606
14	R	U	-2.5127
15	K	U	-2.7244
16	E	U	-2.7555
17	V	U	-1.7101
18	E	U	-1.4984
19	T	U	-1.6263
20	K	U	-1.0892
21	S	U	-0.0948
22	A	U	-0.5390
23	G	U	0.1410
24	G	U	0.5454
25	I	U	2.4286
26	V	U	2.3237
27	L	U	1.5599
28	T	U	0.1343
29	G	U	-0.4327
30	S	U	-0.7227
31	A	U	-0.3390
32	A	U	-0.3371
33	A	U	-0.7756
34	K	U	-2.1991
35	S	U	-1.8488
36	T	U	-1.5042
37	R	U	-1.6292
38	G	U	0.0000
39	E	U	-1.0430
40	V	U	0.0000
41	L	U	0.5217
42	A	U	-0.0392
43	V	U	-0.2141
44	G	U	0.0000
45	N	U	-1.5529
46	G	U	0.0000
47	R	U	-0.5459
48	I	U	0.0125
49	L	U	0.3794
50	E	U	-1.5930
51	N	U	-1.5193
52	G	U	-2.1933
53	E	U	-2.0616
54	V	U	-0.9077
55	K	U	-1.3262
56	P	U	-1.1329
57	L	U	-1.1876
58	D	U	-1.3867
59	V	U	0.0000
60	K	U	-0.9344
61	V	U	0.9462
62	G	U	-0.0128
63	D	U	-0.4728
64	I	U	-0.1554
65	V	U	0.0000
66	I	U	0.0000
67	F	U	0.0000
68	N	U	-0.9973
69	D	U	-1.3886
70	G	U	-0.2411
71	Y	U	0.8344
72	G	U	0.0261
73	V	U	-0.1522
74	K	U	-0.4821
75	S	U	-1.4614
76	E	U	-2.3180
77	K	U	-3.7605
78	I	U	-2.9772
79	D	U	-3.4291
80	N	U	-3.9891
81	E	U	-4.1951
82	E	U	-3.9248
83	V	U	0.0000
84	L	U	0.0000
85	I	U	0.0000
86	M	U	0.0000
87	S	U	-0.3851
88	E	U	0.0000
89	S	U	-0.4856
90	D	U	-0.5979
91	I	U	0.0000
92	L	U	0.0000
93	A	U	0.0000
94	I	U	0.0000
95	V	U	0.0000
96	E	U	-1.7528
97	A	U	-0.7804