Project name: 5NHR

Chain sequence(s)	A: QVQLVQSGAEVKKPGASVKVSCKASGYTFTSSYINWVRQAPGQGLEWMGTINPVSGSTSYAQKFQGRVTMTRDTSISTAYMELSRLRSDDTAVYYCARGGWFDYWGQGTLVTVSS; C: RECIYYNANWELERTNQSGLERCEGEQDKRLHCYASWRNSSGTIELVKKGCWLDDFNCYDRQECVATEENPQVYFCCCEGNFCNERFTHL; B: SALTQPASVSGSPGQSITISCTGTSSDVGSYNYVNWYQQHPGKAPKLMIYGVSKRPSGVSNRFSGSKSGNTASLTISGLQAEDEADYYCGTFAGGSYYGVFGGGTKLTVLWSHP; D: RECIYYNANWELERTNQSGLERCEGEQDKRLHCYASWRNSSGTIELVKKGCWLDDFNCYDRQECVATEENPQVYFCCCEGNFCNERFTHLP; H: QVQLVQSGAEVKKPGASVKVSCKASGYTFTSSYINWVRQAPGQGLEWMGTINPVSGSTSYAQKFQGRVTMTRDTSISTAYMELSRLRSDDTAVYYCARGGWFDYWGQGTLVTVSS; L: SALTQPASVSGSPGQSITISCTGTSSDVGSYNYVNWYQQHPGKAPKLMIYGVSKRPSGVSNRFSGSKSGNTASLTISGLQAEDEADYYCGTFAGGSYYGVFGGGTKLTVLW
Selected Chain(s)	A,C,B,D,H,L
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                                          (00:06:31)
[INFO]       Main:     Simulation completed successfully.                                          (00:06:36)

• Minimal score value: -3.8514
• Maximal score value: 1.845
• Average score: -0.6812
• Total score value: -433.2675

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	L	-0.1917
3	A	L	-0.0851
4	L	L	0.0000
5	T	L	-0.2728
6	Q	L	0.0000
7	P	L	-0.4591
8	A	L	-0.5917
9	S	L	-0.8305
10	V	L	-0.2891
11	S	L	-0.1968
12	G	L	0.0000
13	S	L	-0.0520
14	P	L	-0.3590
15	G	L	-1.3433
16	Q	L	-1.6900
17	S	L	-1.1193
18	I	L	0.0000
19	T	L	-0.1339
20	I	L	0.0000
21	S	L	-0.2501
22	C	L	0.0000
23	T	L	-0.4292
24	G	L	-0.4510
25	T	L	-0.5631
26	S	L	-0.6670
27	S	L	-0.4689
28	D	L	0.0000
29	V	L	0.0000
30	G	L	-0.9887
31	S	L	-0.5920
32	Y	L	-0.3448
33	N	L	-1.1811
34	Y	L	0.0000
35	V	L	0.0000
36	N	L	0.0000
37	W	L	0.0000
38	Y	L	0.0000
39	Q	L	0.0000
40	Q	L	0.0000
41	H	L	-1.8255
42	P	L	-1.3565
43	G	L	-1.6531
44	K	L	-2.4686
45	A	L	-1.5524
46	P	L	0.0000
47	K	L	-1.2708
48	L	L	0.0000
49	M	L	0.0000
50	I	L	0.0000
51	Y	L	0.0000
52	G	L	0.0000
53	V	L	0.0000
54	S	L	-1.1932
55	K	L	-1.7641
56	R	L	-1.9525
57	P	L	-1.5640
58	S	L	-1.4931
59	G	L	-0.8863
60	V	L	-0.8150
61	S	L	-1.0105
62	N	L	-1.6855
63	R	L	-1.1088
64	F	L	0.0000
65	S	L	-0.9699
66	G	L	-0.7208
67	S	L	-0.8646
68	K	L	-1.1124
69	S	L	-0.8487
70	G	L	-1.0257
71	N	L	-0.9776
72	T	L	-0.7140
73	A	L	0.0000
74	S	L	-0.3762
75	L	L	0.0000
76	T	L	-0.3193
77	I	L	0.0000
78	S	L	-1.1239
79	G	L	-1.1379
80	L	L	0.0000
81	Q	L	-1.3424
82	A	L	-0.9324
83	E	L	-2.3531
84	D	L	0.0000
85	E	L	-1.9969
86	A	L	0.0000
87	D	L	-1.3856
88	Y	L	0.0000
89	Y	L	0.0000
90	C	L	0.0000
91	G	L	0.0000
92	T	L	0.0000
93	F	L	0.0000
94	A	L	0.0000
95	G	L	0.0000
96	G	L	-0.2780
97	S	L	-0.1345
98	Y	L	0.6215
99	Y	L	1.3709
100	G	L	0.7375
101	V	L	0.4629
102	F	L	0.0000
103	G	L	0.0000
104	G	L	-0.9659
105	G	L	-1.0143
106	T	L	0.0000
107	K	L	-2.1157
108	L	L	0.0000
109	T	L	-0.5349
110	V	L	0.0000
111	L	L	1.8342
112	W	L	1.8450
1	Q	H	-1.5138
2	V	H	-0.9586
3	Q	H	-1.2602
4	L	H	0.0000
5	V	H	0.0760
6	Q	H	-0.3551
7	S	H	-0.5405
8	G	H	-0.4706
9	A	H	0.2661
10	E	H	0.1800
11	V	H	1.0044
12	K	H	-0.9700
13	K	H	-2.3881
14	P	H	-2.3615
15	G	H	-2.3599
16	A	H	-1.8091
17	S	H	-1.8508
18	V	H	0.0000
19	K	H	-1.8001
20	V	H	0.0000
21	S	H	-0.6294
22	C	H	0.0000
23	K	H	-0.8442
24	A	H	0.0000
25	S	H	-0.7949
26	G	H	-1.0912
27	Y	H	-0.7366
28	T	H	-0.2642
29	F	H	0.0000
30	T	H	-0.0552
31	S	H	0.0000
32	S	H	0.0000
33	Y	H	0.0000
34	I	H	0.0000
35	N	H	0.0000
36	W	H	0.0000
37	V	H	0.0000
38	R	H	-0.3217
39	Q	H	-0.5806
40	A	H	-0.9741
41	P	H	-1.0047
42	G	H	-1.3073
43	Q	H	-1.7494
44	G	H	-1.1982
45	L	H	0.0000
46	E	H	-0.7772
47	W	H	0.0000
48	M	H	0.0000
49	G	H	0.0000
50	T	H	0.0000
51	I	H	0.0000
52	N	H	0.0000
53	P	H	0.0000
54	V	H	0.0000
55	S	H	0.0000
56	G	H	-0.5408
57	S	H	-0.4406
58	T	H	-0.1572
59	S	H	-0.0886
60	Y	H	-0.6413
61	A	H	0.0000
62	Q	H	-2.5184
63	K	H	-2.7392
64	F	H	0.0000
65	Q	H	-2.4453
66	G	H	-1.6109
67	R	H	-1.5888
68	V	H	0.0000
69	T	H	-0.7654
70	M	H	0.0000
71	T	H	-0.5962
72	R	H	-0.9780
73	D	H	-1.1349
74	T	H	-0.3391
75	S	H	-0.2484
76	I	H	0.4480
77	S	H	-0.2432
78	T	H	0.0000
79	A	H	0.0000
80	Y	H	-0.8025
81	M	H	0.0000
82	E	H	-1.3807
83	L	H	0.0000
84	S	H	-1.8639
85	R	H	-2.7806
86	L	H	0.0000
87	R	H	-3.4863
88	S	H	-2.4323
89	D	H	-2.4947
90	D	H	0.0000
91	T	H	-0.8232
92	A	H	0.0000
93	V	H	0.3129
94	Y	H	0.0000
95	Y	H	0.0000
96	C	H	0.0000
97	A	H	0.0000
98	R	H	0.0000
99	G	H	0.0000
100	G	H	0.0000
101	W	H	0.0000
102	F	H	0.0000
103	D	H	-0.2111
104	Y	H	-0.1917
105	W	H	0.0000
106	G	H	0.0000
107	Q	H	-1.3295
108	G	H	-0.6070
109	T	H	0.0000
110	L	H	0.8427
111	V	H	0.0000
112	T	H	-0.1262
113	V	H	0.0000
114	S	H	-1.3106
115	S	H	-1.0970
2	S	B	-0.1926
3	A	B	-0.0871
4	L	B	0.0000
5	T	B	-0.2721
6	Q	B	0.0000
7	P	B	-0.4544
8	A	B	-0.5833
9	S	B	-0.8217
10	V	B	-0.2599
11	S	B	-0.3905
12	G	B	0.0000
13	S	B	-0.4408
14	P	B	-0.7952
15	G	B	-1.3819
16	Q	B	-1.6884
17	S	B	-1.1490
18	I	B	0.0000
19	T	B	-0.1324
20	I	B	0.0000
21	S	B	-0.2480
22	C	B	0.0000
23	T	B	-0.4275
24	G	B	-0.4501
25	T	B	-0.5637
26	S	B	-0.6610
27	S	B	-0.4633
28	D	B	0.0000
29	V	B	0.0000
30	G	B	-0.9716
31	S	B	-0.5728
32	Y	B	-0.3235
33	N	B	-1.1871
34	Y	B	0.0000
35	V	B	0.0000
36	N	B	0.0000
37	W	B	0.0000
38	Y	B	0.0000
39	Q	B	0.0000
40	Q	B	0.0000
41	H	B	-2.0360
42	P	B	-1.4348
43	G	B	-1.6747
44	K	B	-2.5519
45	A	B	-1.6591
46	P	B	0.0000
47	K	B	-1.8656
48	L	B	0.0000
49	M	B	0.0000
50	I	B	0.0000
51	Y	B	0.0000
52	G	B	-0.8026
53	V	B	0.0000
54	S	B	-1.1407
55	K	B	-1.4099
56	R	B	-1.5594
57	P	B	-1.5098
58	S	B	-1.4560
59	G	B	-0.7860
60	V	B	-0.9421
61	S	B	-1.0840
62	N	B	-1.7734
63	R	B	-1.2563
64	F	B	0.0000
65	S	B	-0.9873
66	G	B	-0.7006
67	S	B	-0.8514
68	K	B	-1.1149
69	S	B	-0.8493
70	G	B	-1.0239
71	N	B	-0.9735
72	T	B	-0.7141
73	A	B	0.0000
74	S	B	-0.3790
75	L	B	0.0000
76	T	B	-0.3437
77	I	B	0.0000
78	S	B	-1.2078
79	G	B	-1.2135
80	L	B	0.0000
81	Q	B	-1.9425
82	A	B	-1.4311
83	E	B	-2.5618
84	D	B	0.0000
85	E	B	-2.5376
86	A	B	0.0000
87	D	B	-1.5364
88	Y	B	0.0000
89	Y	B	0.0000
90	C	B	0.0000
91	G	B	0.0000
92	T	B	0.0000
93	F	B	0.0000
94	A	B	0.0000
95	G	B	0.0000
96	G	B	-0.2805
97	S	B	-0.1558
98	Y	B	0.6327
99	Y	B	1.3746
100	G	B	0.7497
101	V	B	0.4571
102	F	B	0.0000
103	G	B	0.0000
104	G	B	-0.9583
105	G	B	-0.9943
106	T	B	0.0000
107	K	B	-2.1434
108	L	B	0.0000
109	T	B	-0.8661
110	V	B	-0.6600
111	L	B	0.6343
112	W	B	1.1347
113	S	B	-0.1502
114	H	B	-0.8422
115	P	B	-0.7627
1	Q	A	-1.4651
2	V	A	-0.8826
3	Q	A	-1.1561
4	L	A	0.0000
5	V	A	0.1353
6	Q	A	-0.2149
7	S	A	-0.5182
8	G	A	-0.4765
9	A	A	0.2633
10	E	A	0.1527
11	V	A	0.9887
12	K	A	-1.0012
13	K	A	-2.3956
14	P	A	-2.5499
15	G	A	-2.3643
16	A	A	-1.8177
17	S	A	-1.8590
18	V	A	0.0000
19	K	A	-1.8343
20	V	A	0.0000
21	S	A	-0.5870
22	C	A	0.0000
23	K	A	-0.6141
24	A	A	0.0000
25	S	A	-0.6962
26	G	A	-0.9961
27	Y	A	-0.7052
28	T	A	-0.2878
29	F	A	0.0000
30	T	A	-0.0798
31	S	A	0.0000
32	S	A	0.0000
33	Y	A	0.0000
34	I	A	0.0000
35	N	A	0.0000
36	W	A	0.0000
37	V	A	0.0000
38	R	A	-0.3309
39	Q	A	-0.5888
40	A	A	-0.9782
41	P	A	-1.0077
42	G	A	-1.3092
43	Q	A	-1.7671
44	G	A	-1.1843
45	L	A	0.0000
46	E	A	-0.7961
47	W	A	0.0000
48	M	A	0.0000
49	G	A	0.0000
50	T	A	0.0000
51	I	A	0.0000
52	N	A	0.0000
53	P	A	0.0000
54	V	A	0.0000
55	S	A	0.0000
56	G	A	-0.5362
57	S	A	-0.4418
58	T	A	-0.1445
59	S	A	-0.0440
60	Y	A	-0.5669
61	A	A	0.0000
62	Q	A	-2.5056
63	K	A	-2.7333
64	F	A	0.0000
65	Q	A	-2.4287
66	G	A	-1.5983
67	R	A	-1.5810
68	V	A	0.0000
69	T	A	-0.7524
70	M	A	0.0000
71	T	A	-0.5821
72	R	A	-0.9378
73	D	A	-1.0756
74	T	A	-0.2726
75	S	A	-0.2140
76	I	A	0.3234
77	S	A	-0.1771
78	T	A	0.0000
79	A	A	0.0000
80	Y	A	-0.7696
81	M	A	0.0000
82	E	A	-1.3889
83	L	A	0.0000
84	S	A	-1.8622
85	R	A	-2.7760
86	L	A	0.0000
87	R	A	-3.4817
88	S	A	-2.4223
89	D	A	-2.4894
90	D	A	0.0000
91	T	A	-0.8261
92	A	A	0.0000
93	V	A	0.3025
94	Y	A	0.0000
95	Y	A	0.0000
96	C	A	0.0000
97	A	A	0.0000
98	R	A	0.0000
99	G	A	0.0000
100	G	A	0.0000
101	W	A	0.0000
102	F	A	0.0000
103	D	A	-0.3393
104	Y	A	-0.2571
105	W	A	-0.3748
106	G	A	0.0000
107	Q	A	-1.2946
108	G	A	-0.5870
109	T	A	0.0000
110	L	A	0.8309
111	V	A	0.0000
112	T	A	-0.1280
113	V	A	0.0000
114	S	A	-1.2825
115	S	A	-1.0863
27	R	C	-2.6395
28	E	C	-2.0325
29	C	C	0.0000
30	I	C	0.0573
31	Y	C	0.0201
32	Y	C	-0.1647
33	N	C	0.0000
34	A	C	-0.8806
35	N	C	-1.5694
36	W	C	-1.8185
37	E	C	-2.2728
38	L	C	-0.1303
39	E	C	-1.1896
40	R	C	-2.4144
41	T	C	-2.0159
42	N	C	-2.3602
43	Q	C	-1.9654
44	S	C	-0.5901
45	G	C	0.0623
46	L	C	0.6276
47	E	C	-0.9796
48	R	C	-2.7346
49	C	C	-2.4206
50	E	C	-2.8258
51	G	C	-2.6171
52	E	C	-2.4935
53	Q	C	-2.8256
54	D	C	-3.0982
55	K	C	-2.2964
56	R	C	-1.5496
57	L	C	0.0000
58	H	C	0.0000
59	C	C	0.0000
60	Y	C	0.0000
61	A	C	0.0000
62	S	C	0.0000
63	W	C	0.0000
64	R	C	-1.4502
65	N	C	-1.4076
66	S	C	-1.0063
67	S	C	-0.5420
68	G	C	-0.6366
69	T	C	-0.1174
70	I	C	0.6785
71	E	C	-0.6708
72	L	C	-0.0980
73	V	C	0.0000
74	K	C	0.0000
75	K	C	0.0000
76	G	C	0.0000
77	C	C	0.0000
78	W	C	0.0000
79	L	C	-0.3095
80	D	C	0.0000
81	D	C	0.0000
82	F	C	-0.3016
83	N	C	-0.7757
84	C	C	0.0000
85	Y	C	-1.5704
86	D	C	-3.2107
87	R	C	-3.8514
88	Q	C	-3.5752
89	E	C	-3.5129
90	C	C	0.0000
91	V	C	-0.7003
92	A	C	0.0000
93	T	C	-0.6909
94	E	C	-1.8530
95	E	C	-2.6865
96	N	C	-2.5331
97	P	C	-2.1258
98	Q	C	-2.1364
99	V	C	-1.3496
100	Y	C	0.0000
101	F	C	-0.1451
102	C	C	0.0000
103	C	C	-0.5752
104	C	C	0.0000
105	E	C	-2.2410
106	G	C	-1.8862
107	N	C	-1.7907
108	F	C	-0.1688
109	C	C	-1.5261
110	N	C	0.0000
111	E	C	-1.7053
112	R	C	-2.2929
113	F	C	-1.1101
114	T	C	-0.2928
115	H	C	0.0057
116	L	C	0.7912
27	R	D	-2.3879
28	E	D	-1.9241
29	C	D	0.0000
30	I	D	-0.2464
31	Y	D	-0.1315
32	Y	D	-0.1405
33	N	D	0.0000
34	A	D	-0.5283
35	N	D	-0.9740
36	W	D	-1.5261
37	E	D	-2.1105
38	L	D	-0.0956
39	E	D	-1.0561
40	R	D	-2.3341
41	T	D	-1.9234
42	N	D	-2.3039
43	Q	D	-1.8965
44	S	D	-0.6132
45	G	D	0.0293
46	L	D	0.6601
47	E	D	-1.0017
48	R	D	-2.6636
49	C	D	-2.2871
50	E	D	-2.8060
51	G	D	-2.6713
52	E	D	-2.7521
53	Q	D	-2.8259
54	D	D	-2.9729
55	K	D	-2.2792
56	R	D	-1.4978
57	L	D	-1.2893
58	H	D	0.0000
59	C	D	0.0000
60	Y	D	0.0000
61	A	D	0.0000
62	S	D	0.0000
63	W	D	0.0000
64	R	D	-1.4760
65	N	D	-1.4187
66	S	D	-1.0153
67	S	D	-0.5477
68	G	D	-0.6379
69	T	D	-0.1151
70	I	D	0.6939
71	E	D	-0.6163
72	L	D	0.0505
73	V	D	0.1253
74	K	D	0.0000
75	K	D	0.0000
76	G	D	0.0000
77	C	D	0.0000
78	W	D	0.0000
79	L	D	0.0000
80	D	D	0.0000
81	D	D	0.0000
82	F	D	-0.2152
83	N	D	-0.3871
84	C	D	0.0000
85	Y	D	-1.0317
86	D	D	-2.4922
87	R	D	-2.4476
88	Q	D	-2.9046
89	E	D	-3.2004
90	C	D	0.0000
91	V	D	-0.5800
92	A	D	0.0000
93	T	D	-0.8284
94	E	D	-2.0593
95	E	D	-2.8599
96	N	D	-2.7863
97	P	D	-2.1619
98	Q	D	-2.1627
99	V	D	-1.3606
100	Y	D	0.0000
101	F	D	-0.1985
102	C	D	0.0000
103	C	D	0.0000
104	C	D	0.0000
105	E	D	-1.8182
106	G	D	-1.6226
107	N	D	-1.7790
108	F	D	-0.5703
109	C	D	-1.6756
110	N	D	0.0000
111	E	D	-2.5433
112	R	D	-2.6459
113	F	D	-1.2680
114	T	D	-0.3008
115	H	D	-0.0744
116	L	D	0.8245
117	P	D	-0.6650