Project name: Brazikumab

Chain sequence(s)	H: QVQLVESGGGVVQPGRSLRLSCAASGFTFSSYGMHWVRQAPGKGLEWVAVIWYDGSNEYYADSVKGRFTISRDNSKNTLYLQMNSLRAEDTAVYYCARDRGYTSSWYPDAFDIWGQGTMVTVSS; L: QSVLTQPPSVSGAPGQRVTISCTGSSSNTGAGYDVHWYQQVPGTAPKLLIYGSGNRPSGVPDRFSGSKSGTSASLAITGLQAEDEADYYCQSYDSSLSGWVFGGGTRLTVL
Selected Chain(s)	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                                          (00:00:45)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:47)

• Minimal score value: -2.6577
• Maximal score value: 1.6041
• Average score: -0.4907
• Total score value: -115.3152

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	Q	H	-0.9895
2	V	H	0.1025
3	Q	H	-0.3706
4	L	H	0.0000
5	V	H	0.2936
6	E	H	0.0000
7	S	H	-0.4596
8	G	H	-0.6778
9	G	H	-0.0633
11	G	H	0.6169
12	V	H	1.6041
13	V	H	-0.0007
14	Q	H	-1.1490
15	P	H	-1.7771
16	G	H	-2.0143
17	R	H	-2.6014
18	S	H	-1.7665
19	L	H	-0.7301
20	R	H	-1.1145
21	L	H	0.0000
22	S	H	-0.3011
23	C	H	0.0000
24	A	H	-0.3607
25	A	H	0.0000
26	S	H	-0.4510
27	G	H	-0.5074
28	F	H	-0.1067
29	T	H	-0.0919
30	F	H	0.0000
35	S	H	-0.8719
36	S	H	0.1285
37	Y	H	0.2772
38	G	H	-0.0535
39	M	H	0.0000
40	H	H	0.0000
41	W	H	0.0000
42	V	H	0.0000
43	R	H	0.0000
44	Q	H	-0.7329
45	A	H	-1.1111
46	P	H	-0.9139
47	G	H	-1.4893
48	K	H	-2.2692
49	G	H	-1.5290
50	L	H	0.0000
51	E	H	-0.9589
52	W	H	0.0000
53	V	H	0.0000
54	A	H	0.0000
55	V	H	0.0000
56	I	H	0.0000
57	W	H	-0.5350
58	Y	H	-0.3311
59	D	H	-1.6169
62	G	H	-1.3804
63	S	H	-1.1344
64	N	H	-1.1879
65	E	H	-0.9494
66	Y	H	-0.4168
67	Y	H	-0.6880
68	A	H	-1.0955
69	D	H	-2.3769
70	S	H	-1.8590
71	V	H	0.0000
72	K	H	-2.5365
74	G	H	-1.7285
75	R	H	-1.4176
76	F	H	0.0000
77	T	H	-0.7295
78	I	H	0.0000
79	S	H	-0.5676
80	R	H	-1.0454
81	D	H	-1.6535
82	N	H	-1.8589
83	S	H	-1.5999
84	K	H	-2.4414
85	N	H	-1.9320
86	T	H	-1.1429
87	L	H	0.0000
88	Y	H	-0.2632
89	L	H	0.0000
90	Q	H	-0.7247
91	M	H	0.0000
92	N	H	-1.5907
93	S	H	-1.6594
94	L	H	0.0000
95	R	H	-2.2490
96	A	H	-1.5365
97	E	H	-2.1733
98	D	H	0.0000
99	T	H	-0.4438
100	A	H	0.0000
101	V	H	0.3681
102	Y	H	0.0000
103	Y	H	0.0000
104	C	H	0.0000
105	A	H	0.0000
106	R	H	-0.3907
107	D	H	0.0000
108	R	H	-0.5460
109	G	H	0.1509
110	Y	H	1.0679
111	T	H	0.5698
111A	S	H	0.2883
111B	S	H	0.5347
112B	W	H	1.0809
112A	Y	H	0.8596
112	P	H	0.2691
113	D	H	-0.3168
114	A	H	0.0000
115	F	H	0.0000
116	D	H	-0.7737
117	I	H	-0.0623
118	W	H	-0.1771
119	G	H	0.0000
120	Q	H	-1.0847
121	G	H	-0.3030
122	T	H	0.0000
123	M	H	0.6410
124	V	H	0.0000
125	T	H	0.3035
126	V	H	0.0000
127	S	H	-0.3978
128	S	H	-0.2816
1	Q	L	-1.1966
2	S	L	-0.7521
3	V	L	-0.1296
4	L	L	0.0000
5	T	L	-0.2231
6	Q	L	0.0000
7	P	L	-0.4326
8	P	L	-0.6593
9	S	L	-0.5933
11	V	L	-0.0984
12	S	L	-0.1588
13	G	L	0.0000
14	A	L	-0.2040
15	P	L	-0.8709
16	G	L	-1.7148
17	Q	L	-2.3320
18	R	L	-2.6577
19	V	L	0.0000
20	T	L	-0.4929
21	I	L	0.0000
22	S	L	-0.3047
23	C	L	0.0000
24	T	L	-0.2710
25	G	L	-0.2685
26	S	L	-0.3908
27	S	L	-0.6173
28	S	L	-0.1634
29	N	L	0.0000
30	T	L	0.0000
31	G	L	-0.9180
35	A	L	-0.5645
36	G	L	-0.7024
37	Y	L	-0.4167
38	D	L	-0.8281
39	V	L	0.0000
40	H	L	0.0000
41	W	L	0.0000
42	Y	L	0.0000
43	Q	L	0.0000
44	Q	L	0.0000
45	V	L	0.1401
46	P	L	-0.1559
47	G	L	-0.4581
48	T	L	-0.3729
49	A	L	-0.4242
50	P	L	0.0000
51	K	L	-0.7756
52	L	L	0.0000
53	L	L	0.0000
54	I	L	0.0000
55	Y	L	-0.7113
56	G	L	-0.7531
57	S	L	-0.9172
65	G	L	-1.1785
66	N	L	-1.3921
67	R	L	-1.7411
68	P	L	-0.9226
69	S	L	-0.7253
70	G	L	-0.8651
71	V	L	-1.0652
72	P	L	-1.3025
74	D	L	-2.1541
75	R	L	-1.4480
76	F	L	0.0000
77	S	L	-0.9975
78	G	L	-0.7493
79	S	L	-0.8271
80	K	L	-1.1130
83	S	L	-0.8258
84	G	L	-0.9343
85	T	L	-0.7441
86	S	L	-0.6487
87	A	L	0.0000
88	S	L	-0.4244
89	L	L	0.0000
90	A	L	-0.5428
91	I	L	0.0000
92	T	L	-1.7954
93	G	L	-1.7099
94	L	L	0.0000
95	Q	L	-1.3478
96	A	L	-1.0308
97	E	L	-1.9264
98	D	L	0.0000
99	E	L	-1.1732
100	A	L	0.0000
101	D	L	-0.6051
102	Y	L	0.0000
103	Y	L	0.0000
104	C	L	0.0000
105	Q	L	0.0000
106	S	L	0.0000
107	Y	L	0.1717
108	D	L	0.0000
109	S	L	0.2254
110	S	L	0.3999
113	L	L	0.9809
114	S	L	0.4087
115	G	L	0.0000
116	W	L	0.0000
117	V	L	0.0000
118	F	L	0.0000
119	G	L	0.0000
120	G	L	-0.9822
121	G	L	-0.9779
122	T	L	0.0000
123	R	L	-0.9630
124	L	L	0.0000
125	T	L	-0.1895
126	V	L	0.2543
127	L	L	1.4419