Project name: Zanolimumab

Chain sequence(s)	H: QVQLQQWGAGLLKPSETLSLTCAVYGGSFSGYYWSWIRQPPGKGLEWIGEINHSGSTNYNPSLKSRVTISVDTSKNQFSLKLSSVTAADTAVYYCARVINWFDPWGQGTLVTVSS; L: DIQMTQSPSSVSASVGDRVTITCRASQDISSWLAWYQHKPGKAPKLLIYAASSLQSGVPSRFSGSGSGTDFTLTISSLQPEDFATYYCQQANSFPYTFGQGTKLEIK
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                                          (00:00:57)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:58)

• Minimal score value: -2.9228
• Maximal score value: 1.4067
• Average score: -0.5379
• Total score value: -119.4092

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	-1.4248
2	V	H	-1.0474
3	Q	H	-1.4133
4	L	H	0.0000
5	Q	H	-1.1020
6	Q	H	0.0000
7	W	H	0.3593
8	G	H	0.2966
9	A	H	0.5603
11	G	H	0.9823
12	L	H	1.3418
13	L	H	-0.1732
14	K	H	-1.4266
15	P	H	-1.2792
16	S	H	-1.2480
17	E	H	-1.8076
18	T	H	-1.3113
19	L	H	0.0000
20	S	H	-0.7716
21	L	H	0.0000
22	T	H	-0.2159
23	C	H	0.0000
24	A	H	0.0000
25	V	H	0.0000
26	Y	H	-0.3209
27	G	H	-0.7288
28	G	H	-0.8287
29	S	H	-0.6020
30	F	H	0.0000
35	S	H	-0.5355
36	G	H	-0.3350
37	Y	H	0.4694
38	Y	H	0.7145
39	W	H	0.0000
40	S	H	0.0000
41	W	H	0.0000
42	I	H	0.0000
43	R	H	0.0000
44	Q	H	-0.6345
45	P	H	-0.7461
46	P	H	-0.8445
47	G	H	-1.4622
48	K	H	-2.3280
49	G	H	-1.5341
50	L	H	0.0000
51	E	H	-1.0094
52	W	H	0.0000
53	I	H	0.0000
54	G	H	0.0000
55	E	H	0.0000
56	I	H	0.0000
57	N	H	-0.2549
58	H	H	-0.8429
59	S	H	-0.6513
63	G	H	-0.6602
64	S	H	-0.4844
65	T	H	-0.3338
66	N	H	-0.4145
67	Y	H	-0.5375
68	N	H	-0.8300
69	P	H	-1.1071
70	S	H	-0.8657
71	L	H	0.0000
72	K	H	-1.9327
74	S	H	-1.2386
75	R	H	-1.3010
76	V	H	0.0000
77	T	H	-0.9987
78	I	H	0.0000
79	S	H	-0.5219
80	V	H	-0.6359
81	D	H	-1.4056
82	T	H	-1.3429
83	S	H	-1.3630
84	K	H	-2.1561
85	N	H	-1.5308
86	Q	H	-1.2453
87	F	H	0.0000
88	S	H	-0.4406
89	L	H	0.0000
90	K	H	-1.5151
91	L	H	0.0000
92	S	H	-1.0672
93	S	H	-0.9825
94	V	H	0.0000
95	T	H	-0.5266
96	A	H	-0.1915
97	A	H	0.0190
98	D	H	0.0000
99	T	H	0.4067
100	A	H	0.0000
101	V	H	0.6655
102	Y	H	0.0000
103	Y	H	0.0000
104	C	H	0.0000
105	A	H	0.0000
106	R	H	0.0697
107	V	H	0.0000
108	I	H	0.5943
109	N	H	-0.0523
114	W	H	0.1764
115	F	H	0.0000
116	D	H	-0.4759
117	P	H	-0.8084
118	W	H	0.0000
119	G	H	0.0000
120	Q	H	-1.8628
121	G	H	-0.6107
122	T	H	0.4662
123	L	H	1.4067
124	V	H	0.0000
125	T	H	0.6085
126	V	H	0.0000
127	S	H	-0.3033
128	S	H	-0.4962
1	D	L	-1.9706
2	I	L	0.0000
3	Q	L	-2.2511
4	M	L	0.0000
5	T	L	-1.4002
6	Q	L	0.0000
7	S	L	-0.7089
8	P	L	-0.5834
9	S	L	-0.9441
10	S	L	-1.1928
11	V	L	-0.8508
12	S	L	-1.1722
13	A	L	-1.1261
14	S	L	-0.9522
15	V	L	-0.1039
16	G	L	-0.7914
17	D	L	-1.9118
18	R	L	-2.3417
19	V	L	0.0000
20	T	L	-0.6475
21	I	L	0.0000
22	T	L	-0.8254
23	C	L	0.0000
24	R	L	-2.9228
25	A	L	0.0000
26	S	L	-2.2361
27	Q	L	-2.7008
28	D	L	-2.7885
29	I	L	0.0000
36	S	L	-1.0886
37	S	L	-0.5644
38	W	L	-0.1483
39	L	L	0.0000
40	A	L	0.0000
41	W	L	0.0000
42	Y	L	0.0000
43	Q	L	-0.7052
44	H	L	-1.0793
45	K	L	-1.4706
46	P	L	-1.0713
47	G	L	-1.6596
48	K	L	-2.5578
49	A	L	-1.6655
50	P	L	0.0000
51	K	L	-1.1931
52	L	L	0.0000
53	L	L	0.0000
54	I	L	0.0000
55	Y	L	0.3277
56	A	L	0.0612
57	A	L	0.0000
65	S	L	-0.1961
66	S	L	0.0908
67	L	L	0.2870
68	Q	L	-0.2467
69	S	L	-0.4306
70	G	L	-0.5894
71	V	L	0.0000
72	P	L	-0.4347
74	S	L	-0.4761
75	R	L	-0.8510
76	F	L	0.0000
77	S	L	-0.3379
78	G	L	-0.2365
79	S	L	-0.6488
80	G	L	-1.0362
83	S	L	-1.2240
84	G	L	-1.7173
85	T	L	-2.2228
86	D	L	-2.3300
87	F	L	0.0000
88	T	L	-0.7368
89	L	L	0.0000
90	T	L	0.0000
91	I	L	0.0000
92	S	L	-1.4390
93	S	L	-1.2469
94	L	L	0.0000
95	Q	L	-0.7302
96	P	L	-1.0010
97	E	L	-1.4949
98	D	L	0.0000
99	F	L	-0.0662
100	A	L	0.0000
101	T	L	-1.0172
102	Y	L	0.0000
103	Y	L	0.0000
104	C	L	0.0000
105	Q	L	0.0000
106	Q	L	0.0000
107	A	L	0.0000
108	N	L	-0.4260
109	S	L	0.1377
114	F	L	0.9389
115	P	L	0.0000
116	Y	L	0.0000
117	T	L	-0.6368
118	F	L	0.0000
119	G	L	0.0000
120	Q	L	-1.5801
121	G	L	0.0000
122	T	L	0.0000
123	K	L	-2.0165
124	L	L	0.0000
125	E	L	-1.6645
126	I	L	-0.9320
127	K	L	-1.6790