Project name: Zimberelimab

Chain sequence(s)	H: QLQLQESGPGLVKPSETLTLTCTVSADSISSTTYYWVWIRQPPGKGLEWIGSISYSGSTYYNPSLKSRVTVSVDTSKNQFSLKLNSVAATDTALYYCARHLGYNGRYLPFDYWGQGTLVTVSS; L: QSALTQPASVSGSPGQSITISCTGTSSDVGFYNYVSWYQQHPGKAPELMIYDVSNRPSGVSDRFSGSKSGNTASLTISGLQAEDEADYYCSSYTSISTWVFGGGTKLTVL
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                                        (00:00:01)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:00:46)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:47)

• Minimal score value: -2.5523
• Maximal score value: 1.8543
• Average score: -0.3955
• Total score value: -92.1502

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	-1.5278
2	L	H	0.0000
3	Q	H	-1.8411
4	L	H	0.0000
5	Q	H	-1.5408
6	E	H	0.0000
7	S	H	-0.5578
8	G	H	-0.4199
9	P	H	-0.0472
11	G	H	0.3396
12	L	H	0.9293
13	V	H	0.0000
14	K	H	-1.2258
15	P	H	-1.2463
16	S	H	-1.3693
17	E	H	-2.0082
18	T	H	-1.5141
19	L	H	0.0000
20	T	H	-0.8453
21	L	H	0.0000
22	T	H	-0.5302
23	C	H	0.0000
24	T	H	-1.1046
25	V	H	0.0000
26	S	H	-1.1331
27	A	H	-0.6196
28	D	H	-0.7008
29	S	H	-0.4557
30	I	H	0.0000
31	S	H	-0.1214
34	S	H	0.0150
35	T	H	0.2930
36	T	H	0.4877
37	Y	H	0.8010
38	Y	H	0.6533
39	W	H	0.0000
40	V	H	0.0000
41	W	H	0.0000
42	I	H	0.0000
43	R	H	0.0000
44	Q	H	-0.5905
45	P	H	-0.7542
46	P	H	-0.8714
47	G	H	-1.4581
48	K	H	-2.2974
49	G	H	-1.4402
50	L	H	0.0000
51	E	H	-0.7869
52	W	H	0.0000
53	I	H	0.0000
54	G	H	0.0000
55	S	H	0.0000
56	I	H	0.0000
57	S	H	0.0000
58	Y	H	0.3998
59	S	H	-0.0705
63	G	H	-0.2992
64	S	H	-0.0852
65	T	H	0.2318
66	Y	H	0.5465
67	Y	H	-0.1731
68	N	H	0.0000
69	P	H	-0.6297
70	S	H	-0.9864
71	L	H	0.0000
72	K	H	-1.8401
74	S	H	-1.3208
75	R	H	-1.4585
76	V	H	0.0000
77	T	H	-0.8507
78	V	H	0.0000
79	S	H	-0.3877
80	V	H	-0.4421
81	D	H	-1.2632
82	T	H	-1.0721
83	S	H	-1.3379
84	K	H	-2.2007
85	N	H	-1.5054
86	Q	H	-1.2892
87	F	H	0.0000
88	S	H	-0.4857
89	L	H	0.0000
90	K	H	-1.2978
91	L	H	0.0000
92	N	H	-1.5302
93	S	H	-1.3611
94	V	H	0.0000
95	A	H	-0.5534
96	A	H	-0.1886
97	T	H	-0.0866
98	D	H	0.0000
99	T	H	0.2748
100	A	H	0.0000
101	L	H	0.5473
102	Y	H	0.0000
103	Y	H	0.0000
104	C	H	0.0000
105	A	H	0.0000
106	R	H	0.0000
107	H	H	0.0000
108	L	H	0.8065
109	G	H	0.0000
110	Y	H	0.7166
111	N	H	-0.9309
111A	G	H	-0.9593
112A	R	H	-0.9603
112	Y	H	0.3103
113	L	H	0.7139
114	P	H	0.0000
115	F	H	0.0000
116	D	H	-0.2597
117	Y	H	-0.3895
118	W	H	-0.8886
119	G	H	0.0000
120	Q	H	-1.7497
121	G	H	0.0000
122	T	H	0.0217
123	L	H	1.0196
124	V	H	0.0000
125	T	H	0.4369
126	V	H	0.0000
127	S	H	-0.2700
128	S	H	-0.4380
1	Q	L	-0.8436
2	S	L	-0.6978
3	A	L	-0.5012
4	L	L	0.0000
5	T	L	-0.3423
6	Q	L	-0.4920
7	P	L	-0.3666
8	A	L	-0.4399
9	S	L	-0.5458
11	V	L	-0.0433
12	S	L	0.0047
13	G	L	0.0000
14	S	L	-0.0099
15	P	L	-0.7102
16	G	L	-1.3733
17	Q	L	-1.4663
18	S	L	-0.9572
19	I	L	-0.2433
20	T	L	-0.0686
21	I	L	0.0000
22	S	L	-0.2609
23	C	L	0.0000
24	T	L	-0.4632
25	G	L	-0.2695
26	T	L	-0.1973
27	S	L	0.0698
28	S	L	0.5740
29	D	L	0.0000
30	V	L	0.0000
31	G	L	0.1094
35	F	L	1.5570
36	Y	L	0.4474
37	N	L	-0.3399
38	Y	L	0.2207
39	V	L	0.0000
40	S	L	0.0000
41	W	L	0.0000
42	Y	L	0.0000
43	Q	L	-1.3804
44	Q	L	0.0000
45	H	L	-2.0343
46	P	L	-1.3281
47	G	L	-1.5931
48	K	L	-2.5523
49	A	L	-1.6884
50	P	L	0.0000
51	E	L	-2.1064
52	L	L	0.0000
53	M	L	0.0000
54	I	L	0.0000
55	Y	L	-0.1231
56	D	L	0.0000
57	V	L	0.0000
65	S	L	-0.8044
66	N	L	-0.8791
67	R	L	-1.4229
68	P	L	-0.6786
69	S	L	-0.6330
70	G	L	-0.8196
71	V	L	-0.9906
72	S	L	-1.2108
74	D	L	-2.1395
75	R	L	-1.3460
76	F	L	0.0000
77	S	L	-0.9441
78	G	L	-0.5689
79	S	L	-0.7225
80	K	L	-0.9836
83	S	L	-0.8218
84	G	L	-0.7248
85	N	L	-0.6849
86	T	L	-0.7603
87	A	L	0.0000
88	S	L	-0.3715
89	L	L	0.0000
90	T	L	-0.2248
91	I	L	0.0000
92	S	L	-1.0861
93	G	L	-1.1288
94	L	L	0.0000
95	Q	L	-1.5411
96	A	L	-1.1367
97	E	L	-2.2557
98	D	L	0.0000
99	E	L	-1.7902
100	A	L	0.0000
101	D	L	-1.5512
102	Y	L	0.0000
103	Y	L	0.0000
104	C	L	0.0000
105	S	L	0.0000
106	S	L	0.0000
107	Y	L	0.6306
108	T	L	0.0000
109	S	L	1.0644
113	I	L	1.8543
114	S	L	1.0074
115	T	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	-0.9045
121	G	L	0.0000
122	T	L	0.0000
123	K	L	-1.3470
124	L	L	0.0000
125	T	L	-0.2663
126	V	L	0.1583
127	L	L	1.3543