Project name: Socazolimab

Chain sequence(s)	H: EVQLVESGAEVKKPGSSVKVSCKASGGTFSSYAISWVRQAPGQGLEWMGGIIPIFGTANYAQKFQGRVTITADESTSTAYMELSSLRSEDTAVYYCARAPYYYYYMDVWGQGTTVTVSS; L: QSALTQPASVSGSLGQSVTISCTGSSSDVGSYNLVSWYQQHPGKAPNLMIYDVSKRSGVSNRFSGSKSGNTASLTISGLQAEDEADYYCSSYTGISTVVFGGGTKLTVL
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                                          (00:01:07)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:08)

• Minimal score value: -3.1759
• Maximal score value: 2.6384
• Average score: -0.3874
• Total score value: -88.3217

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	E	H	-2.2208
2	V	H	-1.4115
3	Q	H	-1.6502
4	L	H	0.0000
5	V	H	0.3409
6	E	H	0.0000
7	S	H	-0.5644
8	G	H	-0.6402
9	A	H	-0.1126
11	E	H	-0.2422
12	V	H	0.8509
13	K	H	-0.9545
14	K	H	-2.1726
15	P	H	-2.2745
16	G	H	-1.6365
17	S	H	-1.3065
18	S	H	-1.4435
19	V	H	0.0000
20	K	H	-2.0796
21	V	H	0.0000
22	S	H	-0.4805
23	C	H	0.0000
24	K	H	-0.6180
25	A	H	0.0000
26	S	H	-1.0087
27	G	H	-1.4451
28	G	H	-1.1166
29	T	H	-0.6927
30	F	H	0.0000
35	S	H	0.4902
36	S	H	0.8115
37	Y	H	0.8026
38	A	H	1.0307
39	I	H	0.0000
40	S	H	0.0000
41	W	H	0.0000
42	V	H	0.0000
43	R	H	0.0000
44	Q	H	-0.6297
45	A	H	-1.0175
46	P	H	-0.8399
47	G	H	-1.2439
48	Q	H	-1.7303
49	G	H	-1.1809
50	L	H	0.0000
51	E	H	-0.7950
52	W	H	0.0000
53	M	H	0.0000
54	G	H	0.0000
55	G	H	0.0000
56	I	H	0.0000
57	I	H	1.2718
58	P	H	0.9188
59	I	H	2.3668
62	F	H	2.6384
63	G	H	0.7538
64	T	H	0.6724
65	A	H	0.1288
66	N	H	-0.1436
67	Y	H	-0.8847
68	A	H	0.0000
69	Q	H	-2.6569
70	K	H	-2.9353
71	F	H	0.0000
72	Q	H	-2.3821
74	G	H	-1.6273
75	R	H	-1.4624
76	V	H	0.0000
77	T	H	-0.8449
78	I	H	0.0000
79	T	H	-0.2299
80	A	H	-0.5992
81	D	H	-1.4088
82	E	H	-1.9336
83	S	H	-1.2950
84	T	H	-1.0516
85	S	H	-1.3469
86	T	H	0.0000
87	A	H	0.0000
88	Y	H	-0.4596
89	M	H	0.0000
90	E	H	-1.5573
91	L	H	0.0000
92	S	H	-1.2341
93	S	H	-1.2492
94	L	H	0.0000
95	R	H	-3.1759
96	S	H	-2.3995
97	E	H	-2.5837
98	D	H	0.0000
99	T	H	-0.9204
100	A	H	0.0000
101	V	H	0.1471
102	Y	H	0.0000
103	Y	H	0.0000
104	C	H	0.0000
105	A	H	0.0000
106	R	H	-0.0891
107	A	H	0.0000
108	P	H	0.8104
109	Y	H	1.6753
110	Y	H	2.0171
112	Y	H	1.7801
113	Y	H	1.1477
114	Y	H	0.6818
115	M	H	0.0000
116	D	H	-0.3986
117	V	H	-0.4776
118	W	H	-0.5136
119	G	H	0.0000
120	Q	H	-1.4421
121	G	H	-0.7073
122	T	H	0.0000
123	T	H	-0.0546
124	V	H	0.0000
125	T	H	-0.3704
126	V	H	0.0000
127	S	H	-1.1355
128	S	H	-1.0093
1	Q	L	-1.7761
2	S	L	-0.8102
3	A	L	-0.5070
4	L	L	0.0000
5	T	L	-0.3502
6	Q	L	-0.3862
7	P	L	-0.3642
8	A	L	-0.4000
9	S	L	-0.4997
11	V	L	-0.1608
12	S	L	0.0348
13	G	L	0.2449
14	S	L	0.8032
15	L	L	1.2027
16	G	L	-0.3577
17	Q	L	-0.9994
18	S	L	-0.8210
19	V	L	-0.3458
20	T	L	-0.0809
21	I	L	0.0000
22	S	L	-0.2763
23	C	L	0.0000
24	T	L	-0.5618
25	G	L	-0.5853
26	S	L	-0.7230
27	S	L	-0.7340
28	S	L	-0.4892
29	D	L	0.0000
30	V	L	0.0000
31	G	L	-1.0813
35	S	L	-0.6117
36	Y	L	-0.2951
37	N	L	-0.9995
38	L	L	0.1472
39	V	L	0.0000
40	S	L	0.0000
41	W	L	0.0000
42	Y	L	0.0000
43	Q	L	0.0000
44	Q	L	0.0000
45	H	L	-1.6160
46	P	L	-1.2614
47	G	L	-1.5808
48	K	L	-2.3984
49	A	L	-1.4177
50	P	L	0.0000
51	N	L	-1.1688
52	L	L	0.0000
53	M	L	0.0000
54	I	L	0.0000
55	Y	L	0.2300
56	D	L	0.1572
65	V	L	0.6221
66	S	L	-0.0181
67	K	L	-1.1081
68	R	L	-1.0088
69	S	L	-0.7878
70	G	L	-0.8507
71	V	L	-0.8963
72	S	L	-1.0533
74	N	L	-1.7048
75	R	L	-1.1594
76	F	L	0.0000
77	S	L	-0.3716
78	G	L	0.0000
79	S	L	-0.1795
80	K	L	-0.8839
83	S	L	-0.8772
84	G	L	-1.2950
85	N	L	-1.3895
86	T	L	-0.8604
87	A	L	0.0000
88	S	L	-0.1437
89	L	L	0.0000
90	T	L	-0.1948
91	I	L	0.0000
92	S	L	-0.8749
93	G	L	-0.7600
94	L	L	0.0000
95	Q	L	-0.7906
96	A	L	-0.6237
97	E	L	-2.1524
98	D	L	0.0000
99	E	L	-1.4452
100	A	L	0.0000
101	D	L	-0.9888
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	0.5110
108	T	L	0.5397
109	G	L	0.7595
113	I	L	1.8490
114	S	L	0.8949
115	T	L	0.2710
116	V	L	0.0000
117	V	L	-0.1285
118	F	L	0.0000
119	G	L	0.0000
120	G	L	-0.8293
121	G	L	0.0000
122	T	L	0.0000
123	K	L	-1.0305
124	L	L	0.0000
125	T	L	-0.0363
126	V	L	0.5420
127	L	L	1.7230