Project name: Balstilimab

Chain sequence(s)	H: QVQLVESGGGVVQPGRSLRLSCAASGFTFSSYGMHWVRQAPGKGLEWVAVIWYDGSNKYYADSVKGRFTISRDNSKNTLYLQMNSLRAEDTAVYYCASNGDHWGQGTLVTVSS; L: EIVMTQSPATLSVSPGERATLSCRASQSVSSNLAWYQQKPGQAPRLLIYGASTRATGIPARFSGSGSGTEFTLTISSLQSEDFAVYYCQQYNNWPRTFGQGTKVEIK
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                                          (00:00:59)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:00)

• Minimal score value: -3.1722
• Maximal score value: 1.7951
• Average score: -0.6347
• Total score value: -139.6353

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	-1.4312
2	V	H	-0.9511
3	Q	H	-1.1388
4	L	H	0.0000
5	V	H	0.3831
6	E	H	0.0000
7	S	H	-0.3284
8	G	H	-0.6492
9	G	H	0.2622
11	G	H	0.9729
12	V	H	1.7793
13	V	H	-0.0390
14	Q	H	-1.1942
15	P	H	-1.7822
16	G	H	-2.0432
17	R	H	-2.5870
18	S	H	-1.8514
19	L	H	-1.0720
20	R	H	-1.7479
21	L	H	0.0000
22	S	H	-0.4053
23	C	H	0.0000
24	A	H	-0.3630
25	A	H	0.0000
26	S	H	-0.9612
27	G	H	-0.9733
28	F	H	-0.3720
29	T	H	-0.1129
30	F	H	0.0000
35	S	H	-0.7110
36	S	H	-0.1581
37	Y	H	0.1223
38	G	H	-0.1800
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	-0.6013
45	A	H	-1.0181
46	P	H	-0.7997
47	G	H	-1.4536
48	K	H	-2.3854
49	G	H	-1.5914
50	L	H	0.0000
51	E	H	-1.0275
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	-0.3202
58	Y	H	-0.0321
59	D	H	-1.4051
62	G	H	-1.0207
63	S	H	-0.9234
64	N	H	-0.9818
65	K	H	-0.7655
66	Y	H	-0.3435
67	Y	H	-0.7644
68	A	H	-1.4247
69	D	H	-2.3348
70	S	H	-1.6593
71	V	H	0.0000
72	K	H	-2.2427
74	G	H	-1.5607
75	R	H	-1.3436
76	F	H	0.0000
77	T	H	-0.8182
78	I	H	0.0000
79	S	H	-0.4112
80	R	H	-0.9640
81	D	H	-1.6495
82	N	H	-1.7873
83	S	H	-1.5846
84	K	H	-2.4286
85	N	H	-1.8659
86	T	H	-1.0760
87	L	H	0.0000
88	Y	H	-0.4530
89	L	H	0.0000
90	Q	H	-1.1562
91	M	H	0.0000
92	N	H	-1.7150
93	S	H	-1.6623
94	L	H	0.0000
95	R	H	-2.2972
96	A	H	-1.5612
97	E	H	-2.1776
98	D	H	0.0000
99	T	H	-0.3079
100	A	H	0.0000
101	V	H	0.9003
102	Y	H	0.0000
103	Y	H	0.0000
104	C	H	0.0000
105	A	H	0.0000
106	S	H	0.0000
107	N	H	-1.0931
115	G	H	-1.0092
116	D	H	-1.3320
117	H	H	-1.1243
118	W	H	-0.9754
119	G	H	0.0000
120	Q	H	-1.3477
121	G	H	-0.2325
122	T	H	0.5548
123	L	H	1.7951
124	V	H	0.0000
125	T	H	0.5906
126	V	H	0.0000
127	S	H	-0.4410
128	S	H	-0.4438
1	E	L	-1.6266
2	I	L	0.0000
3	V	L	0.6514
4	M	L	0.0000
5	T	L	-0.7498
6	Q	L	0.0000
7	S	L	-0.8230
8	P	L	-0.3871
9	A	L	-0.5392
10	T	L	-0.5420
11	L	L	-0.1764
12	S	L	-0.2185
13	V	L	-0.7456
14	S	L	-1.2379
15	P	L	-1.5297
16	G	L	-2.1728
17	E	L	-3.1722
18	R	L	-2.9417
19	A	L	0.0000
20	T	L	-0.7368
21	L	L	0.0000
22	S	L	-0.9096
23	C	L	0.0000
24	R	L	-2.3564
25	A	L	0.0000
26	S	L	-0.9331
27	Q	L	-1.4567
28	S	L	-1.3841
29	V	L	0.0000
36	S	L	-0.9388
37	S	L	-0.7482
38	N	L	-0.7907
39	L	L	0.0000
40	A	L	0.0000
41	W	L	0.0000
42	Y	L	0.0000
43	Q	L	-0.9286
44	Q	L	0.0000
45	K	L	-1.5775
46	P	L	-1.0451
47	G	L	-1.4595
48	Q	L	-2.1589
49	A	L	0.0000
50	P	L	0.0000
51	R	L	-2.0106
52	L	L	0.0000
53	L	L	0.0000
54	I	L	0.0000
55	Y	L	0.2553
56	G	L	-0.1977
57	A	L	0.0000
65	S	L	-0.5087
66	T	L	-0.3699
67	R	L	-0.8205
68	A	L	-0.7105
69	T	L	-0.4752
70	G	L	-0.4904
71	I	L	-0.3990
72	P	L	-0.2828
74	A	L	-0.2801
75	R	L	-0.6197
76	F	L	0.0000
77	S	L	-0.4625
78	G	L	-0.4112
79	S	L	-0.6966
80	G	L	-1.1499
83	S	L	-1.2125
84	G	L	-1.2950
85	T	L	-1.7876
86	E	L	-2.3075
87	F	L	0.0000
88	T	L	-0.8207
89	L	L	0.0000
90	T	L	-0.6065
91	I	L	0.0000
92	S	L	-1.5430
93	S	L	-2.0149
94	L	L	0.0000
95	Q	L	-1.9648
96	S	L	-1.1640
97	E	L	-1.7955
98	D	L	0.0000
99	F	L	-0.3514
100	A	L	0.0000
101	V	L	-0.5331
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	Y	L	-0.3879
108	N	L	-1.2158
109	N	L	-1.4911
114	W	L	-0.5655
115	P	L	-0.8065
116	R	L	-0.4495
117	T	L	0.0000
118	F	L	0.0495
119	G	L	0.0000
120	Q	L	-1.3434
121	G	L	0.0000
122	T	L	0.0000
123	K	L	-1.1133
124	V	L	0.0000
125	E	L	-0.0864
126	I	L	0.8666
127	K	L	-0.8244