Project name: Tuvonralimab

Chain sequence(s)	H: QVQLVESGGGVVEPGRSLRLSCAASGFTFSSYGMHWVRQAPGKGLEWVAVIWYKPSEKDYADSAKGRFTISRDNSKNTLYLQMNSLRAEDTAVYYCARGGLLGYFDYWGQGTLVTVSS; L: EIVLTQSPGTLSLSPGERATLSCRASQSINSYLAWYQQKPGQAPRPLIYGVSSRATGIPDRFSGSGSGTDFTLTISRLEPEDFAVYYCQQYGRYPFTFGPGTKVDIK
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                                          (00:01:49)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:51)

• Minimal score value: -3.1051
• Maximal score value: 1.897
• Average score: -0.6051
• Total score value: -136.1449

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	-1.4175
2	V	H	-0.7634
3	Q	H	-1.0992
4	L	H	0.0000
5	V	H	0.0714
6	E	H	0.0000
7	S	H	-0.3986
8	G	H	-0.4821
9	G	H	0.1682
11	G	H	0.8304
12	V	H	1.5155
13	V	H	0.0000
14	E	H	-1.6617
15	P	H	-1.9716
16	G	H	-2.0045
17	R	H	-2.3031
18	S	H	-1.6592
19	L	H	-1.2049
20	R	H	-1.9173
21	L	H	0.0000
22	S	H	-0.3917
23	C	H	0.0000
24	A	H	-0.4249
25	A	H	0.0000
26	S	H	-0.9457
27	G	H	-0.9730
28	F	H	-0.3735
29	T	H	-0.1800
30	F	H	0.0000
35	S	H	-0.6779
36	S	H	-0.1378
37	Y	H	0.5449
38	G	H	0.1826
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	-0.6082
45	A	H	-1.0215
46	P	H	-0.8121
47	G	H	-1.4533
48	K	H	-2.2252
49	G	H	-1.3218
50	L	H	0.0000
51	E	H	-0.8978
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	-0.5776
58	Y	H	-0.3098
59	K	H	-1.7006
62	P	H	-1.4000
63	S	H	-1.4212
64	E	H	-2.0268
65	K	H	-1.7757
66	D	H	-1.4384
67	Y	H	-1.2027
68	A	H	0.0000
69	D	H	-2.6212
70	S	H	-1.6984
71	A	H	0.0000
72	K	H	-2.4309
74	G	H	-1.6561
75	R	H	-1.5166
76	F	H	0.0000
77	T	H	-0.9949
78	I	H	0.0000
79	S	H	-0.3046
80	R	H	0.0000
81	D	H	-1.3463
82	N	H	-1.6838
83	S	H	-1.5333
84	K	H	-2.3553
85	N	H	-1.7338
86	T	H	-0.9876
87	L	H	0.0000
88	Y	H	-0.3166
89	L	H	0.0000
90	Q	H	-1.2323
91	M	H	0.0000
92	N	H	-1.7087
93	S	H	-1.6663
94	L	H	0.0000
95	R	H	-2.6068
96	A	H	-1.7764
97	E	H	-2.2905
98	D	H	0.0000
99	T	H	-0.3895
100	A	H	0.0000
101	V	H	0.7784
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	G	H	0.0000
108	G	H	0.9477
109	L	H	1.8970
110	L	H	1.5908
113	G	H	0.0000
114	Y	H	0.7300
115	F	H	0.0000
116	D	H	0.0803
117	Y	H	0.2204
118	W	H	-0.1112
119	G	H	0.0000
120	Q	H	-1.4197
121	G	H	-0.2726
122	T	H	0.4546
123	L	H	1.7031
124	V	H	0.0000
125	T	H	0.3580
126	V	H	0.0000
127	S	H	-0.7290
128	S	H	-0.5082
1	E	L	-1.7728
2	I	L	0.0000
3	V	L	0.7927
4	L	L	0.0000
5	T	L	-0.5765
6	Q	L	0.0000
7	S	L	-0.8733
8	P	L	-0.6457
9	G	L	-0.9247
10	T	L	-0.7731
11	L	L	-0.2364
12	S	L	-0.1323
13	L	L	-0.4475
14	S	L	-0.9590
15	P	L	-1.3726
16	G	L	-1.9779
17	E	L	-2.7049
18	R	L	-3.1051
19	A	L	0.0000
20	T	L	-0.6745
21	L	L	0.0000
22	S	L	-0.9075
23	C	L	0.0000
24	R	L	-2.2366
25	A	L	0.0000
26	S	L	-0.8024
27	Q	L	-1.3602
28	S	L	-1.3638
29	I	L	0.0000
36	N	L	-1.6073
37	S	L	-0.7839
38	Y	L	0.1181
39	L	L	0.0000
40	A	L	0.0000
41	W	L	0.0000
42	Y	L	0.0000
43	Q	L	0.0000
44	Q	L	0.0000
45	K	L	-1.3191
46	P	L	-0.9652
47	G	L	-1.4042
48	Q	L	-1.9632
49	A	L	-1.1738
50	P	L	0.0000
51	R	L	-0.7079
52	P	L	-0.3517
53	L	L	0.0000
54	I	L	0.0000
55	Y	L	0.1583
56	G	L	-0.0826
57	V	L	0.0000
65	S	L	-0.6361
66	S	L	-0.6235
67	R	L	-1.4071
68	A	L	-0.6851
69	T	L	-0.5352
70	G	L	-0.7872
71	I	L	-0.8976
72	P	L	-1.2392
74	D	L	-2.1733
75	R	L	-1.8424
76	F	L	0.0000
77	S	L	-0.9319
78	G	L	0.0000
79	S	L	-0.7080
80	G	L	-1.2876
83	S	L	-1.3005
84	G	L	-1.4986
85	T	L	-1.8041
86	D	L	-2.1664
87	F	L	0.0000
88	T	L	-0.7724
89	L	L	0.0000
90	T	L	-0.7960
91	I	L	0.0000
92	S	L	-2.2022
93	R	L	-2.9601
94	L	L	0.0000
95	E	L	-1.8849
96	P	L	-1.0725
97	E	L	-1.6432
98	D	L	0.0000
99	F	L	-0.2313
100	A	L	0.0000
101	V	L	-0.4352
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	0.0000
108	G	L	-0.4697
109	R	L	-1.0390
114	Y	L	-0.5883
115	P	L	-0.8887
116	F	L	0.0000
117	T	L	-0.1767
118	F	L	0.0000
119	G	L	0.0000
120	P	L	-0.5602
121	G	L	-0.8398
122	T	L	0.0000
123	K	L	-1.3794
124	V	L	0.0000
125	D	L	0.1100
126	I	L	1.0993
127	K	L	-0.7566