Project name: Cudarolimab

Chain sequence(s)	H: QVQLVESGGGVVQPGRSLRLSCAASGFTFSSYGMHWVRQAPGKGLEWVAVISYDGSNKYYADSVKGRFTISRDNSKNTLYLQMNSLRAEDTAVYYCARGRPWYSETGTSAFDIWGQGTMVTVSS; L: DIQMTQSPSSLSASVGDRVTITCQASQDISNYLNWYQQKPGKAPKLLIYDASNLETGVPSRFSGSGSGTDFTFTISSLQPEDIATYYCQQSDHYPTFGGGTKVEIK
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                                          (00:01:00)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:02)

• Minimal score value: -2.7154
• Maximal score value: 1.5078
• Average score: -0.6156
• Total score value: -141.5887

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	-0.9360
2	V	H	0.1479
3	Q	H	-0.4610
4	L	H	0.0000
5	V	H	0.3418
6	E	H	0.0000
7	S	H	-0.5008
8	G	H	-0.8145
9	G	H	-0.1614
11	G	H	0.5612
12	V	H	1.5078
13	V	H	0.0000
14	Q	H	-1.2380
15	P	H	-1.5642
16	G	H	-2.0532
17	R	H	-2.6111
18	S	H	-1.7338
19	L	H	-1.0095
20	R	H	-1.5242
21	L	H	0.0000
22	S	H	-0.4068
23	C	H	0.0000
24	A	H	-0.2704
25	A	H	0.0000
26	S	H	-0.6024
27	G	H	-0.4873
28	F	H	-0.0956
29	T	H	-0.1866
30	F	H	0.0000
35	S	H	-0.9051
36	S	H	0.0000
37	Y	H	0.1693
38	G	H	-0.4782
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	-0.7244
45	A	H	-1.1404
46	P	H	-0.9220
47	G	H	-1.4490
48	K	H	-2.2594
49	G	H	-1.3901
50	L	H	0.0000
51	E	H	-0.9265
52	W	H	0.0000
53	V	H	0.0000
54	A	H	0.0000
55	V	H	0.2973
56	I	H	0.0000
57	S	H	0.0000
58	Y	H	-0.7660
59	D	H	-2.0597
62	G	H	-1.4553
63	S	H	-1.2056
64	N	H	-1.3578
65	K	H	-0.5492
66	Y	H	0.2192
67	Y	H	-0.4616
68	A	H	-1.2267
69	D	H	-2.4197
70	S	H	-1.8106
71	V	H	0.0000
72	K	H	-2.4622
74	G	H	-1.7304
75	R	H	-1.6182
76	F	H	0.0000
77	T	H	-0.7316
78	I	H	0.0000
79	S	H	-0.6113
80	R	H	-1.0939
81	D	H	-1.6315
82	N	H	-1.8900
83	S	H	-1.5503
84	K	H	-2.3524
85	N	H	-1.7129
86	T	H	-1.0091
87	L	H	0.0000
88	Y	H	-0.4091
89	L	H	0.0000
90	Q	H	-1.0057
91	M	H	0.0000
92	N	H	-1.6657
93	S	H	-1.6204
94	L	H	0.0000
95	R	H	-2.2840
96	A	H	-1.5696
97	E	H	-2.1661
98	D	H	0.0000
99	T	H	-0.5310
100	A	H	0.0000
101	V	H	0.3431
102	Y	H	0.0000
103	Y	H	0.0000
104	C	H	0.0000
105	A	H	0.0000
106	R	H	-0.3090
107	G	H	0.0000
108	R	H	-0.4148
109	P	H	-0.1962
110	W	H	0.6532
111	Y	H	0.9892
111A	S	H	-0.4672
111B	E	H	-1.8111
112B	T	H	-1.0333
112A	G	H	-1.2336
112	T	H	-0.9370
113	S	H	-0.3038
114	A	H	0.0000
115	F	H	0.0000
116	D	H	-0.3701
117	I	H	0.0261
118	W	H	0.0000
119	G	H	0.0000
120	Q	H	-1.4816
121	G	H	-0.5525
122	T	H	-0.0556
123	M	H	0.6148
124	V	H	0.0000
125	T	H	0.2566
126	V	H	0.0000
127	S	H	-0.2321
128	S	H	-0.3178
1	D	L	-2.2368
2	I	L	0.0000
3	Q	L	-1.9893
4	M	L	0.0000
5	T	L	-1.0297
6	Q	L	0.0000
7	S	L	-0.4991
8	P	L	-0.5275
9	S	L	-0.7027
10	S	L	-0.8460
11	L	L	-0.6535
12	S	L	-0.9385
13	A	L	0.0000
14	S	L	-0.7042
15	V	L	0.2753
16	G	L	-0.6934
17	D	L	-1.6309
18	R	L	-2.2873
19	V	L	0.0000
20	T	L	-0.6159
21	I	L	0.0000
22	T	L	-0.6701
23	C	L	0.0000
24	Q	L	-2.0945
25	A	L	0.0000
26	S	L	-1.9554
27	Q	L	-2.5261
28	D	L	-2.7154
29	I	L	0.0000
36	S	L	-1.2803
37	N	L	-0.8424
38	Y	L	-0.2967
39	L	L	0.0000
40	N	L	0.0000
41	W	L	0.0000
42	Y	L	0.0000
43	Q	L	0.0000
44	Q	L	-1.0896
45	K	L	-1.4737
46	P	L	-1.0768
47	G	L	-1.6585
48	K	L	-2.5373
49	A	L	-1.5489
50	P	L	0.0000
51	K	L	-1.1079
52	L	L	0.0000
53	L	L	0.0000
54	I	L	0.0000
55	Y	L	-0.1352
56	D	L	-0.7188
57	A	L	0.0000
65	S	L	-0.5902
66	N	L	-0.5634
67	L	L	0.1750
68	E	L	0.0000
69	T	L	-0.1873
70	G	L	-0.3763
71	V	L	-0.1692
72	P	L	-0.2667
74	S	L	-0.3611
75	R	L	-0.7952
76	F	L	0.0000
77	S	L	-0.3282
78	G	L	0.0000
79	S	L	-0.8409
80	G	L	-1.0411
83	S	L	-1.2983
84	G	L	-1.6629
85	T	L	-2.0545
86	D	L	-2.2751
87	F	L	0.0000
88	T	L	-0.6449
89	F	L	0.0000
90	T	L	0.0000
91	I	L	0.0000
92	S	L	-1.4038
93	S	L	-1.1816
94	L	L	0.0000
95	Q	L	-0.9319
96	P	L	-0.9859
97	E	L	-1.6214
98	D	L	0.0000
99	I	L	-0.2356
100	A	L	0.0000
101	T	L	-0.6744
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	S	L	0.0000
108	D	L	-1.6888
114	H	L	-1.0260
115	Y	L	0.1861
116	P	L	0.0000
117	T	L	-0.6992
118	F	L	-0.3151
119	G	L	0.0000
120	G	L	-1.1522
121	G	L	0.0000
122	T	L	0.0000
123	K	L	-1.2767
124	V	L	0.0000
125	E	L	-0.9510
126	I	L	-0.6646
127	K	L	-1.4815