Project name: Garetosmab

Chain sequence(s)	H: QVQLQESGPGLVKPSETLSLTCTVSGGSFSSHFWSWIRQPPGKGLEWIGYILYTGGTSFNPSLKSRVSMSVGTSKNQFSLKLSSVTAADTAVYYCARARSGITFTGIIVPGSFDIWGQGTMVTVSS; L: EIVLTQSPGTLSLSPGERATLSCRASQSVSSSYLAWYQQKPGQAPRLLIYGASSRATGIPDRFSGSGSGTDFTLTISRLEPEDFAVYYCQQYGSSPWTFGQGTKVEIK
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                                          (00:01:11)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:12)

• Minimal score value: -3.4091
• Maximal score value: 2.7954
• Average score: -0.5
• Total score value: -117.0052

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	-1.6310
2	V	H	-1.3039
3	Q	H	-1.9939
4	L	H	0.0000
5	Q	H	-1.8128
6	E	H	0.0000
7	S	H	-0.6878
8	G	H	-0.4522
9	P	H	-0.0066
11	G	H	0.3599
12	L	H	0.8860
13	V	H	0.0000
14	K	H	-1.9142
15	P	H	-1.3430
16	S	H	-1.2916
17	E	H	-1.7104
18	T	H	-1.2952
19	L	H	0.0000
20	S	H	-0.9155
21	L	H	0.0000
22	T	H	-0.6317
23	C	H	0.0000
24	T	H	-1.1503
25	V	H	0.0000
26	S	H	-1.4819
27	G	H	-1.3367
28	G	H	-1.0242
29	S	H	-0.5069
30	F	H	0.0000
35	S	H	-0.2293
36	S	H	-0.2947
37	H	H	-0.1049
38	F	H	0.2472
39	W	H	0.0000
40	S	H	0.0000
41	W	H	0.0000
42	I	H	0.0000
43	R	H	0.0000
44	Q	H	-0.6934
45	P	H	-0.8207
46	P	H	-0.9347
47	G	H	-1.4280
48	K	H	-2.3808
49	G	H	-1.5840
50	L	H	0.0000
51	E	H	-0.6683
52	W	H	0.0000
53	I	H	0.0000
54	G	H	0.0000
55	Y	H	0.2168
56	I	H	0.0000
57	L	H	0.4037
58	Y	H	0.3976
59	T	H	0.0216
63	G	H	-0.1792
64	G	H	-0.1890
65	T	H	-0.0743
66	S	H	-0.2844
67	F	H	-0.5332
68	N	H	-0.7996
69	P	H	-1.0385
70	S	H	-0.9200
71	L	H	0.0000
72	K	H	-2.0838
74	S	H	-1.3570
75	R	H	-1.4155
76	V	H	0.0000
77	S	H	-1.1074
78	M	H	0.0000
79	S	H	-0.3524
80	V	H	-0.1178
81	G	H	-0.7734
82	T	H	-0.8699
83	S	H	-1.1684
84	K	H	-2.0366
85	N	H	-1.3426
86	Q	H	-1.0745
87	F	H	0.0000
88	S	H	-0.5292
89	L	H	0.0000
90	K	H	-1.5658
91	L	H	0.0000
92	S	H	-1.0460
93	S	H	-0.9970
94	V	H	0.0000
95	T	H	-0.5774
96	A	H	-0.2669
97	A	H	0.0548
98	D	H	0.0000
99	T	H	0.2299
100	A	H	0.0000
101	V	H	0.2820
102	Y	H	0.0000
103	Y	H	0.0000
104	C	H	0.0000
105	A	H	0.0000
106	R	H	-0.4098
107	A	H	0.0000
108	R	H	-0.2365
109	S	H	0.5658
110	G	H	0.8673
111	I	H	2.1774
111A	T	H	2.0923
111B	F	H	2.6351
111C	T	H	1.9358
112D	G	H	1.7375
112C	I	H	2.7954
112B	I	H	2.5592
112A	V	H	0.0000
112	P	H	0.7467
113	G	H	0.0000
114	S	H	0.0000
115	F	H	0.0000
116	D	H	-0.5395
117	I	H	-0.6263
118	W	H	-0.7259
119	G	H	0.0000
120	Q	H	-1.7961
121	G	H	0.0000
122	T	H	-0.2551
123	M	H	0.5246
124	V	H	0.0000
125	T	H	0.2841
126	V	H	0.0000
127	S	H	-0.5438
128	S	H	-0.7312
1	E	L	-1.6598
2	I	L	0.0000
3	V	L	0.6235
4	L	L	0.0000
5	T	L	-0.7998
6	Q	L	0.0000
7	S	L	-0.9849
8	P	L	-0.6213
9	G	L	-1.0172
10	T	L	-0.9292
11	L	L	-0.7195
12	S	L	-0.9449
13	L	L	-1.0936
14	S	L	-1.7270
15	P	L	-1.9279
16	G	L	-1.9319
17	E	L	-2.5903
18	R	L	-3.0835
19	A	L	0.0000
20	T	L	-0.8276
21	L	L	0.0000
22	S	L	-0.8888
23	C	L	0.0000
24	R	L	-2.3048
25	A	L	0.0000
26	S	L	-1.0209
27	Q	L	-1.7147
28	S	L	-1.3596
29	V	L	0.0000
30	S	L	-0.6127
36	S	L	-0.4016
37	S	L	-0.4662
38	Y	L	-0.0527
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	-0.7189
45	K	L	-1.0049
46	P	L	-0.7316
47	G	L	-1.3642
48	Q	L	-1.9346
49	A	L	-1.2135
50	P	L	0.0000
51	R	L	-1.0099
52	L	L	0.0000
53	L	L	0.0000
54	I	L	0.0000
55	Y	L	0.0030
56	G	L	-0.2284
57	A	L	0.0000
65	S	L	-0.5786
66	S	L	-0.5571
67	R	L	-1.2453
68	A	L	-0.6700
69	T	L	-0.5476
70	G	L	-0.8382
71	I	L	0.0000
72	P	L	-1.2611
74	D	L	-2.3643
75	R	L	-2.0374
76	F	L	0.0000
77	S	L	-0.9297
78	G	L	-0.5099
79	S	L	-0.6636
80	G	L	-1.0452
83	S	L	-1.0314
84	G	L	-1.1913
85	T	L	-1.6929
86	D	L	-2.0374
87	F	L	0.0000
88	T	L	-0.7570
89	L	L	0.0000
90	T	L	-0.8555
91	I	L	0.0000
92	S	L	-2.4013
93	R	L	-3.4091
94	L	L	0.0000
95	E	L	-2.1582
96	P	L	-1.5632
97	E	L	-1.8065
98	D	L	0.0000
99	F	L	0.0011
100	A	L	0.0000
101	V	L	-0.3612
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	-0.0873
109	S	L	-0.7954
114	S	L	-0.7469
115	P	L	0.0000
116	W	L	0.0000
117	T	L	-0.2117
118	F	L	0.0000
119	G	L	0.0000
120	Q	L	-1.4055
121	G	L	0.0000
122	T	L	0.0000
123	K	L	-1.2788
124	V	L	0.0000
125	E	L	-1.2972
126	I	L	-1.3172
127	K	L	-1.9215