Project name: Lesofavumab

Chain sequence(s)	H: EVQLVQSGAEVKKPGESLKISCKVSGYSFTSQWIGWVRQMPGKGLEWIGMMYPGESETIYSPSFQGQVTISADNSISTAYLQWSSLKASDTAIYYCASGPGYSGYHYGWFDTWGQGTLVTVSS; L: DIVMTQSPLSLPVTPGEPASISCRSSQSLLRSNGYNYLDWYLQKPGQSPQLLIYLGSNRASGVPDRFSGSGSGTDFTLKISRVEAEDVGVYYCMQALQTPYTFGQGTKLEIK
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                                          (00:01:01)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:03)

• Minimal score value: -2.5438
• Maximal score value: 1.236
• Average score: -0.4653
• Total score value: -109.3465

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	-1.9220
2	V	H	-1.0820
3	Q	H	-1.0630
4	L	H	0.0000
5	V	H	0.2555
6	Q	H	0.0000
7	S	H	-0.4170
8	G	H	-0.4236
9	A	H	0.3956
11	E	H	0.3952
12	V	H	1.2360
13	K	H	-0.7763
14	K	H	-1.8933
15	P	H	-1.7661
16	G	H	-1.8063
17	E	H	-2.2657
18	S	H	-1.6514
19	L	H	0.0000
20	K	H	-1.3862
21	I	H	0.0000
22	S	H	-0.4285
23	C	H	0.0000
24	K	H	-0.5598
25	V	H	0.0000
26	S	H	-0.7671
27	G	H	-1.0519
28	Y	H	-0.4475
29	S	H	-0.3276
30	F	H	0.0000
35	T	H	-0.6718
36	S	H	-0.0945
37	Q	H	0.1444
38	W	H	0.0054
39	I	H	0.0000
40	G	H	0.0000
41	W	H	0.0000
42	V	H	0.0000
43	R	H	-0.2644
44	Q	H	0.0000
45	M	H	-0.4951
46	P	H	-0.7031
47	G	H	-1.3098
48	K	H	-2.2194
49	G	H	-1.3771
50	L	H	0.0000
51	E	H	-0.7317
52	W	H	0.0000
53	I	H	0.0000
54	G	H	0.0000
55	M	H	0.0000
56	M	H	0.0000
57	Y	H	-0.8802
58	P	H	0.0000
59	G	H	-1.5850
62	E	H	-2.5438
63	S	H	-2.1040
64	E	H	-2.3490
65	T	H	-0.8910
66	I	H	-0.0793
67	Y	H	0.0582
68	S	H	0.0000
69	P	H	-0.8945
70	S	H	-0.7124
71	F	H	-0.8778
72	Q	H	-1.5378
74	G	H	-1.3746
75	Q	H	-1.4810
76	V	H	0.0000
77	T	H	-0.7077
78	I	H	0.0000
79	S	H	-0.5249
80	A	H	-0.4214
81	D	H	-0.7010
82	N	H	-0.6933
83	S	H	0.1815
84	I	H	1.2279
85	S	H	0.0319
86	T	H	0.0000
87	A	H	0.0000
88	Y	H	-0.4549
89	L	H	0.0000
90	Q	H	-1.0571
91	W	H	0.0000
92	S	H	-1.0842
93	S	H	-1.3884
94	L	H	0.0000
95	K	H	-1.4557
96	A	H	-0.7990
97	S	H	-0.4227
98	D	H	0.0000
99	T	H	0.1738
100	A	H	0.0000
101	I	H	0.7052
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	G	H	0.0000
108	P	H	0.0000
109	G	H	0.0000
110	Y	H	1.2122
111	S	H	0.5458
111A	G	H	0.5517
112B	Y	H	1.0980
112A	H	H	0.4585
112	Y	H	0.6526
113	G	H	0.0000
114	W	H	0.0543
115	F	H	0.0000
116	D	H	-0.8987
117	T	H	-0.6971
118	W	H	0.0000
119	G	H	0.0000
120	Q	H	-1.2091
121	G	H	-0.3311
122	T	H	0.0000
123	L	H	1.0969
124	V	H	0.0000
125	T	H	0.4025
126	V	H	0.0000
127	S	H	-0.6853
128	S	H	-0.8230
1	D	L	-1.5651
2	I	L	0.0000
3	V	L	0.8144
4	M	L	0.0000
5	T	L	-0.5378
6	Q	L	0.0000
7	S	L	-0.2141
8	P	L	0.2168
9	L	L	0.9768
10	S	L	0.1957
11	L	L	-0.0041
12	P	L	-0.6444
13	V	L	0.0000
14	T	L	-1.2632
15	P	L	-1.4048
16	G	L	-1.6863
17	E	L	-1.9484
18	P	L	-1.5547
19	A	L	0.0000
20	S	L	-0.6356
21	I	L	0.0000
22	S	L	-0.8327
23	C	L	0.0000
24	R	L	-2.2487
25	S	L	0.0000
26	S	L	-0.6633
27	Q	L	-0.8573
28	S	L	-0.6250
29	L	L	0.0000
30	L	L	0.2405
31	R	L	-0.5502
32	S	L	-0.9267
34	N	L	-1.3453
35	G	L	-0.8350
36	Y	L	-0.0415
37	N	L	0.0200
38	Y	L	0.0000
39	L	L	0.0000
40	D	L	0.0000
41	W	L	0.0000
42	Y	L	0.0000
43	L	L	0.0000
44	Q	L	-0.7176
45	K	L	-1.1050
46	P	L	-0.9877
47	G	L	-1.3444
48	Q	L	-1.8620
49	S	L	-1.1904
50	P	L	0.0000
51	Q	L	-0.8226
52	L	L	0.0000
53	L	L	0.0000
54	I	L	0.0000
55	Y	L	-0.1677
56	L	L	0.0000
57	G	L	0.0000
65	S	L	-0.6237
66	N	L	-0.8932
67	R	L	-1.6039
68	A	L	-0.9230
69	S	L	-0.8137
70	G	L	-0.8792
71	V	L	-0.9306
72	P	L	-1.1901
74	D	L	-2.1628
75	R	L	0.0000
76	F	L	0.0000
77	S	L	-1.1100
78	G	L	-0.7539
79	S	L	-0.7645
80	G	L	-1.0785
83	S	L	-0.7851
84	G	L	-0.6469
85	T	L	-1.3560
86	D	L	-2.0827
87	F	L	0.0000
88	T	L	-1.0044
89	L	L	0.0000
90	K	L	-1.1576
91	I	L	0.0000
92	S	L	-1.6321
93	R	L	-2.1978
94	V	L	0.0000
95	E	L	-1.7998
96	A	L	-1.0512
97	E	L	-1.7127
98	D	L	0.0000
99	V	L	-0.2004
100	G	L	-0.6158
101	V	L	-0.0669
102	Y	L	0.0000
103	Y	L	0.0000
104	C	L	0.0000
105	M	L	0.0000
106	Q	L	0.0000
107	A	L	0.0000
108	L	L	0.3763
109	Q	L	-0.5739
114	T	L	-0.4189
115	P	L	-0.4601
116	Y	L	-0.1426
117	T	L	-0.0242
118	F	L	0.1192
119	G	L	0.0000
120	Q	L	-0.9909
121	G	L	0.0000
122	T	L	0.0000
123	K	L	-0.5983
124	L	L	0.0000
125	E	L	-0.3621
126	I	L	0.0168
127	K	L	-1.4498