Project name: Recaticimab

Chain sequence(s)	H: QVQLVQSGAEVKKPGASVKVSCKASGYTFTDYWMHWVRQAPGQGLEWMGYINPSSGFTKYHQNFKDRVTMTRDTSISTAYMELSRLRSDDTAVYYCARQYDYDEDWYFDVWGQGTTVTVSS; L: DIVMSQSPSSLSASVGDRVTITCKSSQSLLNSRTRKNFLAWYQQKPGKSPKLLIYWASTRESGVPDRFSGSGSGTDFTLTISSLQPEDFATYYCKQSFNLFTFGQGTKLEIK
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]                                                (00:00:01)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:01)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with all chain(s) selected           (00:00:01)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:01)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:01)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:01:19)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:20)

• Minimal score value: -3.4453
• Maximal score value: 1.381
• Average score: -0.6055
• Total score value: -141.0744

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	-1.3116
2	V	H	-0.5774
3	Q	H	-1.1368
4	L	H	0.0000
5	V	H	0.4358
6	Q	H	0.0000
7	S	H	-0.5452
8	G	H	-0.5583
9	A	H	0.0183
11	E	H	0.0667
12	V	H	0.9601
13	K	H	-0.9043
14	K	H	-2.3803
15	P	H	-2.5761
16	G	H	-2.3310
17	A	H	-1.8025
18	S	H	-1.7940
19	V	H	0.0000
20	K	H	-1.8443
21	V	H	0.0000
22	S	H	-0.5880
23	C	H	0.0000
24	K	H	-0.6351
25	A	H	0.0000
26	S	H	-0.5231
27	G	H	-0.8386
28	Y	H	-0.4641
29	T	H	-0.4316
30	F	H	0.0000
35	T	H	-1.0154
36	D	H	-1.3401
37	Y	H	-0.1268
38	W	H	0.4088
39	M	H	0.0000
40	H	H	0.0000
41	W	H	0.0000
42	V	H	0.0000
43	R	H	-0.4599
44	Q	H	-0.7060
45	A	H	-1.0228
46	P	H	-1.0181
47	G	H	-1.2365
48	Q	H	-1.8496
49	G	H	-1.3349
50	L	H	0.0000
51	E	H	-0.8893
52	W	H	0.0000
53	M	H	0.0000
54	G	H	0.0000
55	Y	H	0.2799
56	I	H	0.0000
57	N	H	0.0000
58	P	H	0.0000
59	S	H	-0.5499
62	S	H	-0.0519
63	G	H	0.3687
64	F	H	1.3810
65	T	H	0.4737
66	K	H	-0.6147
67	Y	H	-1.2681
68	H	H	0.0000
69	Q	H	-2.8707
70	N	H	-2.5654
71	F	H	0.0000
72	K	H	-3.4453
74	D	H	-3.2948
75	R	H	-2.2601
76	V	H	0.0000
77	T	H	-1.0109
78	M	H	0.0000
79	T	H	-0.2359
80	R	H	-0.7285
81	D	H	-0.7715
82	T	H	-0.3486
83	S	H	0.2366
84	I	H	0.9929
85	S	H	0.0192
86	T	H	0.0000
87	A	H	0.0000
88	Y	H	-0.7276
89	M	H	0.0000
90	E	H	-1.1811
91	L	H	0.0000
92	S	H	-1.9851
93	R	H	-2.9783
94	L	H	0.0000
95	R	H	-3.3661
96	S	H	-2.2925
97	D	H	-2.3096
98	D	H	0.0000
99	T	H	-0.8345
100	A	H	0.0000
101	V	H	0.0672
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	Q	H	0.0000
108	Y	H	0.4301
109	D	H	-0.1677
110	Y	H	0.1089
111	D	H	-1.4325
112A	E	H	-0.9841
112	D	H	0.0000
113	W	H	0.2904
114	Y	H	0.0000
115	F	H	0.0000
116	D	H	-0.0481
117	V	H	-0.0342
118	W	H	-0.3452
119	G	H	0.0000
120	Q	H	-1.3826
121	G	H	-0.7136
122	T	H	0.0000
123	T	H	0.0363
124	V	H	0.0000
125	T	H	-0.2699
126	V	H	0.0000
127	S	H	-1.2414
128	S	H	-1.0608
1	D	L	-1.8001
2	I	L	0.0000
3	V	L	0.7283
4	M	L	0.0000
5	S	L	-0.6086
6	Q	L	0.0000
7	S	L	-0.6884
8	P	L	-0.7060
9	S	L	-0.9812
10	S	L	-1.2049
11	L	L	-0.6967
12	S	L	-0.8309
13	A	L	0.0000
14	S	L	-0.1267
15	V	L	0.7693
16	G	L	-0.4170
17	D	L	-1.4087
18	R	L	-2.0743
19	V	L	0.0000
20	T	L	-0.5794
21	I	L	0.0000
22	T	L	-0.7058
23	C	L	0.0000
24	K	L	-1.6719
25	S	L	0.0000
26	S	L	-0.8726
27	Q	L	-1.6110
28	S	L	-0.9623
29	L	L	0.0000
30	L	L	-0.7243
31	N	L	0.0000
32	S	L	-1.7377
33	R	L	-2.5085
34	T	L	-1.9934
35	R	L	-2.5355
36	K	L	-1.3357
37	N	L	0.0000
38	F	L	0.0000
39	L	L	0.0000
40	A	L	0.0000
41	W	L	0.0000
42	Y	L	0.0000
43	Q	L	-0.9014
44	Q	L	0.0000
45	K	L	-1.8074
46	P	L	-1.2962
47	G	L	-1.6447
48	K	L	-2.5826
49	S	L	-1.5709
50	P	L	0.0000
51	K	L	-1.2950
52	L	L	0.0000
53	L	L	0.0000
54	I	L	0.0000
55	Y	L	0.0335
56	W	L	-0.0050
57	A	L	0.0000
65	S	L	-0.4710
66	T	L	-0.4510
67	R	L	-1.2205
68	E	L	-0.8192
69	S	L	-0.7000
70	G	L	-0.9056
71	V	L	-0.9840
72	P	L	-1.2692
74	D	L	-2.1560
75	R	L	-1.4832
76	F	L	0.0000
77	S	L	-0.8551
78	G	L	-0.4191
79	S	L	-0.6004
80	G	L	-0.9855
83	S	L	-1.0243
84	G	L	-1.0945
85	T	L	-1.3746
86	D	L	-1.8078
87	F	L	0.0000
88	T	L	-0.6471
89	L	L	0.0000
90	T	L	-0.5900
91	I	L	0.0000
92	S	L	-1.4228
93	S	L	-1.1251
94	L	L	0.0000
95	Q	L	-0.5323
96	P	L	-0.6964
97	E	L	-1.8086
98	D	L	0.0000
99	F	L	-0.6891
100	A	L	0.0000
101	T	L	-1.2394
102	Y	L	0.0000
103	Y	L	0.0000
104	C	L	0.0000
105	K	L	0.0000
106	Q	L	0.0000
107	S	L	0.1034
108	F	L	-0.0688
114	N	L	-1.1857
115	L	L	-0.2081
116	F	L	0.0000
117	T	L	-0.0947
118	F	L	0.0000
119	G	L	0.0000
120	Q	L	-1.3407
121	G	L	0.0000
122	T	L	0.0000
123	K	L	-2.1788
124	L	L	0.0000
125	E	L	-1.2113
126	I	L	0.7470
127	K	L	-0.8729