Project name: Afimkibart

Chain sequence(s)	H: QVQLVQSGAEVKKPGASVKVSCKASGYDFTYYGISWVRQAPGQGLEWMGWISTYNGNTHYARMLQGRVTMTTDTSTRTAYMELRSLRSDDTAVYYCARENYYGSGAYRGGMDVWGQGTTVTVSS; L: EIVLTQSPATLSLSPGERATLSCRASQSVSSYLAWYQQKPGQAPRLLIYDASNRATGIPARFSGSGSGTDFTLTISSLEPEDFAVYYCQQRSNWPWTFGQGTKVEIK
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                                          (00:01:17)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:18)

• Minimal score value: -2.8687
• Maximal score value: 1.5144
• Average score: -0.4984
• Total score value: -115.1241

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	-1.2588
2	V	H	-0.6359
3	Q	H	-0.7682
4	L	H	0.0000
5	V	H	0.4648
6	Q	H	0.0000
7	S	H	-0.5256
8	G	H	-0.6032
9	A	H	-0.0214
11	E	H	-0.1382
12	V	H	0.9415
13	K	H	-0.8624
14	K	H	-2.1067
15	P	H	-2.2015
16	G	H	-1.6438
17	A	H	-1.3376
18	S	H	-1.4927
19	V	H	0.0000
20	K	H	-1.9110
21	V	H	0.0000
22	S	H	-0.3705
23	C	H	0.0000
24	K	H	-0.7056
25	A	H	0.0000
26	S	H	-0.8563
27	G	H	-1.0034
28	Y	H	-0.5873
29	D	H	-0.7079
30	F	H	0.0000
35	T	H	0.4941
36	Y	H	1.5144
37	Y	H	1.1325
38	G	H	0.0000
39	I	H	0.0000
40	S	H	0.0000
41	W	H	0.0000
42	V	H	0.0000
43	R	H	-0.4246
44	Q	H	-0.6770
45	A	H	-1.0261
46	P	H	-1.0191
47	G	H	-1.2147
48	Q	H	-1.8875
49	G	H	-1.3256
50	L	H	0.0000
51	E	H	-0.8089
52	W	H	0.0000
53	M	H	0.0000
54	G	H	0.0000
55	W	H	0.0000
56	I	H	0.0000
57	S	H	0.0000
58	T	H	0.0000
59	Y	H	0.7163
62	N	H	-1.2270
63	G	H	-1.3598
64	N	H	-1.7332
65	T	H	-0.9478
66	H	H	-0.5080
67	Y	H	-0.1793
68	A	H	0.0000
69	R	H	-1.7867
70	M	H	-0.2197
71	L	H	0.0000
72	Q	H	-1.6044
74	G	H	-1.3039
75	R	H	-0.9962
76	V	H	0.0000
77	T	H	-0.4829
78	M	H	0.0000
79	T	H	-0.2947
80	T	H	-0.4452
81	D	H	-0.7706
82	T	H	-0.7463
83	S	H	-0.5989
84	T	H	-0.7709
85	R	H	-1.3383
86	T	H	0.0000
87	A	H	0.0000
88	Y	H	-0.2489
89	M	H	0.0000
90	E	H	-1.1269
91	L	H	0.0000
92	R	H	-1.5827
93	S	H	-1.3724
94	L	H	0.0000
95	R	H	-2.8687
96	S	H	-2.2566
97	D	H	-2.4512
98	D	H	0.0000
99	T	H	-0.8504
100	A	H	0.0000
101	V	H	0.1532
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	E	H	0.0000
108	N	H	0.3802
109	Y	H	0.6863
110	Y	H	0.1208
111	G	H	-0.4004
111A	S	H	-0.4498
111B	G	H	-0.3809
112B	A	H	0.0766
112A	Y	H	0.6964
112	R	H	0.0923
113	G	H	0.0000
114	G	H	0.0000
115	M	H	0.0000
116	D	H	-0.2488
117	V	H	-0.2095
118	W	H	0.0000
119	G	H	0.0000
120	Q	H	-1.2816
121	G	H	-0.6543
122	T	H	0.0000
123	T	H	0.0196
124	V	H	0.0000
125	T	H	-0.2790
126	V	H	0.0000
127	S	H	-1.2066
128	S	H	-1.1802
1	E	L	-1.8842
2	I	L	0.0000
3	V	L	0.6433
4	L	L	0.0000
5	T	L	-0.6798
6	Q	L	0.0000
7	S	L	-0.7705
8	P	L	-0.3559
9	A	L	-0.4720
10	T	L	-0.4682
11	L	L	-0.1556
12	S	L	-0.2636
13	L	L	-0.4932
14	S	L	-0.8384
15	P	L	-1.1367
16	G	L	-1.5690
17	E	L	-2.0059
18	R	L	-2.4031
19	A	L	0.0000
20	T	L	-0.6394
21	L	L	0.0000
22	S	L	-0.7933
23	C	L	0.0000
24	R	L	-2.2494
25	A	L	0.0000
26	S	L	-0.9912
27	Q	L	-1.6389
28	S	L	-1.2147
29	V	L	0.0000
36	S	L	-0.4179
37	S	L	-0.1841
38	Y	L	0.3260
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	-1.2457
46	P	L	-0.9951
47	G	L	-1.3791
48	Q	L	-2.0018
49	A	L	-1.2215
50	P	L	0.0000
51	R	L	-0.8951
52	L	L	0.0000
53	L	L	0.0000
54	I	L	0.0000
55	Y	L	-0.3948
56	D	L	0.0000
57	A	L	0.0000
65	S	L	-0.8524
66	N	L	-1.2537
67	R	L	-1.4642
68	A	L	0.0000
69	T	L	-0.6661
70	G	L	-0.6662
71	I	L	0.0000
72	P	L	-0.4258
74	A	L	-0.3588
75	R	L	-0.7400
76	F	L	0.0000
77	S	L	-0.6973
78	G	L	-0.6773
79	S	L	-0.7104
80	G	L	-0.9963
83	S	L	-0.8737
84	G	L	-1.0437
85	T	L	-1.6647
86	D	L	-1.9528
87	F	L	0.0000
88	T	L	-0.7261
89	L	L	0.0000
90	T	L	-0.6090
91	I	L	0.0000
92	S	L	-1.2468
93	S	L	-1.5584
94	L	L	0.0000
95	E	L	-1.5515
96	P	L	-0.8465
97	E	L	-1.2988
98	D	L	0.0000
99	F	L	-0.0836
100	A	L	0.0000
101	V	L	-0.2799
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	R	L	-0.2317
108	S	L	-0.5001
109	N	L	-1.4037
114	W	L	-0.7829
115	P	L	-0.8905
116	W	L	0.0000
117	T	L	-0.2189
118	F	L	0.0475
119	G	L	0.0000
120	Q	L	-1.2148
121	G	L	0.0000
122	T	L	0.0000
123	K	L	-1.0904
124	V	L	0.0000
125	E	L	-0.0089
126	I	L	1.0092
127	K	L	-0.8109