Project name: Ispectamab

Chain sequence(s)	H: EVQLVESGGGLVQPGGSLRLSCAASGFNISAPGIHWVRQAPGKGLEWVGFINPAGGYTDYADSVKGRFTISADTSKNTAYLQMNSLRAEDTAVYYCARDYIRQYWTYVLDYWGQGTLVTVSS; L: DIQMTQSPSSLSASVGDRVTITCRASQDVNTAVAWYQQKPGKAPKLLIYSASFLYSGVPSRFSGSRSGTDFTLTISSLQPEDFATYYCQQHYTTPPTFGQGTKVEIK
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.                                          (00:01:02)

• Minimal score value: -2.8697
• Maximal score value: 2.2628
• Average score: -0.51
• Total score value: -116.801

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	-2.0596
2	V	H	-1.2872
3	Q	H	-1.1869
4	L	H	0.0000
5	V	H	0.3571
6	E	H	0.0000
7	S	H	-0.3042
8	G	H	-0.6083
9	G	H	0.2278
11	G	H	0.7231
12	L	H	1.4341
13	V	H	0.0125
14	Q	H	-1.3102
15	P	H	-1.6025
16	G	H	-1.4089
17	G	H	-0.9754
18	S	H	-1.0824
19	L	H	-0.6732
20	R	H	-1.4750
21	L	H	0.0000
22	S	H	-0.3203
23	C	H	0.0000
24	A	H	-0.2244
25	A	H	0.0000
26	S	H	-0.9682
27	G	H	-1.3722
28	F	H	-1.0084
29	N	H	-1.5191
30	I	H	0.0000
35	S	H	-0.6987
36	A	H	-0.3060
37	P	H	-0.0266
38	G	H	0.0000
39	I	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	-0.6078
45	A	H	-1.0129
46	P	H	-0.7995
47	G	H	-1.4857
48	K	H	-2.3675
49	G	H	-1.6104
50	L	H	0.0000
51	E	H	-0.9977
52	W	H	0.0000
53	V	H	0.0000
54	G	H	0.0000
55	F	H	0.0000
56	I	H	0.0000
57	N	H	-0.0826
58	P	H	-0.4361
59	A	H	-0.2055
62	G	H	-0.3752
63	G	H	-0.1974
64	Y	H	0.7738
65	T	H	0.2124
66	D	H	-0.4733
67	Y	H	-0.9902
68	A	H	-1.6191
69	D	H	-2.4483
70	S	H	-1.6685
71	V	H	0.0000
72	K	H	-2.4527
74	G	H	-1.6125
75	R	H	-1.3726
76	F	H	0.0000
77	T	H	-0.8028
78	I	H	0.0000
79	S	H	-0.1597
80	A	H	-0.5691
81	D	H	-0.9861
82	T	H	-1.1828
83	S	H	-1.3548
84	K	H	-2.1523
85	N	H	-1.5190
86	T	H	-0.8521
87	A	H	0.0000
88	Y	H	-0.3389
89	L	H	0.0000
90	Q	H	-1.0002
91	M	H	0.0000
92	N	H	-1.2204
93	S	H	-1.1874
94	L	H	0.0000
95	R	H	-2.2427
96	A	H	-1.6883
97	E	H	-2.2286
98	D	H	0.0000
99	T	H	-0.3244
100	A	H	0.0000
101	V	H	0.8195
102	Y	H	0.0000
103	Y	H	0.0000
104	C	H	0.0000
105	A	H	0.0000
106	R	H	0.2584
107	D	H	0.0000
108	Y	H	0.7879
109	I	H	0.5755
110	R	H	-1.0210
111	Q	H	-0.7437
111A	Y	H	1.0829
112A	W	H	1.8305
112	T	H	0.9463
113	Y	H	1.0950
114	V	H	0.0000
115	L	H	0.0000
116	D	H	0.0000
117	Y	H	-0.0652
118	W	H	-0.5291
119	G	H	0.0000
120	Q	H	-1.4853
121	G	H	-0.3770
122	T	H	0.5163
123	L	H	1.7013
124	V	H	0.0000
125	T	H	0.3877
126	V	H	0.0000
127	S	H	-0.7293
128	S	H	-0.5544
1	D	L	-2.2748
2	I	L	0.0000
3	Q	L	-2.3242
4	M	L	0.0000
5	T	L	-1.3939
6	Q	L	0.0000
7	S	L	-0.8391
8	P	L	-0.5859
9	S	L	-0.8080
10	S	L	-0.9229
11	L	L	-0.7361
12	S	L	-1.0723
13	A	L	0.0000
14	S	L	-0.6005
15	V	L	0.3932
16	G	L	-0.5658
17	D	L	-1.4086
18	R	L	-2.1554
19	V	L	0.0000
20	T	L	-0.6097
21	I	L	0.0000
22	T	L	-0.7459
23	C	L	0.0000
24	R	L	-2.8062
25	A	L	0.0000
26	S	L	-2.2042
27	Q	L	-2.8697
28	D	L	-2.5962
29	V	L	0.0000
36	N	L	-1.8648
37	T	L	-0.7948
38	A	L	0.1057
39	V	L	0.0000
40	A	L	0.0000
41	W	L	0.0000
42	Y	L	0.0000
43	Q	L	-0.9961
44	Q	L	0.0000
45	K	L	-1.7805
46	P	L	-1.2474
47	G	L	-1.6655
48	K	L	-2.7191
49	A	L	-1.7634
50	P	L	0.0000
51	K	L	-1.9089
52	L	L	0.0000
53	L	L	0.0000
54	I	L	0.0000
55	Y	L	1.2277
56	S	L	0.6223
57	A	L	0.0000
65	S	L	0.7662
66	F	L	2.2628
67	L	L	1.4716
68	Y	L	0.6269
69	S	L	0.0148
70	G	L	-0.4873
71	V	L	0.0000
72	P	L	-0.3720
74	S	L	-0.4185
75	R	L	-0.7967
76	F	L	0.0000
77	S	L	0.0512
78	G	L	0.1339
79	S	L	-0.5510
80	R	L	-1.6249
83	S	L	-1.3355
84	G	L	-1.7634
85	T	L	-2.2026
86	D	L	-1.9742
87	F	L	0.0000
88	T	L	-0.7556
89	L	L	0.0000
90	T	L	-0.6489
91	I	L	0.0000
92	S	L	-1.4088
93	S	L	-1.0768
94	L	L	0.0000
95	Q	L	-0.5556
96	P	L	-0.9241
97	E	L	-1.6078
98	D	L	0.0000
99	F	L	-0.4299
100	A	L	0.0000
101	T	L	-0.8552
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	H	L	0.0000
108	Y	L	0.8395
109	T	L	0.2739
114	T	L	-0.2595
115	P	L	-0.6971
116	P	L	0.0000
117	T	L	-0.6866
118	F	L	-0.4543
119	G	L	0.0000
120	Q	L	-1.6371
121	G	L	0.0000
122	T	L	0.0000
123	K	L	-1.3071
124	V	L	0.0000
125	E	L	-1.4397
126	I	L	-0.7308
127	K	L	-1.5241