Project name: Demupitamab

Chain sequence(s)	H: QVQLQESGPGLVKPSETLSLTCTVSGGSVSSGDYYWTWIRQSPGKGLEWIGHIYYSGNTNYNPSLKSRLTISIDTSKTQFSLKLSSVTAADTAIYYCVRDRVTGAFDIWGQGTMVTVSS; L: DIQMTQSPSTLSASVGDRVTITCQASQDISNYLNWYQQKPGKAPKLLIYDASNLETGVPSRFSGSGSGTDFTFTISSLQPEDIATYFCQHFDHLPLAFGGGTKVEIK
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                                          (00:01:07)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:08)

• Minimal score value: -2.6533
• Maximal score value: 0.6897
• Average score: -0.5977
• Total score value: -135.0891

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	-1.7111
2	V	H	0.0000
3	Q	H	-2.0556
4	L	H	0.0000
5	Q	H	-1.8938
6	E	H	0.0000
7	S	H	-0.8737
8	G	H	-0.5494
9	P	H	-0.2184
11	G	H	0.0855
12	L	H	0.4858
13	V	H	0.0000
14	K	H	-1.4913
15	P	H	-1.1346
16	S	H	-1.1531
17	E	H	-1.5279
18	T	H	-1.1897
19	L	H	0.0000
20	S	H	-0.9080
21	L	H	0.0000
22	T	H	-0.6347
23	C	H	0.0000
24	T	H	-1.1667
25	V	H	0.0000
26	S	H	-1.5400
27	G	H	-1.4625
28	G	H	-1.2021
29	S	H	-0.9118
30	V	H	0.0000
31	S	H	-0.3635
34	S	H	-0.5652
35	G	H	-0.7409
36	D	H	-1.4006
37	Y	H	-0.2749
38	Y	H	0.1603
39	W	H	0.0000
40	T	H	0.0000
41	W	H	0.0000
42	I	H	0.0000
43	R	H	0.0000
44	Q	H	-0.3620
45	S	H	-0.6150
46	P	H	-0.9165
47	G	H	-1.1844
48	K	H	-1.6185
49	G	H	-1.1935
50	L	H	0.0000
51	E	H	-0.6166
52	W	H	0.0000
53	I	H	0.0000
54	G	H	0.0000
55	H	H	0.0000
56	I	H	0.0000
57	Y	H	-0.0372
58	Y	H	0.1644
59	S	H	-0.3419
63	G	H	-0.7768
64	N	H	-1.3419
65	T	H	-0.7512
66	N	H	-0.7293
67	Y	H	-0.5292
68	N	H	-0.7581
69	P	H	-0.9802
70	S	H	-0.8437
71	L	H	0.0000
72	K	H	-2.0578
74	S	H	-1.2879
75	R	H	-1.3059
76	L	H	0.0000
77	T	H	-0.9683
78	I	H	0.0000
79	S	H	-0.4220
80	I	H	-0.3919
81	D	H	-1.1631
82	T	H	-0.9537
83	S	H	-1.3054
84	K	H	-2.1093
85	T	H	-1.3290
86	Q	H	-1.2489
87	F	H	0.0000
88	S	H	-0.5266
89	L	H	0.0000
90	K	H	-1.3985
91	L	H	0.0000
92	S	H	-0.9896
93	S	H	-0.9118
94	V	H	0.0000
95	T	H	-0.4928
96	A	H	-0.1933
97	A	H	-0.1652
98	D	H	0.0000
99	T	H	0.2034
100	A	H	0.0000
101	I	H	0.6329
102	Y	H	0.0000
103	Y	H	0.0000
104	C	H	0.0000
105	V	H	0.0000
106	R	H	0.0000
107	D	H	0.0000
108	R	H	-0.2889
109	V	H	0.1267
110	T	H	0.0234
113	G	H	0.0000
114	A	H	0.0000
115	F	H	0.0000
116	D	H	-0.2734
117	I	H	-0.3900
118	W	H	-0.6638
119	G	H	0.0000
120	Q	H	-1.9496
121	G	H	-0.8518
122	T	H	-0.1858
123	M	H	0.6897
124	V	H	0.0000
125	T	H	0.2212
126	V	H	0.0000
127	S	H	-0.4644
128	S	H	-0.6041
1	D	L	-2.2136
2	I	L	0.0000
3	Q	L	-2.0281
4	M	L	0.0000
5	T	L	-1.1703
6	Q	L	-0.8221
7	S	L	-0.6489
8	P	L	-0.4665
9	S	L	-0.6889
10	T	L	-0.8780
11	L	L	-0.7770
12	S	L	-1.0870
13	A	L	0.0000
14	S	L	-0.7879
15	V	L	0.0292
16	G	L	-0.6159
17	D	L	-1.6662
18	R	L	-2.3079
19	V	L	0.0000
20	T	L	-0.6114
21	I	L	0.0000
22	T	L	-0.7672
23	C	L	0.0000
24	Q	L	-2.2661
25	A	L	0.0000
26	S	L	-1.9530
27	Q	L	-2.4058
28	D	L	-2.6443
29	I	L	0.0000
36	S	L	-1.1793
37	N	L	-0.9395
38	Y	L	-0.0758
39	L	L	0.0000
40	N	L	0.0000
41	W	L	0.0000
42	Y	L	0.0000
43	Q	L	0.0000
44	Q	L	-1.2425
45	K	L	-1.7161
46	P	L	-1.1820
47	G	L	-1.7044
48	K	L	-2.5947
49	A	L	-1.5497
50	P	L	0.0000
51	K	L	-1.2047
52	L	L	0.0000
53	L	L	0.0000
54	I	L	0.0000
55	Y	L	-0.1348
56	D	L	-0.4849
57	A	L	0.0000
65	S	L	-0.7096
66	N	L	-0.7599
67	L	L	0.0226
68	E	L	-0.3490
69	T	L	-0.3062
70	G	L	-0.4154
71	V	L	-0.2274
72	P	L	-0.2992
74	S	L	-0.4012
75	R	L	-0.8386
76	F	L	0.0000
77	S	L	-0.4392
78	G	L	-0.4160
79	S	L	-0.9077
80	G	L	-1.2626
83	S	L	-1.4388
84	G	L	-1.7483
85	T	L	-2.2498
86	D	L	-2.6533
87	F	L	0.0000
88	T	L	-0.7565
89	F	L	0.0000
90	T	L	0.0000
91	I	L	0.0000
92	S	L	-1.4092
93	S	L	-1.1606
94	L	L	0.0000
95	Q	L	-0.8436
96	P	L	-1.0379
97	E	L	-1.8026
98	D	L	0.0000
99	I	L	-0.6000
100	A	L	0.0000
101	T	L	-0.8361
102	Y	L	0.0000
103	F	L	0.0000
104	C	L	0.0000
105	Q	L	0.0000
106	H	L	0.0000
107	F	L	0.2032
108	D	L	-0.8177
109	H	L	-0.7682
114	L	L	0.2199
115	P	L	-0.1868
116	L	L	0.0000
117	A	L	-0.6105
118	F	L	0.0000
119	G	L	0.0000
120	G	L	-1.0340
121	G	L	-0.7143
122	T	L	0.0000
123	K	L	-1.4765
124	V	L	0.0000
125	E	L	-1.9318
126	I	L	-0.9802
127	K	L	-1.6958