Project name: Cendakimab

Chain sequence(s)	H: EVTLRESGPGLVKPTQTLTLTCTLYGFSLSTSDMGVDWIRQPPGKGLEWLAHIWWDDVKRYNPALKSRLTISKDTSKNQVVLKLTSVDPVDTATYYCARTVSSGYIYYAMDYWGQGTLVTVSS; L: DIQMTQSPSSLSASVGDRVTISCRASQDIRNYLNWYQQKPGKAPKLLIFYTSKLHSGVPSRFSGSGSGTDYTLTISSLQPEDIATYYCQQGNTLPLTFGGGTKVEIK
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                                          (00:01:08)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:09)

• Minimal score value: -2.8163
• Maximal score value: 1.277
• Average score: -0.5669
• Total score value: -130.385

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	-1.5915
2	V	H	-0.4230
3	T	H	-0.5506
4	L	H	0.0000
5	R	H	-2.1126
6	E	H	0.0000
7	S	H	-0.8132
8	G	H	-0.2942
9	P	H	-0.2186
11	G	H	0.0802
12	L	H	0.1618
13	V	H	0.0000
14	K	H	-1.6690
15	P	H	-1.2579
16	T	H	-1.1970
17	Q	H	-1.5030
18	T	H	-1.1176
19	L	H	0.0000
20	T	H	-0.5761
21	L	H	0.0000
22	T	H	-0.4979
23	C	H	0.0000
24	T	H	-0.9390
25	L	H	0.0000
26	Y	H	0.3597
27	G	H	-0.2642
28	F	H	0.0487
29	S	H	-0.1310
30	L	H	0.0000
31	S	H	-0.8188
34	T	H	-0.5400
35	S	H	-0.8522
36	D	H	-0.9736
37	M	H	-0.4742
38	G	H	0.0000
39	V	H	0.0000
40	D	H	0.0000
41	W	H	0.0000
42	I	H	0.0000
43	R	H	0.0000
44	Q	H	-0.8685
45	P	H	0.0000
46	P	H	-0.9550
47	G	H	-1.4480
48	K	H	-2.2670
49	G	H	-1.4340
50	L	H	0.0000
51	E	H	-1.0567
52	W	H	0.0000
53	L	H	0.0000
54	A	H	0.0000
55	H	H	0.0000
56	I	H	0.0000
57	W	H	-0.8489
58	W	H	-0.9063
59	D	H	-1.9220
63	D	H	-1.5339
64	V	H	-0.6112
65	K	H	-1.1435
66	R	H	-1.3782
67	Y	H	-0.8963
68	N	H	-0.9339
69	P	H	-1.0066
70	A	H	-0.4767
71	L	H	-0.8172
72	K	H	-1.9582
74	S	H	-1.1598
75	R	H	-1.1406
76	L	H	0.0000
77	T	H	-0.9080
78	I	H	0.0000
79	S	H	-0.5481
80	K	H	-1.0255
81	D	H	-1.5743
82	T	H	-1.3677
83	S	H	-1.4619
84	K	H	-2.1751
85	N	H	-1.3723
86	Q	H	-1.3296
87	V	H	0.0000
88	V	H	-0.0742
89	L	H	0.0000
90	K	H	-1.0354
91	L	H	0.0000
92	T	H	-0.9120
93	S	H	-1.1419
94	V	H	0.0000
95	D	H	-1.1001
96	P	H	-0.1802
97	V	H	1.2770
98	D	H	0.0000
99	T	H	0.4200
100	A	H	0.0000
101	T	H	0.1224
102	Y	H	0.0000
103	Y	H	0.0000
104	C	H	0.0000
105	A	H	0.0000
106	R	H	0.0640
107	T	H	0.0000
108	V	H	0.1494
109	S	H	0.0975
110	S	H	0.1104
111	G	H	0.1357
111A	Y	H	1.1522
112A	I	H	0.8091
112	Y	H	0.6733
113	Y	H	0.5047
114	A	H	0.0000
115	M	H	0.0000
116	D	H	-0.1000
117	Y	H	0.0016
118	W	H	0.0000
119	G	H	-1.4181
120	Q	H	-2.0907
121	G	H	0.0000
122	T	H	-0.2993
123	L	H	0.6500
124	V	H	0.0000
125	T	H	0.1335
126	V	H	0.0000
127	S	H	-0.7332
128	S	H	-0.6084
1	D	L	-2.0898
2	I	L	0.0000
3	Q	L	-2.1843
4	M	L	0.0000
5	T	L	-1.3337
6	Q	L	0.0000
7	S	L	-0.6982
8	P	L	-0.6609
9	S	L	-0.8945
10	S	L	-1.1704
11	L	L	-0.8392
12	S	L	-0.8835
13	A	L	-0.9818
14	S	L	-0.7644
15	V	L	0.1284
16	G	L	-0.7636
17	D	L	-1.7481
18	R	L	-2.2335
19	V	L	0.0000
20	T	L	-0.6615
21	I	L	0.0000
22	S	L	-0.8313
23	C	L	0.0000
24	R	L	-2.8163
25	A	L	0.0000
26	S	L	-2.0510
27	Q	L	-2.4062
28	D	L	-2.4711
29	I	L	0.0000
36	R	L	-1.6225
37	N	L	-1.0532
38	Y	L	0.0000
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	-1.2037
45	K	L	-1.6591
46	P	L	-1.1371
47	G	L	-1.6917
48	K	L	-2.5798
49	A	L	-1.6044
50	P	L	0.0000
51	K	L	-1.1538
52	L	L	0.0000
53	L	L	0.0000
54	I	L	0.0000
55	F	L	0.2288
56	Y	L	0.0692
57	T	L	0.0000
65	S	L	-0.4995
66	K	L	-0.6847
67	L	L	-0.0213
68	H	L	-0.3922
69	S	L	-0.4714
70	G	L	-0.4828
71	V	L	-0.2512
72	P	L	-0.2971
74	S	L	-0.3322
75	R	L	-0.7301
76	F	L	0.0000
77	S	L	-0.3860
78	G	L	0.0000
79	S	L	-0.6418
80	G	L	-1.0594
83	S	L	-1.3548
84	G	L	-1.8043
85	T	L	-2.1357
86	D	L	-2.1221
87	Y	L	0.0000
88	T	L	-0.7036
89	L	L	0.0000
90	T	L	-0.5890
91	I	L	0.0000
92	S	L	-1.2961
93	S	L	-1.1856
94	L	L	0.0000
95	Q	L	-0.7914
96	P	L	-1.0314
97	E	L	-1.7450
98	D	L	0.0000
99	I	L	-0.4128
100	A	L	0.0000
101	T	L	-1.0051
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	G	L	0.0000
108	N	L	-0.5091
109	T	L	-0.1509
114	L	L	-0.0230
115	P	L	0.0000
116	L	L	0.0000
117	T	L	-0.7192
118	F	L	0.0000
119	G	L	0.0000
120	G	L	-1.2716
121	G	L	0.0000
122	T	L	0.0000
123	K	L	-1.9587
124	V	L	0.0000
125	E	L	-1.3287
126	I	L	-0.6988
127	K	L	-1.4537