Project name: Tildrakizumab

Chain sequence(s)	H: QVQLVQSGAEVKKPGASVKVSCKASGYIFITYWMTWVRQAPGQGLEWMGQIFPASGSADYNEKFEGRVTMTTDTSTSTAYMELRSLRSDDTAVYYCARGGGGFAYWGQGTLVTVSS; L: DIQMTQSPSSLSASVGDRVTITCRTSENIYSYLAWYQQKPGKAPKLLIYNAKTLAEGVPSRFSGSGSGTDFTLTISSLQPEDFATYYCQHHYGIPFTFGQGTKVEIK
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                                          (00:02:05)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:07)

• Minimal score value: -3.399
• Maximal score value: 2.3479
• Average score: -0.5083
• Total score value: -113.3598

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	-1.5622
2	V	H	-0.8749
3	Q	H	-1.3592
4	L	H	0.0000
5	V	H	0.6969
6	Q	H	0.0000
7	S	H	-0.3792
8	G	H	-0.3928
9	A	H	0.2913
11	E	H	0.1174
12	V	H	1.0295
13	K	H	-0.9433
14	K	H	-2.2057
15	P	H	-2.3452
16	G	H	-1.7601
17	A	H	-1.4089
18	S	H	-1.4917
19	V	H	0.0000
20	K	H	-1.7879
21	V	H	0.0000
22	S	H	-0.4170
23	C	H	0.0000
24	K	H	-0.8198
25	A	H	0.0000
26	S	H	-0.5965
27	G	H	-0.7089
28	Y	H	0.7382
29	I	H	2.3479
30	F	H	0.0000
35	I	H	1.6856
36	T	H	1.4387
37	Y	H	1.5050
38	W	H	0.9755
39	M	H	0.0000
40	T	H	0.0000
41	W	H	0.0000
42	V	H	0.0000
43	R	H	0.0000
44	Q	H	-0.4626
45	A	H	-0.8494
46	P	H	-0.9428
47	G	H	-1.2436
48	Q	H	-1.8442
49	G	H	-1.3536
50	L	H	0.0000
51	E	H	-0.6967
52	W	H	0.0000
53	M	H	0.0000
54	G	H	0.0000
55	Q	H	0.0000
56	I	H	0.0000
57	F	H	0.7814
58	P	H	0.0000
59	A	H	0.6215
62	S	H	-0.1729
63	G	H	-0.4468
64	S	H	-0.2651
65	A	H	-0.0972
66	D	H	-0.3362
67	Y	H	-1.0258
68	N	H	-1.9129
69	E	H	-3.3990
70	K	H	-3.1781
71	F	H	0.0000
72	E	H	-3.2372
74	G	H	-2.0306
75	R	H	-1.6313
76	V	H	0.0000
77	T	H	-0.7858
78	M	H	0.0000
79	T	H	-0.1293
80	T	H	-0.2759
81	D	H	-0.5787
82	T	H	-0.2824
83	S	H	-0.4046
84	T	H	-0.5341
85	S	H	-0.2178
86	T	H	0.0000
87	A	H	0.0000
88	Y	H	-0.4298
89	M	H	0.0000
90	E	H	-1.1215
91	L	H	0.0000
92	R	H	-1.5478
93	S	H	-1.5187
94	L	H	0.0000
95	R	H	-3.1422
96	S	H	-2.3340
97	D	H	-2.4039
98	D	H	0.0000
99	T	H	-0.6870
100	A	H	0.0000
101	V	H	0.5568
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	G	H	0.0000
108	G	H	-0.0502
109	G	H	-0.1575
114	G	H	0.0000
115	F	H	0.0000
116	A	H	-0.3250
117	Y	H	-0.1765
118	W	H	-0.2991
119	G	H	0.0000
120	Q	H	-1.2024
121	G	H	-0.4325
122	T	H	0.0000
123	L	H	0.9312
124	V	H	0.0000
125	T	H	-0.1077
126	V	H	0.0000
127	S	H	-1.2401
128	S	H	-0.8611
1	D	L	-2.1090
2	I	L	-1.3480
3	Q	L	-2.2076
4	M	L	0.0000
5	T	L	-1.4801
6	Q	L	0.0000
7	S	L	-0.8942
8	P	L	-0.5488
9	S	L	-0.9156
10	S	L	-1.1716
11	L	L	-0.7954
12	S	L	-0.9830
13	A	L	0.0000
14	S	L	-0.1956
15	V	L	0.7171
16	G	L	-0.4270
17	D	L	-1.4164
18	R	L	-2.0723
19	V	L	0.0000
20	T	L	-0.5875
21	I	L	0.0000
22	T	L	-0.8025
23	C	L	0.0000
24	R	L	-2.7411
25	T	L	0.0000
26	S	L	-1.9105
27	E	L	-1.8761
28	N	L	-1.0340
29	I	L	0.0000
36	Y	L	0.8451
37	S	L	0.2642
38	Y	L	0.6461
39	L	L	0.0000
40	A	L	0.0000
41	W	L	0.0000
42	Y	L	0.0000
43	Q	L	-0.8056
44	Q	L	0.0000
45	K	L	-1.6888
46	P	L	-1.2936
47	G	L	-1.6396
48	K	L	-2.5105
49	A	L	-1.4855
50	P	L	0.0000
51	K	L	-1.0288
52	L	L	0.0000
53	L	L	0.0000
54	I	L	0.0000
55	Y	L	-0.1417
56	N	L	-0.2974
57	A	L	0.0000
65	K	L	-1.1866
66	T	L	-0.6330
67	L	L	-0.2457
68	A	L	-0.8901
69	E	L	-1.8726
70	G	L	-1.2107
71	V	L	-0.6559
72	P	L	-0.4831
74	S	L	-0.3606
75	R	L	-0.7370
76	F	L	0.0000
77	S	L	-0.5136
78	G	L	-0.7026
79	S	L	-0.9561
80	G	L	-0.9532
83	S	L	-0.6278
84	G	L	-0.6835
85	T	L	-1.5177
86	D	L	-1.8758
87	F	L	0.0000
88	T	L	-0.8224
89	L	L	0.0000
90	T	L	-0.5901
91	I	L	0.0000
92	S	L	-1.1960
93	S	L	-0.9874
94	L	L	0.0000
95	Q	L	-0.5291
96	P	L	-0.6155
97	E	L	-1.8853
98	D	L	0.0000
99	F	L	-0.6798
100	A	L	0.0000
101	T	L	-1.1575
102	Y	L	0.0000
103	Y	L	0.0000
104	C	L	0.0000
105	Q	L	0.0000
106	H	L	0.0000
107	H	L	0.3956
108	Y	L	0.9079
109	G	L	0.6861
114	I	L	1.0145
115	P	L	0.0000
116	F	L	0.0000
117	T	L	-0.4696
118	F	L	0.0000
119	G	L	0.0000
120	Q	L	-1.7871
121	G	L	0.0000
122	T	L	0.0000
123	K	L	-1.7785
124	V	L	0.0000
125	E	L	-1.5394
126	I	L	0.4136
127	K	L	-0.9909