Project name: Guselkumab

Chain sequence(s)	H: EVQLVQSGAEVKKPGESLKISCKGSGYSFSNYWIGWVRQMPGKGLEWMGIIDPSNSYTRYSPSFQGQVTISADKSISTAYLQWSSLKASDTAMYYCARWYYKPFDVWGQGTLVTVSS; L: QSVLTQPPSVSGAPGQRVTISCTGSSSNIGSGYDVHWYQQLPGTAPKLLIYGNSKRPSGVPDRFSGSKSGTSASLAITGLQSEDEADYYCASWTDGLSLVVFGGGTKLTVL
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                                          (00:00:49)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:50)

• Minimal score value: -2.5563
• Maximal score value: 1.2896
• Average score: -0.4958
• Total score value: -113.0428

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	-1.9003
2	V	H	-0.7871
3	Q	H	-1.3118
4	L	H	0.0000
5	V	H	0.1236
6	Q	H	0.0000
7	S	H	-0.4554
8	G	H	-0.5188
9	A	H	0.1645
11	E	H	0.2848
12	V	H	1.1147
13	K	H	-0.7854
14	K	H	-2.1336
15	P	H	-1.8934
16	G	H	-1.7284
17	E	H	-1.9575
18	S	H	-1.4298
19	L	H	0.0000
20	K	H	-1.2951
21	I	H	0.0000
22	S	H	-0.3980
23	C	H	0.0000
24	K	H	-0.6996
25	G	H	0.0000
26	S	H	-0.6824
27	G	H	-1.0684
28	Y	H	-0.6126
29	S	H	-0.6863
30	F	H	0.0000
35	S	H	-1.4422
36	N	H	-1.1161
37	Y	H	0.1014
38	W	H	0.5079
39	I	H	0.0000
40	G	H	0.0000
41	W	H	0.0000
42	V	H	0.0000
43	R	H	0.0000
44	Q	H	-0.5609
45	M	H	-0.5280
46	P	H	-0.7919
47	G	H	-1.3396
48	K	H	-2.0939
49	G	H	-1.3302
50	L	H	0.0000
51	E	H	-0.7693
52	W	H	0.0000
53	M	H	0.0000
54	G	H	0.0000
55	I	H	0.0000
56	I	H	0.0000
57	D	H	-0.5370
58	P	H	0.0000
59	S	H	-1.3220
62	N	H	-1.4013
63	S	H	-0.6835
64	Y	H	0.5811
65	T	H	0.1237
66	R	H	-0.3775
67	Y	H	-0.6983
68	S	H	0.0000
69	P	H	-0.9315
70	S	H	-1.0336
71	F	H	0.0000
72	Q	H	-1.9362
74	G	H	-1.6522
75	Q	H	-1.9296
76	V	H	0.0000
77	T	H	-0.8550
78	I	H	0.0000
79	S	H	-0.3659
80	A	H	-0.7517
81	D	H	-1.3208
82	K	H	-1.9807
83	S	H	-0.4411
84	I	H	0.6708
85	S	H	-0.4959
86	T	H	0.0000
87	A	H	0.0000
88	Y	H	-0.3989
89	L	H	0.0000
90	Q	H	-1.0980
91	W	H	0.0000
92	S	H	-1.0351
93	S	H	-1.3747
94	L	H	0.0000
95	K	H	-1.3447
96	A	H	-0.8579
97	S	H	-0.4036
98	D	H	0.0000
99	T	H	0.0707
100	A	H	0.0000
101	M	H	0.2848
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	W	H	0.5003
108	Y	H	1.0013
109	Y	H	1.1428
113	K	H	-0.4109
114	P	H	0.0000
115	F	H	0.0000
116	D	H	-0.1635
117	V	H	-0.1370
118	W	H	-0.2737
119	G	H	0.0000
120	Q	H	-0.9973
121	G	H	0.0000
122	T	H	0.0000
123	L	H	0.5550
124	V	H	0.0000
125	T	H	0.2868
126	V	H	0.0000
127	S	H	-0.7224
128	S	H	-1.0290
1	Q	L	-1.1650
2	S	L	-0.5871
3	V	L	0.2659
4	L	L	0.0000
5	T	L	-0.1592
6	Q	L	-0.4283
7	P	L	-0.4813
8	P	L	-0.6941
9	S	L	-0.6065
11	V	L	-0.1607
12	S	L	-0.1580
13	G	L	0.0000
14	A	L	-0.2605
15	P	L	-0.9577
16	G	L	-1.7234
17	Q	L	-2.2709
18	R	L	-2.5563
19	V	L	-1.0730
20	T	L	-0.4084
21	I	L	0.0000
22	S	L	-0.2806
23	C	L	0.0000
24	T	L	-0.2427
25	G	L	-0.1706
26	S	L	-0.2772
27	S	L	-0.5863
28	S	L	-0.5405
29	N	L	0.0000
30	I	L	0.0000
31	G	L	-0.8737
35	S	L	-0.7385
36	G	L	-0.6072
37	Y	L	-0.3609
38	D	L	-0.5101
39	V	L	0.0000
40	H	L	0.0000
41	W	L	0.0000
42	Y	L	0.0000
43	Q	L	0.0000
44	Q	L	-0.6502
45	L	L	-0.5737
46	P	L	-0.4971
47	G	L	-0.5245
48	T	L	-0.5956
49	A	L	-0.6159
50	P	L	0.0000
51	K	L	-0.9866
52	L	L	0.0000
53	L	L	0.0000
54	I	L	0.0000
55	Y	L	-0.6318
56	G	L	-0.8083
57	N	L	-0.9163
65	S	L	-1.2944
66	K	L	-2.0917
67	R	L	-2.0083
68	P	L	-1.0157
69	S	L	-0.8201
70	G	L	-0.8613
71	V	L	-1.0542
72	P	L	-1.3051
74	D	L	-2.1516
75	R	L	-1.4688
76	F	L	0.0000
77	S	L	-1.1187
78	G	L	0.0000
79	S	L	-0.8331
80	K	L	-1.0165
83	S	L	-0.8096
84	G	L	-0.9351
85	T	L	-0.7552
86	S	L	-0.6214
87	A	L	0.0000
88	S	L	-0.4198
89	L	L	0.0000
90	A	L	-0.5054
91	I	L	0.0000
92	T	L	-1.7808
93	G	L	-1.7170
94	L	L	0.0000
95	Q	L	-1.6051
96	S	L	-1.3847
97	E	L	-2.2604
98	D	L	0.0000
99	E	L	-1.4580
100	A	L	0.0000
101	D	L	-0.9247
102	Y	L	0.0000
103	Y	L	0.0000
104	C	L	0.0000
105	A	L	0.0000
106	S	L	0.0000
107	W	L	-0.2289
108	T	L	0.0000
109	D	L	-1.2356
110	G	L	-0.7542
113	L	L	-0.0068
114	S	L	-0.4453
115	L	L	0.0000
116	V	L	0.0000
117	V	L	0.0000
118	F	L	0.0000
119	G	L	0.0000
120	G	L	-1.0764
121	G	L	0.0000
122	T	L	0.0000
123	K	L	-1.2184
124	L	L	0.0000
125	T	L	-0.0048
126	V	L	0.0298
127	L	L	1.2896