Project name: Ersodetug

Chain sequence(s)	H: EVQLVETGGGVVQPGRSLRLSCAASGFTFSSYAMHWVRQAPGKGLEWYAVISYDGSNKYYADSVKGRFTISRDNSKNTLYLQMNSLRAEDTAVYYCARHEWGFGMDVWGQGTTVTVSS; L: DVVMTQSPLSLSVTLGQPASISCRSSLSLVYGDENTYLNWFQQRPGQSPRRLLYKVSDRDSGVPDRFSGSGSGTDFTLKISRVEADDVGVYYCMQGTHWPYTFGQGTKLEIK
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.                                          (00:01:10)

• Minimal score value: -2.6779
• Maximal score value: 1.4498
• Average score: -0.5238
• Total score value: -120.4748

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	-1.3901
2	V	H	0.2398
3	Q	H	-0.1662
4	L	H	0.0000
5	V	H	0.9647
6	E	H	0.0000
7	T	H	-0.2305
8	G	H	-0.6804
9	G	H	-0.2244
11	G	H	0.4770
12	V	H	1.4498
13	V	H	0.0000
14	Q	H	-1.1321
15	P	H	-1.5340
16	G	H	-1.9837
17	R	H	-2.5485
18	S	H	-1.7468
19	L	H	-1.0634
20	R	H	-1.6825
21	L	H	0.0000
22	S	H	0.0000
23	C	H	0.0000
24	A	H	-0.0797
25	A	H	0.0000
26	S	H	-0.5113
27	G	H	-0.5496
28	F	H	-0.0615
29	T	H	0.0132
30	F	H	0.0000
35	S	H	-0.6081
36	S	H	-0.0412
37	Y	H	0.3860
38	A	H	0.0000
39	M	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	-0.9002
45	A	H	-1.2879
46	P	H	-1.1667
47	G	H	-1.4585
48	K	H	-2.3886
49	G	H	-1.6018
50	L	H	0.0000
51	E	H	-1.3881
52	W	H	0.0000
53	Y	H	0.0000
54	A	H	0.0000
55	V	H	0.0000
56	I	H	0.0000
57	S	H	-0.4238
58	Y	H	-0.0152
59	D	H	-1.0357
62	G	H	-1.0122
63	S	H	-1.0290
64	N	H	-1.3011
65	K	H	-0.8493
66	Y	H	-0.1850
67	Y	H	-0.6973
68	A	H	0.0000
69	D	H	-2.6779
70	S	H	-1.8361
71	V	H	0.0000
72	K	H	-2.5792
74	G	H	-1.7764
75	R	H	-1.5627
76	F	H	0.0000
77	T	H	-0.8730
78	I	H	0.0000
79	S	H	-0.5769
80	R	H	0.0000
81	D	H	-1.4787
82	N	H	-1.6524
83	S	H	-1.5521
84	K	H	-2.3788
85	N	H	-1.7906
86	T	H	-0.9429
87	L	H	0.0000
88	Y	H	-0.3601
89	L	H	0.0000
90	Q	H	-1.1821
91	M	H	0.0000
92	N	H	-1.7196
93	S	H	-1.6206
94	L	H	0.0000
95	R	H	-2.3173
96	A	H	-1.5882
97	E	H	-2.2159
98	D	H	0.0000
99	T	H	-0.6431
100	A	H	0.0000
101	V	H	0.1695
102	Y	H	0.0000
103	Y	H	0.0000
104	C	H	0.0000
105	A	H	0.0000
106	R	H	-0.1631
107	H	H	0.0000
108	E	H	0.4518
109	W	H	1.2179
110	G	H	0.7830
113	F	H	0.6858
114	G	H	0.0000
115	M	H	0.0000
116	D	H	-0.5315
117	V	H	-0.0470
118	W	H	-0.1197
119	G	H	0.0000
120	Q	H	-1.1488
121	G	H	-0.4374
122	T	H	-0.1289
123	T	H	0.1653
124	V	H	0.0000
125	T	H	0.1238
126	V	H	0.0000
127	S	H	-0.2381
128	S	H	-0.2936
1	D	L	-1.3780
2	V	L	0.0000
3	V	L	1.0468
4	M	L	0.0000
5	T	L	-0.4507
6	Q	L	0.0000
7	S	L	-0.2475
8	P	L	0.1758
9	L	L	0.8691
10	S	L	-0.0609
11	L	L	-0.1387
12	S	L	-0.8906
13	V	L	0.0000
14	T	L	-1.0539
15	L	L	-0.3857
16	G	L	-1.2432
17	Q	L	-1.7153
18	P	L	-1.4685
19	A	L	0.0000
20	S	L	-0.6288
21	I	L	0.0000
22	S	L	-0.8009
23	C	L	0.0000
24	R	L	-1.9224
25	S	L	0.0000
26	S	L	0.1252
27	L	L	0.7209
28	S	L	0.3783
29	L	L	0.0000
30	V	L	0.4620
31	Y	L	0.3265
32	G	L	-0.8817
34	D	L	-1.9167
35	E	L	-2.0693
36	N	L	-1.0973
37	T	L	-0.3301
38	Y	L	0.2127
39	L	L	0.0000
40	N	L	0.0000
41	W	L	0.0000
42	F	L	0.0000
43	Q	L	0.0000
44	Q	L	-0.9682
45	R	L	-1.4183
46	P	L	-0.9790
47	G	L	-1.4693
48	Q	L	-2.1137
49	S	L	-1.3850
50	P	L	0.0000
51	R	L	-1.2451
52	R	L	0.0000
53	L	L	0.0000
54	L	L	0.0000
55	Y	L	-0.3644
56	K	L	-0.4148
57	V	L	0.0000
65	S	L	-0.9358
66	D	L	-1.2179
67	R	L	-1.7493
68	D	L	-1.0967
69	S	L	-0.8836
70	G	L	-1.0034
71	V	L	0.0000
72	P	L	-1.2813
74	D	L	-2.2132
75	R	L	0.0000
76	F	L	0.0000
77	S	L	-1.2018
78	G	L	-0.8616
79	S	L	-0.8153
80	G	L	-1.1156
83	S	L	-0.8272
84	G	L	-0.2462
85	T	L	-0.8606
86	D	L	-1.6778
87	F	L	0.0000
88	T	L	-0.9613
89	L	L	0.0000
90	K	L	-1.2500
91	I	L	0.0000
92	S	L	-1.7141
93	R	L	-2.1887
94	V	L	0.0000
95	E	L	-1.0145
96	A	L	-0.8560
97	D	L	-1.4471
98	D	L	0.0000
99	V	L	-0.1823
100	G	L	0.0000
101	V	L	-0.1980
102	Y	L	0.0000
103	Y	L	0.0000
104	C	L	0.0000
105	M	L	0.0000
106	Q	L	0.0000
107	G	L	0.1988
108	T	L	0.0000
109	H	L	-0.1179
114	W	L	0.0822
115	P	L	-0.4560
116	Y	L	0.0000
117	T	L	-0.1885
118	F	L	-0.0460
119	G	L	0.0000
120	Q	L	-0.9329
121	G	L	0.0000
122	T	L	0.0000
123	K	L	-0.6330
124	L	L	0.0000
125	E	L	-1.4016
126	I	L	-0.5510
127	K	L	-1.6294