Project name: 20.23E5

Chain sequence(s)	H: QVQLQQPGTELVKPGASVKLSCKASGYTFTSYWMHWLRQRPGQGLEWIGNINPNNGGTKYNEKFKSKATLTVDKSSSTAYMQLSSLTSEDSAVYYCASPAYWGQGTLVTVSA; L: DIQMTQSPSSLSASLGERVSLTCRASQEISGYLNWLQQKPDGTIKRLIYAASILDSGVPKRFSGSRSGSDYSLTISSLESEDFADYYCLQYASYPWTFGGGTKLEIK
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                                          (00:01:50)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:51)

• Minimal score value: -3.3287
• Maximal score value: 1.6617
• Average score: -0.6382
• Total score value: -139.7652

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	-1.5537
2	V	H	-0.9900
3	Q	H	-1.9252
4	L	H	0.0000
5	Q	H	-2.1564
6	Q	H	0.0000
7	P	H	-0.9248
8	G	H	-0.8382
9	T	H	-0.0570
11	E	H	-0.1067
12	L	H	0.9973
13	V	H	-0.1496
14	K	H	-1.5185
15	P	H	-1.2369
16	G	H	-1.0618
17	A	H	-0.8468
18	S	H	-1.0607
19	V	H	0.0000
20	K	H	-1.9901
21	L	H	0.0000
22	S	H	-0.8883
23	C	H	0.0000
24	K	H	-1.8543
25	A	H	0.0000
26	S	H	-1.3285
27	G	H	-1.0628
28	Y	H	-0.2920
29	T	H	0.0918
30	F	H	0.0000
35	T	H	-0.7597
36	S	H	0.1674
37	Y	H	1.0842
38	W	H	0.6379
39	M	H	0.0000
40	H	H	0.0000
41	W	H	0.0000
42	L	H	0.0000
43	R	H	0.0000
44	Q	H	-0.7986
45	R	H	-1.4044
46	P	H	-1.0305
47	G	H	-1.3504
48	Q	H	-1.9055
49	G	H	-1.2113
50	L	H	0.0000
51	E	H	-0.8019
52	W	H	0.0000
53	I	H	0.0000
54	G	H	0.0000
55	N	H	0.0000
56	I	H	0.0000
57	N	H	-0.8171
58	P	H	0.0000
59	N	H	-2.1332
62	N	H	-2.2634
63	G	H	-1.5133
64	G	H	-1.1618
65	T	H	-0.7868
66	K	H	-1.3307
67	Y	H	-1.4976
68	N	H	-2.2118
69	E	H	-3.3287
70	K	H	-3.1808
71	F	H	0.0000
72	K	H	-3.1047
74	S	H	-1.7641
75	K	H	-1.4785
76	A	H	0.0000
77	T	H	-0.7685
78	L	H	0.0000
79	T	H	-0.4680
80	V	H	-0.9648
81	D	H	-1.4642
82	K	H	-2.4326
83	S	H	-1.2220
84	S	H	-1.0679
85	S	H	-1.2311
86	T	H	0.0000
87	A	H	0.0000
88	Y	H	-0.4698
89	M	H	0.0000
90	Q	H	-1.2890
91	L	H	0.0000
92	S	H	-0.8450
93	S	H	-0.7799
94	L	H	0.0000
95	T	H	-1.2609
96	S	H	-1.4168
97	E	H	-2.0223
98	D	H	0.0000
99	S	H	-0.6024
100	A	H	0.0000
101	V	H	0.0534
102	Y	H	0.0000
103	Y	H	0.0000
104	C	H	0.0000
105	A	H	0.0000
106	S	H	0.0000
107	P	H	0.5048
116	A	H	0.2277
117	Y	H	0.4548
118	W	H	-0.1847
119	G	H	0.0000
120	Q	H	-1.3450
121	G	H	0.0000
122	T	H	0.0000
123	L	H	0.2718
124	V	H	0.0000
125	T	H	0.0260
126	V	H	0.0000
127	S	H	-0.4406
128	A	H	-0.3838
1	D	L	-2.1100
2	I	L	0.0000
3	Q	L	-2.2453
4	M	L	0.0000
5	T	L	-1.3503
6	Q	L	-1.0767
7	S	L	-0.7512
8	P	L	-0.5201
9	S	L	-0.6870
10	S	L	-0.7676
11	L	L	-0.4875
12	S	L	-0.8781
13	A	L	0.0000
14	S	L	-1.2706
15	L	L	-0.6439
16	G	L	-1.5262
17	E	L	-2.6533
18	R	L	-2.6320
19	V	L	0.0000
20	S	L	-0.6356
21	L	L	0.0000
22	T	L	-0.8357
23	C	L	0.0000
24	R	L	-2.8682
25	A	L	0.0000
26	S	L	-2.3002
27	Q	L	-2.8049
28	E	L	-2.6559
29	I	L	0.0000
36	S	L	-0.6410
37	G	L	0.0336
38	Y	L	1.0481
39	L	L	0.0000
40	N	L	0.0000
41	W	L	0.0000
42	L	L	0.0000
43	Q	L	0.0000
44	Q	L	0.0000
45	K	L	-1.4331
46	P	L	-1.2842
47	D	L	-2.2003
48	G	L	-1.4435
49	T	L	-1.1929
50	I	L	0.0000
51	K	L	-0.7233
52	R	L	-0.3550
53	L	L	0.0000
54	I	L	0.0000
55	Y	L	1.1120
56	A	L	0.9122
57	A	L	0.0000
65	S	L	0.4360
66	I	L	1.6617
67	L	L	0.5041
68	D	L	-0.1557
69	S	L	-0.3187
70	G	L	-0.8201
71	V	L	0.0000
72	P	L	-1.1209
74	K	L	-1.9177
75	R	L	-1.5194
76	F	L	0.0000
77	S	L	-0.4016
78	G	L	-0.0810
79	S	L	-0.6593
80	R	L	-1.5167
83	S	L	-1.2100
84	G	L	-1.4252
85	S	L	-1.9833
86	D	L	-1.8718
87	Y	L	0.0000
88	S	L	-0.8394
89	L	L	0.0000
90	T	L	-0.6395
91	I	L	0.0000
92	S	L	-1.7020
93	S	L	-1.7212
94	L	L	0.0000
95	E	L	-1.7417
96	S	L	-1.2603
97	E	L	-1.9830
98	D	L	0.0000
99	F	L	-0.5643
100	A	L	0.0000
101	D	L	-0.8229
102	Y	L	0.0000
103	Y	L	0.0000
104	C	L	0.0000
105	L	L	0.0000
106	Q	L	0.0000
107	Y	L	0.8520
108	A	L	0.3984
109	S	L	0.3006
114	Y	L	0.2509
115	P	L	-0.5056
116	W	L	0.0678
117	T	L	-0.4211
118	F	L	-0.2225
119	G	L	0.0000
120	G	L	-1.0061
121	G	L	0.0000
122	T	L	0.0000
123	K	L	-1.1027
124	L	L	0.0000
125	E	L	-1.1294
126	I	L	-0.3353
127	K	L	-1.5513