Project name: P2D6

Chain sequence(s)	H: QVQLQQSGAEFLKPGASVKLSCKASGYTFTNYWMHWVKQRPGRGLEWIGRIDPDNGETNYNEKFKTKATLTVDNPSSTAYMQLSSLTSDDSAVYYCARRAYYSRNALDYWGQGTSVTVSS; L: DIVLTQSPASLAVSLGQRATISCRASESVDNYGISFMHWYQQKPGQPPKLLIYRASNLDSGIPARFSGSGSRTDFTLTINPVETDDVATYYCQQNNKDPWTFGGGTKLEIK
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                                          (00:01:28)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:29)

• Minimal score value: -3.4266
• Maximal score value: 1.5699
• Average score: -0.6663
• Total score value: -153.912

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	-1.5170
2	V	H	-1.0806
3	Q	H	-1.8159
4	L	H	0.0000
5	Q	H	-2.0875
6	Q	H	0.0000
7	S	H	-0.9702
8	G	H	-0.6641
9	A	H	0.0860
11	E	H	0.4059
12	F	H	1.4383
13	L	H	0.0719
14	K	H	-1.5770
15	P	H	-1.3731
16	G	H	-1.1496
17	A	H	-0.8930
18	S	H	-0.8811
19	V	H	-0.5423
20	K	H	-1.1545
21	L	H	0.0000
22	S	H	-0.6108
23	C	H	0.0000
24	K	H	-1.5165
25	A	H	0.0000
26	S	H	-1.1801
27	G	H	-1.0528
28	Y	H	-0.5777
29	T	H	-0.4496
30	F	H	0.0000
35	T	H	-1.4943
36	N	H	-1.1178
37	Y	H	-0.1414
38	W	H	-0.3642
39	M	H	0.0000
40	H	H	0.0000
41	W	H	0.0000
42	V	H	0.0000
43	K	H	0.0000
44	Q	H	-1.0488
45	R	H	-1.6023
46	P	H	-1.1911
47	G	H	-1.5910
48	R	H	-2.5484
49	G	H	-1.6464
50	L	H	0.0000
51	E	H	-1.3083
52	W	H	0.0000
53	I	H	0.0000
54	G	H	0.0000
55	R	H	-0.6172
56	I	H	0.0000
57	D	H	-1.6425
58	P	H	0.0000
59	D	H	-2.9328
62	N	H	-2.5655
63	G	H	-1.8490
64	E	H	-1.8644
65	T	H	-1.0047
66	N	H	-1.4237
67	Y	H	-1.6765
68	N	H	-2.4913
69	E	H	-3.4266
70	K	H	-3.1154
71	F	H	0.0000
72	K	H	-2.9783
74	T	H	-1.6072
75	K	H	-1.4161
76	A	H	0.0000
77	T	H	-0.7448
78	L	H	0.0000
79	T	H	-0.2041
80	V	H	-0.4040
81	D	H	-0.8613
82	N	H	-1.3401
83	P	H	-0.6507
84	S	H	-0.6462
85	S	H	-0.6899
86	T	H	0.0000
87	A	H	0.0000
88	Y	H	-0.1458
89	M	H	0.0000
90	Q	H	-0.9892
91	L	H	0.0000
92	S	H	-0.6523
93	S	H	-0.7582
94	L	H	0.0000
95	T	H	-1.2493
96	S	H	-1.4452
97	D	H	-1.9715
98	D	H	0.0000
99	S	H	-0.5884
100	A	H	0.0000
101	V	H	-0.1397
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	R	H	0.0557
108	A	H	0.5256
109	Y	H	1.5670
110	Y	H	1.5699
111	S	H	0.4366
112	R	H	-0.2478
113	N	H	0.0640
114	A	H	0.0000
115	L	H	0.0000
116	D	H	-0.5784
117	Y	H	-0.1567
118	W	H	-0.7308
119	G	H	0.0000
120	Q	H	-1.8984
121	G	H	-1.0919
122	T	H	0.0000
123	S	H	-0.1381
124	V	H	0.0000
125	T	H	0.0628
126	V	H	0.0000
127	S	H	-0.5271
128	S	H	-0.6950
1	D	L	-1.8128
2	I	L	0.0000
3	V	L	0.7344
4	L	L	0.0000
5	T	L	-0.6095
6	Q	L	-0.7069
7	S	L	-0.7370
8	P	L	-0.3913
9	A	L	-0.4243
10	S	L	-0.7199
11	L	L	-0.4941
12	A	L	-0.6628
13	V	L	0.0000
14	S	L	-1.2103
15	L	L	-0.4329
16	G	L	-1.3821
17	Q	L	-2.4748
18	R	L	-2.8504
19	A	L	0.0000
20	T	L	-0.6390
21	I	L	0.0000
22	S	L	-0.8480
23	C	L	0.0000
24	R	L	-2.3468
25	A	L	0.0000
26	S	L	-0.9053
27	E	L	-1.5476
28	S	L	-1.8910
29	V	L	0.0000
30	D	L	-1.2267
31	N	L	-0.5974
34	Y	L	0.8311
35	G	L	-0.1061
36	I	L	0.0557
37	S	L	-0.6684
38	F	L	-0.6166
39	M	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	0.0000
45	K	L	-1.3846
46	P	L	-0.9536
47	G	L	-1.3955
48	Q	L	-2.1053
49	P	L	-1.4390
50	P	L	0.0000
51	K	L	-1.7719
52	L	L	0.0000
53	L	L	0.0000
54	I	L	0.0000
55	Y	L	-0.3086
56	R	L	-0.4186
57	A	L	0.0000
65	S	L	-0.5049
66	N	L	-0.4027
67	L	L	0.0778
68	D	L	-0.5023
69	S	L	-0.5283
70	G	L	-0.5733
71	I	L	0.0000
72	P	L	-0.2746
74	A	L	-0.2385
75	R	L	-0.8588
76	F	L	0.0000
77	S	L	-0.3909
78	G	L	-0.3830
79	S	L	-0.7213
80	G	L	-1.3864
83	S	L	-1.7436
84	R	L	-2.7726
85	T	L	-2.2022
86	D	L	-2.1990
87	F	L	0.0000
88	T	L	-0.7337
89	L	L	0.0000
90	T	L	0.0000
91	I	L	0.0000
92	N	L	-2.0791
93	P	L	-1.8527
94	V	L	0.0000
95	E	L	-1.5989
96	T	L	-1.1804
97	D	L	-1.8120
98	D	L	0.0000
99	V	L	-0.4370
100	A	L	0.0000
101	T	L	-0.6725
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	N	L	0.0000
108	N	L	-1.1734
109	K	L	-1.9675
114	D	L	-1.9948
115	P	L	-1.9911
116	W	L	0.0000
117	T	L	-0.4983
118	F	L	0.0000
119	G	L	0.0000
120	G	L	-0.8577
121	G	L	-0.8997
122	T	L	0.0000
123	K	L	-1.1565
124	L	L	0.0000
125	E	L	-1.4909
126	I	L	-0.8394
127	K	L	-1.5941