Project name: 2A1

Chain sequence(s)	H: QVQLQQSGAELVRPGTSVKVSCKASGYDFNNDLIEWVKQRPGQGLEWIAVINPGSGRTNYNEKFKGKATLTADKSSSTVYMQLSSLTSDDSAVYFCAMIYYGPHSYAMDYWGQGTSVTVSS; L: DIVMTQSHKFMSTVVGDRVSITCKASLDVRTAVAWYQQKPGQSPKLLIYSASYRYTGVPDRFTGSGSGTDFTFNIRSVQAEDLAVYYCQQHYGIPWTFGGGTKLEIK
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                                          (00:01:11)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:12)

• Minimal score value: -3.4867
• Maximal score value: 1.3503
• Average score: -0.618
• Total score value: -140.9037

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	-1.5491
2	V	H	-1.3486
3	Q	H	-1.9714
4	L	H	0.0000
5	Q	H	-1.9437
6	Q	H	-1.2996
7	S	H	-0.9607
8	G	H	-0.7089
9	A	H	-0.0103
11	E	H	0.1404
12	L	H	0.9488
13	V	H	-0.2608
14	R	H	-1.8326
15	P	H	-1.6464
16	G	H	-1.2178
17	T	H	-1.0054
18	S	H	-0.9911
19	V	H	0.0000
20	K	H	-1.1471
21	V	H	0.0000
22	S	H	-0.6620
23	C	H	0.0000
24	K	H	-1.5723
25	A	H	0.0000
26	S	H	-1.4466
27	G	H	-1.4147
28	Y	H	-1.3743
29	D	H	-2.2183
30	F	H	0.0000
35	N	H	-1.9724
36	N	H	-1.3552
37	D	H	0.0000
38	L	H	-0.0597
39	I	H	0.0000
40	E	H	0.0000
41	W	H	0.0000
42	V	H	0.0000
43	K	H	0.0000
44	Q	H	-0.9181
45	R	H	-1.5779
46	P	H	-1.1251
47	G	H	-1.3827
48	Q	H	-1.9717
49	G	H	-1.2715
50	L	H	0.0000
51	E	H	-1.0626
52	W	H	0.0000
53	I	H	0.0000
54	A	H	0.0000
55	V	H	0.0000
56	I	H	0.0000
57	N	H	-1.2177
58	P	H	0.0000
59	G	H	-1.6767
62	S	H	-1.3438
63	G	H	-1.8072
64	R	H	-2.3078
65	T	H	-1.3421
66	N	H	-1.3362
67	Y	H	-1.3348
68	N	H	-2.1075
69	E	H	-3.4867
70	K	H	-3.2252
71	F	H	0.0000
72	K	H	-3.1560
74	G	H	-1.9768
75	K	H	-1.7284
76	A	H	0.0000
77	T	H	-0.8298
78	L	H	0.0000
79	T	H	-0.5425
80	A	H	-0.7902
81	D	H	-1.3833
82	K	H	-1.9557
83	S	H	-1.0481
84	S	H	-0.9105
85	S	H	-1.4015
86	T	H	0.0000
87	V	H	0.0000
88	Y	H	-0.2830
89	M	H	0.0000
90	Q	H	-1.0446
91	L	H	0.0000
92	S	H	-0.8156
93	S	H	-0.8957
94	L	H	0.0000
95	T	H	-1.2304
96	S	H	-1.3536
97	D	H	-1.8193
98	D	H	0.0000
99	S	H	-0.6145
100	A	H	0.0000
101	V	H	0.0327
102	Y	H	0.0000
103	F	H	0.0000
104	C	H	0.0000
105	A	H	0.0000
106	M	H	0.0000
107	I	H	0.0000
108	Y	H	1.3350
109	Y	H	1.3426
110	G	H	0.4484
111	P	H	-0.0392
112A	H	H	-0.6393
112	S	H	0.3861
113	Y	H	1.2520
114	A	H	0.0000
115	M	H	0.0000
116	D	H	0.0000
117	Y	H	0.0173
118	W	H	-0.5869
119	G	H	0.0000
120	Q	H	-1.8482
121	G	H	-0.9086
122	T	H	0.0000
123	S	H	-0.1117
124	V	H	0.0000
125	T	H	-0.0643
126	V	H	0.0000
127	S	H	-0.6651
128	S	H	-0.8115
1	D	L	-1.2754
2	I	L	0.0000
3	V	L	1.1773
4	M	L	0.0000
5	T	L	-0.9130
6	Q	L	-0.9925
7	S	L	-1.1383
8	H	L	-1.2210
9	K	L	-1.4231
10	F	L	0.4345
11	M	L	0.0681
12	S	L	0.0851
13	T	L	0.0000
14	V	L	0.6752
15	V	L	1.1206
16	G	L	-0.6351
17	D	L	-1.5571
18	R	L	-2.6024
19	V	L	0.0000
20	S	L	-0.6996
21	I	L	0.0000
22	T	L	-1.0161
23	C	L	0.0000
24	K	L	-2.1595
25	A	L	0.0000
26	S	L	-0.0672
27	L	L	0.0233
28	D	L	-2.0347
29	V	L	0.0000
36	R	L	-2.4556
37	T	L	-1.4664
38	A	L	-0.6031
39	V	L	0.0000
40	A	L	0.0000
41	W	L	0.0000
42	Y	L	0.0000
43	Q	L	0.0000
44	Q	L	-0.9130
45	K	L	-1.3900
46	P	L	-0.9909
47	G	L	-1.4256
48	Q	L	-1.9992
49	S	L	-1.2574
50	P	L	0.0000
51	K	L	-0.7738
52	L	L	0.0000
53	L	L	0.0000
54	I	L	0.0000
55	Y	L	0.0000
56	S	L	0.0000
57	A	L	0.0000
65	S	L	0.0318
66	Y	L	0.4271
67	R	L	-0.4673
68	Y	L	-0.1242
69	T	L	-0.2164
70	G	L	-0.7111
71	V	L	-0.7043
72	P	L	-1.2288
74	D	L	-2.3911
75	R	L	-2.1603
76	F	L	0.0000
77	T	L	-0.8518
78	G	L	0.0000
79	S	L	-0.5432
80	G	L	-1.4384
83	S	L	-1.9786
84	G	L	-2.1360
85	T	L	-2.1223
86	D	L	-2.8845
87	F	L	0.0000
88	T	L	-0.8112
89	F	L	0.0000
90	N	L	0.0000
91	I	L	0.0000
92	R	L	-3.2074
93	S	L	-1.8462
94	V	L	0.0000
95	Q	L	-1.0591
96	A	L	-0.3466
97	E	L	-1.5607
98	D	L	0.0000
99	L	L	-0.2768
100	A	L	0.0000
101	V	L	-0.3067
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	H	L	0.0000
108	Y	L	0.2124
109	G	L	0.3096
114	I	L	0.3276
115	P	L	-0.6540
116	W	L	0.0000
117	T	L	0.0640
118	F	L	0.0000
119	G	L	0.0000
120	G	L	-1.1496
121	G	L	0.0000
122	T	L	0.0000
123	K	L	-0.7248
124	L	L	0.0000
125	E	L	0.2011
126	I	L	1.3503
127	K	L	-0.4850