Project name: 13D3D12

Chain sequence(s)	H: GVQLVETGGGLVQPKGSLKLSCAASGFTFNAVAMNWVRQAPGKGLEWVARIRSKSNNYATYHADSVKDRFTISRDDSQSMLYLQMNNLKTEDTAMYYCVRGGHPYAMDYWGQGTSVTVSS; L: DIVMTQSPATLSVTPGDRVSLSCRASQSISDYLHWYQQKSHESPRLLIKYASQSISGIPSRFSGSGSGSDFTLRINSVEPEDVGVYYCQNGHSFPPTFGGGTKLEIK
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                                          (00:01:13)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:14)

• Minimal score value: -3.1244
• Maximal score value: 1.1949
• Average score: -0.7088
• Total score value: -160.9026

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	G	H	-0.7067
2	V	H	-0.4924
3	Q	H	-1.0894
4	L	H	0.0000
5	V	H	0.1816
6	E	H	0.0000
7	T	H	-0.3533
8	G	H	-0.6139
9	G	H	-0.2647
11	G	H	0.4075
12	L	H	1.1619
13	V	H	-0.1752
14	Q	H	-1.7071
15	P	H	-2.3046
16	K	H	-3.1244
17	G	H	-1.9036
18	S	H	-1.6181
19	L	H	-0.7130
20	K	H	-1.2050
21	L	H	0.0000
22	S	H	0.0000
23	C	H	0.0000
24	A	H	-0.1111
25	A	H	0.0000
26	S	H	-0.7166
27	G	H	-0.7418
28	F	H	-0.2766
29	T	H	-0.2483
30	F	H	0.0000
35	N	H	-1.5821
36	A	H	-0.7435
37	V	H	-0.6541
38	A	H	-0.8329
39	M	H	0.0000
40	N	H	0.0000
41	W	H	0.0000
42	V	H	0.0000
43	R	H	0.0000
44	Q	H	0.0000
45	A	H	-1.1904
46	P	H	-0.9886
47	G	H	-1.4323
48	K	H	-2.2358
49	G	H	-1.3491
50	L	H	0.0000
51	E	H	-0.8791
52	W	H	0.0000
53	V	H	0.0000
54	A	H	0.0000
55	R	H	0.0000
56	I	H	0.0000
57	R	H	-1.5860
58	S	H	-1.8929
59	K	H	-2.8052
60	S	H	-1.9838
61	N	H	-2.2773
62	N	H	-2.3494
63	Y	H	-1.3925
64	A	H	-0.8800
65	T	H	-0.2275
66	Y	H	0.0848
67	H	H	-1.0010
68	A	H	-1.3082
69	D	H	-2.5507
70	S	H	-1.8761
71	V	H	0.0000
72	K	H	-2.7398
74	D	H	-2.9898
75	R	H	-2.6011
76	F	H	0.0000
77	T	H	-0.9342
78	I	H	0.0000
79	S	H	-0.2893
80	R	H	-0.8939
81	D	H	-1.1405
82	D	H	-1.5877
83	S	H	-1.2330
84	Q	H	-1.6228
85	S	H	-1.0674
86	M	H	-0.5432
87	L	H	0.0000
88	Y	H	-0.2299
89	L	H	0.0000
90	Q	H	-0.9229
91	M	H	0.0000
92	N	H	-2.2513
93	N	H	-3.0514
94	L	H	0.0000
95	K	H	-2.6878
96	T	H	-1.8572
97	E	H	-2.2272
98	D	H	0.0000
99	T	H	-0.6734
100	A	H	0.0000
101	M	H	-0.0489
102	Y	H	0.0000
103	Y	H	0.0000
104	C	H	0.0000
105	V	H	0.0000
106	R	H	-0.0206
107	G	H	0.0000
108	G	H	-0.4348
109	H	H	-0.9782
110	P	H	-0.3923
113	Y	H	-0.1495
114	A	H	0.0000
115	M	H	0.0000
116	D	H	0.0587
117	Y	H	0.3734
118	W	H	-0.1222
119	G	H	0.0000
120	Q	H	-1.4128
121	G	H	-0.6680
122	T	H	0.0000
123	S	H	-0.2107
124	V	H	0.0000
125	T	H	-0.0798
126	V	H	0.0000
127	S	H	-0.8407
128	S	H	-0.7180
1	D	L	-1.1884
2	I	L	0.0000
3	V	L	0.7355
4	M	L	0.0000
5	T	L	-0.6591
6	Q	L	-0.8060
7	S	L	-0.7858
8	P	L	-0.4833
9	A	L	-0.5368
10	T	L	-0.8927
11	L	L	-0.7374
12	S	L	-0.9999
13	V	L	0.0000
14	T	L	-1.5650
15	P	L	-1.6676
16	G	L	-1.8596
17	D	L	-2.4063
18	R	L	-3.1115
19	V	L	0.0000
20	S	L	-1.2807
21	L	L	0.0000
22	S	L	-1.0788
23	C	L	0.0000
24	R	L	-2.4727
25	A	L	0.0000
26	S	L	-0.9735
27	Q	L	-1.5279
28	S	L	-1.4446
29	I	L	0.0000
36	S	L	-1.0119
37	D	L	-1.3269
38	Y	L	-0.3408
39	L	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	-0.8094
45	K	L	-1.0497
46	S	L	-0.9087
47	H	L	-1.6819
48	E	L	-1.6644
49	S	L	-1.0073
50	P	L	0.0000
51	R	L	-0.5158
52	L	L	0.0000
53	L	L	0.0000
54	I	L	0.0000
55	K	L	-0.5226
56	Y	L	-0.5092
57	A	L	0.0000
65	S	L	-0.9279
66	Q	L	-1.1646
67	S	L	-0.6972
68	I	L	-0.2601
69	S	L	-0.2733
70	G	L	-0.4277
71	I	L	-0.1597
72	P	L	-0.3488
74	S	L	-0.5579
75	R	L	-1.2970
76	F	L	0.0000
77	S	L	-1.1070
78	G	L	-0.8910
79	S	L	-1.0137
80	G	L	-1.3468
83	S	L	-1.3659
84	G	L	-1.4064
85	S	L	-2.0126
86	D	L	-2.5642
87	F	L	0.0000
88	T	L	-1.1429
89	L	L	0.0000
90	R	L	-1.9729
91	I	L	0.0000
92	N	L	-2.5464
93	S	L	-2.1606
94	V	L	0.0000
95	E	L	-1.4054
96	P	L	-1.0887
97	E	L	-0.9243
98	D	L	0.0000
99	V	L	-0.0421
100	G	L	-0.6676
101	V	L	-0.6622
102	Y	L	0.0000
103	Y	L	0.0000
104	C	L	0.0000
105	Q	L	0.0000
106	N	L	0.0000
107	G	L	-0.1525
108	H	L	-0.4652
109	S	L	0.1220
114	F	L	1.1949
115	P	L	0.1916
116	P	L	0.0000
117	T	L	0.0941
118	F	L	0.1713
119	G	L	0.0000
120	G	L	-0.7610
121	G	L	0.0000
122	T	L	0.0000
123	K	L	-1.7260
124	L	L	0.0000
125	E	L	-1.4809
126	I	L	-1.0174
127	K	L	-1.8112