Project name: d8db474ec2d85db

Chain sequence(s)	H: QVQLVQSGAEVKKPGSSVKVSCKASGYTFTDYAMHWVRQAPGQGLEWMGLISIYSDHTNYNQKFQGRVTITADKSTSTAYMELSSLRSEDTAVYYCGRNNYGNYGWYFDVWGQGTTVTVSS; L: EIVLTQSPATLSLSPGERATLSCSASSSVSYMHWYQQKPGQAPRLLIYDTSKLASGIPARFSGSGSGTDYTLTISSLEPEDFAVYYCFQGSGYPYTFGQGTKLEIK
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                                          (00:01:46)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:48)

• Minimal score value: -3.1728
• Maximal score value: 1.1837
• Average score: -0.5212
• Total score value: -118.3096

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	-1.3337
2	V	H	-0.6589
3	Q	H	-0.7573
4	L	H	0.0000
5	V	H	0.6006
6	Q	H	0.0000
7	S	H	-0.5325
8	G	H	-0.5997
9	A	H	-0.0496
11	E	H	-0.0692
12	V	H	0.9035
13	K	H	-0.9633
14	K	H	-2.2165
15	P	H	-2.1776
16	G	H	-1.6700
17	S	H	-1.3300
18	S	H	-1.3882
19	V	H	0.0000
20	K	H	-1.9095
21	V	H	0.0000
22	S	H	-0.4258
23	C	H	0.0000
24	K	H	-0.3971
25	A	H	0.0000
26	S	H	-0.5200
27	G	H	-0.8419
28	Y	H	-0.5305
29	T	H	-0.4892
30	F	H	0.0000
35	T	H	-0.6543
36	D	H	-1.2380
37	Y	H	-0.1892
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	-0.5576
45	A	H	-0.9751
46	P	H	-0.8181
47	G	H	-1.2090
48	Q	H	-1.8443
49	G	H	-1.2857
50	L	H	0.0000
51	E	H	-0.8752
52	W	H	0.0000
53	M	H	0.0000
54	G	H	0.0000
55	L	H	0.0000
56	I	H	0.0000
57	S	H	-0.7465
58	I	H	0.0000
59	Y	H	0.1847
62	S	H	-0.6365
63	D	H	-1.6615
64	H	H	-1.6076
65	T	H	-1.1002
66	N	H	-0.9033
67	Y	H	-0.9818
68	N	H	-1.6404
69	Q	H	-2.6644
70	K	H	-2.7039
71	F	H	0.0000
72	Q	H	-2.2995
74	G	H	-1.5287
75	R	H	-1.4178
76	V	H	0.0000
77	T	H	-0.7320
78	I	H	0.0000
79	T	H	-0.6336
80	A	H	-0.8110
81	D	H	-1.2607
82	K	H	-1.2532
83	S	H	-0.8621
84	T	H	-0.7325
85	S	H	-0.8719
86	T	H	-0.5582
87	A	H	0.0000
88	Y	H	-0.4456
89	M	H	0.0000
90	E	H	-1.1600
91	L	H	0.0000
92	S	H	-1.1294
93	S	H	-1.2970
94	L	H	0.0000
95	R	H	-3.1728
96	S	H	-2.3945
97	E	H	-2.5536
98	D	H	0.0000
99	T	H	-0.8787
100	A	H	0.0000
101	V	H	0.1958
102	Y	H	0.0000
103	Y	H	0.0000
104	C	H	0.0000
105	G	H	0.0000
106	R	H	0.0000
107	N	H	0.0000
108	N	H	0.0375
109	Y	H	0.4609
110	G	H	0.1046
111	N	H	-0.4901
112A	Y	H	0.8002
112	G	H	0.0000
113	W	H	0.5170
114	Y	H	0.0000
115	F	H	0.0000
116	D	H	-0.3873
117	V	H	-0.3191
118	W	H	-0.2622
119	G	H	0.0000
120	Q	H	-1.1883
121	G	H	-0.5125
122	T	H	0.0000
123	T	H	0.0434
124	V	H	0.0000
125	T	H	-0.3057
126	V	H	0.0000
127	S	H	-0.9789
128	S	H	-1.0456
1	E	L	-1.2898
2	I	L	0.1458
3	V	L	1.1837
4	L	L	0.0000
5	T	L	-0.1915
6	Q	L	0.0000
7	S	L	-0.4738
8	P	L	-0.3407
9	A	L	-0.4422
10	T	L	-0.4600
11	L	L	-0.1213
12	S	L	-0.2269
13	L	L	-0.5100
14	S	L	-0.9366
15	P	L	-1.2730
16	G	L	-1.6464
17	E	L	-2.0715
18	R	L	-2.4765
19	A	L	0.0000
20	T	L	-0.6264
21	L	L	0.0000
22	S	L	-0.5837
23	C	L	0.0000
24	S	L	-0.7798
25	A	L	0.0000
26	S	L	-0.1522
27	S	L	-0.5002
28	S	L	-0.7613
29	V	L	0.0000
37	S	L	-0.0815
38	Y	L	0.2587
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	-1.4159
46	P	L	-0.9686
47	G	L	-1.4056
48	Q	L	-2.0672
49	A	L	-1.3407
50	P	L	0.0000
51	R	L	-1.5401
52	L	L	0.0000
53	L	L	0.0000
54	I	L	0.0000
55	Y	L	0.1523
56	D	L	0.0000
57	T	L	-0.3026
65	S	L	-0.5777
66	K	L	-0.8197
67	L	L	-0.0198
68	A	L	0.0000
69	S	L	-0.4709
70	G	L	-0.4869
71	I	L	0.0000
72	P	L	-0.2261
74	A	L	-0.1290
75	R	L	-0.7516
76	F	L	0.0000
77	S	L	-0.4422
78	G	L	-0.4276
79	S	L	-0.8177
80	G	L	-1.0126
83	S	L	-1.0362
84	G	L	-1.0268
85	T	L	-1.2947
86	D	L	-2.1565
87	Y	L	0.0000
88	T	L	-0.6691
89	L	L	0.0000
90	T	L	-0.6410
91	I	L	0.0000
92	S	L	-1.4584
93	S	L	-1.6817
94	L	L	0.0000
95	E	L	-1.6404
96	P	L	-1.1540
97	E	L	-1.9410
98	D	L	0.0000
99	F	L	-0.3387
100	A	L	0.0000
101	V	L	-0.2458
102	Y	L	0.0000
103	Y	L	0.0000
104	C	L	0.0000
105	F	L	0.0000
106	Q	L	0.0000
107	G	L	0.0000
108	S	L	0.2286
109	G	L	-0.1683
114	Y	L	0.0556
115	P	L	-0.6415
116	Y	L	0.0000
117	T	L	-0.0187
118	F	L	0.0000
119	G	L	0.0000
120	Q	L	-1.2806
121	G	L	0.0000
122	T	L	0.0000
123	K	L	-0.8963
124	L	L	0.0000
125	E	L	-0.0292
126	I	L	0.7776
127	K	L	-0.8378