Project name: 4ee1d67024e9e82

Chain sequence(s)	H: QVQLVQSGAEVVKPGASVKISCKASGYTFTGYFMNWVKQSPGQSLEWIGRIHPYDGDTFYNQKFQGKATLTVDKSSNTAHMELLSLTSEDFAVYYCTRYDGSRAMDYWGQGTTVTVSS; L: DIVLTQSPLSLAVSLGQPAIISCKASQSVSFAGTSLMHWYHQKPGQQPRLLIYRASNLEAGVPDRFSGSGSKTDFTLTISPVEAEDAATYYCQQSREYPYTFGGGTKLEIK
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                                          (00:01:35)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:37)

• Minimal score value: -2.8151
• Maximal score value: 1.4764
• Average score: -0.465
• Total score value: -106.4819

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	-1.3785
2	V	H	-0.5293
3	Q	H	-0.5883
4	L	H	0.0000
5	V	H	0.6590
6	Q	H	0.0000
7	S	H	-0.5300
8	G	H	-0.3021
9	A	H	0.1331
11	E	H	0.2784
12	V	H	1.4764
13	V	H	0.1942
14	K	H	-1.6070
15	P	H	-1.5387
16	G	H	-1.0384
17	A	H	-0.7444
18	S	H	-0.8157
19	V	H	-0.7759
20	K	H	-1.9608
21	I	H	0.0000
22	S	H	-0.6814
23	C	H	0.0000
24	K	H	-0.9013
25	A	H	0.0000
26	S	H	-0.7686
27	G	H	-0.9414
28	Y	H	-0.4037
29	T	H	-0.2222
30	F	H	0.0000
35	T	H	-0.1294
36	G	H	-0.0283
37	Y	H	0.3909
38	F	H	0.3336
39	M	H	0.0000
40	N	H	0.0000
41	W	H	0.0000
42	V	H	0.0000
43	K	H	0.0000
44	Q	H	-0.4431
45	S	H	-0.6791
46	P	H	-0.5876
47	G	H	-1.1372
48	Q	H	-1.6151
49	S	H	-1.0969
50	L	H	0.0000
51	E	H	-1.2324
52	W	H	0.0000
53	I	H	0.0000
54	G	H	0.0000
55	R	H	0.0000
56	I	H	0.0000
57	H	H	-0.4381
58	P	H	0.0000
59	Y	H	0.0272
62	D	H	-1.6957
63	G	H	-1.5105
64	D	H	-1.8165
65	T	H	-0.6910
66	F	H	0.1523
67	Y	H	-0.5559
68	N	H	-1.3911
69	Q	H	-2.4671
70	K	H	-2.8151
71	F	H	0.0000
72	Q	H	-2.2737
74	G	H	-1.5304
75	K	H	-1.2680
76	A	H	0.0000
77	T	H	-0.7562
78	L	H	0.0000
79	T	H	-0.8474
80	V	H	-0.8479
81	D	H	-1.5459
82	K	H	-1.5982
83	S	H	-1.1152
84	S	H	-1.1027
85	N	H	-1.5038
86	T	H	0.0000
87	A	H	0.0000
88	H	H	-1.0560
89	M	H	0.0000
90	E	H	-1.3488
91	L	H	0.0000
92	L	H	-0.3563
93	S	H	-0.5797
94	L	H	0.0000
95	T	H	-0.9783
96	S	H	-1.0326
97	E	H	-1.5293
98	D	H	0.0000
99	F	H	0.9594
100	A	H	0.0000
101	V	H	0.5544
102	Y	H	0.0000
103	Y	H	0.0000
104	C	H	0.0000
105	T	H	0.0000
106	R	H	0.0000
107	Y	H	0.0108
108	D	H	-0.4123
109	G	H	-0.6698
110	S	H	-0.6692
113	R	H	-0.9427
114	A	H	0.0000
115	M	H	0.0000
116	D	H	-0.1700
117	Y	H	0.2985
118	W	H	0.0000
119	G	H	0.0000
120	Q	H	-0.7708
121	G	H	-0.4392
122	T	H	0.0000
123	T	H	0.4294
124	V	H	0.0000
125	T	H	0.6244
126	V	H	0.0000
127	S	H	-0.4079
128	S	H	-0.6824
1	D	L	-1.5388
2	I	L	0.0000
3	V	L	0.7749
4	L	L	0.0000
5	T	L	-0.3933
6	Q	L	0.0000
7	S	L	0.1228
8	P	L	0.5599
9	L	L	1.0328
10	S	L	-0.0417
11	L	L	0.1987
12	A	L	-0.7196
13	V	L	-0.5174
14	S	L	-0.9122
15	L	L	-0.2228
16	G	L	-0.8962
17	Q	L	-1.3574
18	P	L	-0.5074
19	A	L	0.0000
20	I	L	1.4275
21	I	L	0.0000
22	S	L	-0.3535
23	C	L	0.0000
24	K	L	-2.3959
25	A	L	0.0000
26	S	L	-0.9411
27	Q	L	-1.4945
28	S	L	-1.2771
29	V	L	0.0000
30	S	L	-0.1760
31	F	L	1.4264
34	A	L	0.7544
35	G	L	-0.1921
36	T	L	-0.0897
37	S	L	0.0000
38	L	L	0.0000
39	M	L	0.0000
40	H	L	0.0000
41	W	L	0.0000
42	Y	L	0.0000
43	H	L	0.0000
44	Q	L	-1.1113
45	K	L	-1.4768
46	P	L	-1.0016
47	G	L	-1.2863
48	Q	L	-1.7914
49	Q	L	-1.3706
50	P	L	0.0000
51	R	L	-1.0721
52	L	L	0.0000
53	L	L	0.0000
54	I	L	0.0000
55	Y	L	-0.4750
56	R	L	-0.9358
57	A	L	0.0000
65	S	L	-0.7723
66	N	L	-0.6597
67	L	L	-0.3317
68	E	L	-0.5093
69	A	L	-0.2500
70	G	L	-0.6641
71	V	L	0.0000
72	P	L	-1.0201
74	D	L	-1.8759
75	R	L	0.0000
76	F	L	0.0000
77	S	L	-0.5274
78	G	L	-0.3311
79	S	L	-0.8999
80	G	L	-1.5761
83	S	L	-2.0070
84	K	L	-2.3978
85	T	L	0.0000
86	D	L	-2.7033
87	F	L	0.0000
88	T	L	-0.4718
89	L	L	0.0000
90	T	L	0.3826
91	I	L	0.0000
92	S	L	-0.7400
93	P	L	-1.0320
94	V	L	0.0000
95	E	L	-1.3473
96	A	L	-1.2910
97	E	L	-2.0021
98	D	L	0.0000
99	A	L	-1.1698
100	A	L	0.0000
101	T	L	-0.6955
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	S	L	0.0000
108	R	L	-0.5034
109	E	L	-0.8110
114	Y	L	0.0915
115	P	L	-0.5790
116	Y	L	0.0000
117	T	L	-0.2350
118	F	L	0.0000
119	G	L	0.0000
120	G	L	-0.3271
121	G	L	0.0000
122	T	L	0.0000
123	K	L	-1.0713
124	L	L	0.0000
125	E	L	-1.4640
126	I	L	-0.9201
127	K	L	-1.5492