Project name: 3f1e8040d22ffe

Chain sequence(s)	H: QVQLVQSGAEVKKPGASVKVSCKASGYIFTDYYMHWVRQVPGQGLEWMGRINPNSGGTNYEQKFQGRVTMTRDTSISTAYMELSRLRSDDTAVYYCARDLSIVIVTTTMGDVFDIWGQGTMVTVSS; L: DIVMTQSPDSLAVSLGERATINCKSSQSVLYSSNNKNYLAWYQQKPGQPPKLLIYWASTRESGVPDRFSGSGSGTDFTLTISSLQAEDVAVYYCQQYYSTPPLTFGGGTKVEIK
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           (00:00:01)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:01)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:01)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:01:23)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:25)

• Minimal score value: -3.0787
• Maximal score value: 3.5846
• Average score: -0.5045
• Total score value: -121.0807

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	-1.3786
2	V	H	-0.5216
3	Q	H	-0.8927
4	L	H	0.0000
5	V	H	0.1890
6	Q	H	0.0000
7	S	H	-0.5937
8	G	H	-0.5481
9	A	H	0.0499
11	E	H	-0.0221
12	V	H	0.9302
13	K	H	-0.9101
14	K	H	-2.3299
15	P	H	-2.5116
16	G	H	-2.2162
17	A	H	-1.7405
18	S	H	-1.7994
19	V	H	0.0000
20	K	H	-2.0322
21	V	H	0.0000
22	S	H	-0.6783
23	C	H	0.0000
24	K	H	-0.6912
25	A	H	0.0000
26	S	H	-0.1944
27	G	H	-0.4651
28	Y	H	0.5761
29	I	H	1.8728
30	F	H	0.0000
35	T	H	-0.0661
36	D	H	0.6539
37	Y	H	1.2127
38	Y	H	0.3858
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	-0.3354
45	V	H	-0.4119
46	P	H	-0.5577
47	G	H	-1.1106
48	Q	H	-1.5720
49	G	H	-1.0082
50	L	H	0.0000
51	E	H	-0.5925
52	W	H	0.0000
53	M	H	0.0000
54	G	H	0.0000
55	R	H	0.0000
56	I	H	0.0000
57	N	H	-0.8992
58	P	H	0.0000
59	N	H	-1.5326
62	S	H	-1.1976
63	G	H	-1.0937
64	G	H	-0.9421
65	T	H	-0.4979
66	N	H	-0.8343
67	Y	H	-1.1185
68	E	H	-1.7267
69	Q	H	-2.5994
70	K	H	-2.7352
71	F	H	0.0000
72	Q	H	-2.4271
74	G	H	-1.7158
75	R	H	-1.6219
76	V	H	0.0000
77	T	H	-0.8230
78	M	H	0.0000
79	T	H	-0.5615
80	R	H	-1.0052
81	D	H	-0.8838
82	T	H	-0.2903
83	S	H	0.2751
84	I	H	1.0608
85	S	H	0.3205
86	T	H	0.0000
87	A	H	0.0000
88	Y	H	-0.7774
89	M	H	0.0000
90	E	H	-1.3931
91	L	H	0.0000
92	S	H	-1.8136
93	R	H	-2.7497
94	L	H	0.0000
95	R	H	-3.0787
96	S	H	-2.1711
97	D	H	-2.1217
98	D	H	0.0000
99	T	H	-0.6134
100	A	H	0.0000
101	V	H	0.2679
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	D	H	0.0000
108	L	H	0.9524
109	S	H	1.4201
110	I	H	3.0068
111	V	H	2.5444
111A	I	H	3.5846
111B	V	H	3.0874
111C	T	H	1.3577
112C	T	H	0.7055
112B	T	H	0.5368
112A	M	H	1.2428
112	G	H	0.0000
113	D	H	0.0000
114	V	H	0.0000
115	F	H	0.0000
116	D	H	0.0000
117	I	H	0.2736
118	W	H	0.0000
119	G	H	0.0000
120	Q	H	-1.0424
121	G	H	-0.4973
122	T	H	0.0000
123	M	H	0.3635
124	V	H	0.0000
125	T	H	-0.2192
126	V	H	0.0000
127	S	H	-1.1198
128	S	H	-0.7891
1	D	L	-1.6240
2	I	L	0.0000
3	V	L	0.7608
4	M	L	0.0000
5	T	L	-0.9040
6	Q	L	-1.4579
7	S	L	-1.5340
8	P	L	-1.3940
9	D	L	-2.3191
10	S	L	-1.5121
11	L	L	-0.7275
12	A	L	-0.3816
13	V	L	-0.9162
14	S	L	-0.9229
15	L	L	-0.0066
16	G	L	-1.2628
17	E	L	-2.6929
18	R	L	-2.7668
19	A	L	0.0000
20	T	L	-0.8737
21	I	L	0.0000
22	N	L	-1.6915
23	C	L	0.0000
24	K	L	-2.3762
25	S	L	0.0000
26	S	L	-0.9746
27	Q	L	-1.5840
28	S	L	-0.9668
29	V	L	0.0000
30	L	L	-0.3870
31	Y	L	-0.5062
32	S	L	-1.0629
33	S	L	-1.1137
34	N	L	-1.8589
35	N	L	-2.0067
36	K	L	-1.3324
37	N	L	-0.5072
38	Y	L	0.2163
39	L	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	0.0000
45	K	L	-1.1698
46	P	L	-0.8862
47	G	L	-1.2360
48	Q	L	-1.6565
49	P	L	-1.0147
50	P	L	0.0000
51	K	L	-0.7081
52	L	L	0.0000
53	L	L	0.0000
54	I	L	0.0000
55	Y	L	0.0780
56	W	L	0.0540
57	A	L	0.0000
65	S	L	-0.5178
66	T	L	-0.3756
67	R	L	-1.1478
68	E	L	-0.9364
69	S	L	-0.6671
70	G	L	-0.9357
71	V	L	-0.9483
72	P	L	-1.2464
74	D	L	-2.1560
75	R	L	-1.5332
76	F	L	0.0000
77	S	L	-0.8332
78	G	L	-0.4831
79	S	L	-0.7232
80	G	L	-1.2126
83	S	L	-1.1188
84	G	L	-1.1002
85	T	L	-1.6104
86	D	L	-2.2824
87	F	L	0.0000
88	T	L	-1.0626
89	L	L	0.0000
90	T	L	-0.6834
91	I	L	0.0000
92	S	L	-1.7469
93	S	L	-1.8181
94	L	L	0.0000
95	Q	L	-1.3819
96	A	L	-0.7627
97	E	L	-1.9164
98	D	L	0.0000
99	V	L	-0.2653
100	A	L	0.0000
101	V	L	-0.5547
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	Y	L	0.0000
108	Y	L	0.4100
109	S	L	-0.2112
113	T	L	-0.0783
114	P	L	-0.3060
115	P	L	-0.8026
116	L	L	0.0000
117	T	L	-0.0453
118	F	L	0.0000
119	G	L	0.0000
120	G	L	-0.9245
121	G	L	-1.2390
122	T	L	0.0000
123	K	L	-1.5677
124	V	L	0.0000
125	E	L	-0.7084
126	I	L	0.0648
127	K	L	-1.2238