Project name: 80afaa1a2eecf9b

Chain sequence(s)	H: QMQLVESGGGVVQPGRSLRLSCTASGFTFSNNGMHWVRQAPGKGLEWVAVIWFDGMNKFYVDSVKGRFTISRDNSKNTLYLEMNSLRAEDTAIYYCAREGDGSGIYYYYGMDVWGQGTTVTVSS; L: EIVLTQSPGTLSLSPGERATLSCRASQSVSSSYLAWYQQKPGQAPRLLIYGASSRATGIPDRFSGSGSGTDFTLTISRLEPEDFAVYYCQQYGSSPIFTFGPGTKVDIK
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                                          (00:01:09)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:10)

• Minimal score value: -3.5025
• Maximal score value: 2.1834
• Average score: -0.5758
• Total score value: -134.1721

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	-1.4047
2	M	H	-0.8014
3	Q	H	-0.9299
4	L	H	0.0000
5	V	H	0.4790
6	E	H	0.0000
7	S	H	-0.5666
8	G	H	-1.0003
9	G	H	-0.4048
11	G	H	0.4463
12	V	H	1.4339
13	V	H	0.0000
14	Q	H	-1.3479
15	P	H	-2.0487
16	G	H	-2.2536
17	R	H	-2.7492
18	S	H	-2.0202
19	L	H	-1.4508
20	R	H	-2.3161
21	L	H	0.0000
22	S	H	-0.5894
23	C	H	0.0000
24	T	H	-0.3541
25	A	H	0.0000
26	S	H	-0.8842
27	G	H	-0.9859
28	F	H	-0.5527
29	T	H	-0.5787
30	F	H	0.0000
35	S	H	-1.1448
36	N	H	-0.9940
37	N	H	0.0000
38	G	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	-0.7833
45	A	H	-1.1844
46	P	H	-0.9780
47	G	H	-1.4488
48	K	H	-2.2283
49	G	H	-1.3133
50	L	H	0.0000
51	E	H	-0.8838
52	W	H	0.0000
53	V	H	0.0000
54	A	H	0.0000
55	V	H	0.0000
56	I	H	0.0000
57	W	H	0.0000
58	F	H	0.3014
59	D	H	-0.6764
62	G	H	-0.2156
63	M	H	0.5057
64	N	H	-0.2192
65	K	H	-0.2791
66	F	H	0.2425
67	Y	H	-0.3806
68	V	H	-0.8301
69	D	H	-2.1786
70	S	H	-1.6705
71	V	H	0.0000
72	K	H	-2.1383
74	G	H	-1.5993
75	R	H	-1.5190
76	F	H	0.0000
77	T	H	-0.9500
78	I	H	0.0000
79	S	H	-0.3704
80	R	H	-0.7921
81	D	H	-1.6099
82	N	H	-1.8240
83	S	H	-1.6113
84	K	H	-2.4517
85	N	H	-1.9243
86	T	H	-1.1324
87	L	H	0.0000
88	Y	H	-0.6842
89	L	H	0.0000
90	E	H	-1.7665
91	M	H	0.0000
92	N	H	-2.0279
93	S	H	-1.8384
94	L	H	0.0000
95	R	H	-3.0327
96	A	H	-1.9331
97	E	H	-2.4443
98	D	H	0.0000
99	T	H	-0.7264
100	A	H	0.0000
101	I	H	0.1230
102	Y	H	0.0000
103	Y	H	0.0000
104	C	H	0.0000
105	A	H	0.0000
106	R	H	-0.3797
107	E	H	0.0000
108	G	H	-0.1564
109	D	H	0.0272
110	G	H	0.0381
111	S	H	-0.0655
111A	G	H	0.2961
111B	I	H	2.1834
112B	Y	H	2.0653
112A	Y	H	1.7461
112	Y	H	1.5477
113	Y	H	0.7632
114	G	H	0.0000
115	M	H	0.0000
116	D	H	-0.8841
117	V	H	-0.4534
118	W	H	0.0000
119	G	H	0.0000
120	Q	H	-1.3291
121	G	H	-0.5877
122	T	H	-0.2522
123	T	H	0.0019
124	V	H	0.0000
125	T	H	0.0408
126	V	H	0.0000
127	S	H	-0.3807
128	S	H	-0.3332
1	E	L	-1.4458
2	I	L	-0.3725
3	V	L	0.8343
4	L	L	0.0000
5	T	L	-0.5734
6	Q	L	0.0000
7	S	L	-0.8803
8	P	L	-0.6417
9	G	L	-0.8618
10	T	L	-0.7070
11	L	L	-0.2240
12	S	L	-0.2171
13	L	L	-0.4109
14	S	L	-0.9541
15	P	L	-1.4569
16	G	L	-1.9537
17	E	L	-2.4380
18	R	L	-3.0962
19	A	L	0.0000
20	T	L	-0.5595
21	L	L	0.0000
22	S	L	-0.9176
23	C	L	0.0000
24	R	L	-2.2760
25	A	L	0.0000
26	S	L	-0.9765
27	Q	L	-1.6865
28	S	L	-1.2985
29	V	L	0.0000
30	S	L	-0.4345
36	S	L	-0.3762
37	S	L	0.3579
38	Y	L	0.6233
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	-1.4521
46	P	L	-1.0169
47	G	L	-1.4543
48	Q	L	-2.0932
49	A	L	-1.4219
50	P	L	0.0000
51	R	L	-1.6222
52	L	L	0.0000
53	L	L	0.0000
54	I	L	0.0000
55	Y	L	0.2367
56	G	L	0.0000
57	A	L	0.0000
65	S	L	-0.5912
66	S	L	-0.4865
67	R	L	-1.2311
68	A	L	-0.7660
69	T	L	-0.5757
70	G	L	-0.8669
71	I	L	0.0000
72	P	L	-1.3028
74	D	L	-2.3920
75	R	L	-2.1190
76	F	L	0.0000
77	S	L	-0.9308
78	G	L	-0.4915
79	S	L	-0.6685
80	G	L	-1.0711
83	S	L	-1.0122
84	G	L	-1.2028
85	T	L	-1.6863
86	D	L	-2.0729
87	F	L	0.0000
88	T	L	-0.7624
89	L	L	0.0000
90	T	L	-0.8464
91	I	L	0.0000
92	S	L	-2.4823
93	R	L	-3.5025
94	L	L	0.0000
95	E	L	-2.6562
96	P	L	-1.4695
97	E	L	-1.9641
98	D	L	0.0000
99	F	L	-0.3201
100	A	L	0.0000
101	V	L	-0.1910
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	G	L	-0.3165
109	S	L	-0.2798
113	S	L	-0.4235
114	P	L	0.0487
115	I	L	-0.2200
116	F	L	0.0000
117	T	L	0.1525
118	F	L	0.0000
119	G	L	0.0000
120	P	L	-0.5686
121	G	L	-0.7357
122	T	L	0.0000
123	K	L	-1.1397
124	V	L	0.0000
125	D	L	0.0968
126	I	L	1.0444
127	K	L	-0.7972