Project name: 8F6O VHVL

Chain sequence(s)	H: QVQLVQSGAEVKKPGASVKVSCKASGFSLSSYGVSWVRQAPGQGLEWMGAISYDGITYYASWAKSRVTMTRDTSTSTVYMELSSLRSEDTAVYYCARGDYYDDYVYVYALDIWGQGTLVTVSS; L: EIVLTQSPGTLSLSPGERATLSCQASQSISTALAWYQQKPGQAPRLLIYAASTLASGIPDRFSGSGSGTDFTLTISRLEPEDFAVYYCQQGYSSSNLDNVFGGGTKVEIK
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                                          (00:01:06)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:07)

• Minimal score value: -3.5355
• Maximal score value: 2.7686
• Average score: -0.4306
• Total score value: -100.3235

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	-1.3091
2	V	H	-0.5677
3	Q	H	-0.7619
4	L	H	0.0000
5	V	H	0.4698
6	Q	H	0.0000
7	S	H	-0.4564
8	G	H	-0.4305
9	A	H	0.3321
11	E	H	0.1668
12	V	H	1.1107
13	K	H	-0.8295
14	K	H	-2.1209
15	P	H	-2.1147
16	G	H	-1.6202
17	A	H	-1.2051
18	S	H	-1.2695
19	V	H	0.0000
20	K	H	-1.8345
21	V	H	0.0000
22	S	H	-0.5303
23	C	H	0.0000
24	K	H	-0.6916
25	A	H	0.0000
26	S	H	-0.5609
27	G	H	-0.7968
28	F	H	-0.2257
29	S	H	-0.0684
30	L	H	0.0000
35	S	H	-0.4396
36	S	H	-0.2539
37	Y	H	0.1317
38	G	H	0.3174
39	V	H	0.0000
40	S	H	0.0000
41	W	H	0.0000
42	V	H	0.0000
43	R	H	0.0000
44	Q	H	-0.4843
45	A	H	-0.8749
46	P	H	-0.8879
47	G	H	-1.2481
48	Q	H	-1.7514
49	G	H	-1.1227
50	L	H	0.0000
51	E	H	-0.8142
52	W	H	0.0000
53	M	H	0.0000
54	G	H	0.0000
55	A	H	0.5376
56	I	H	0.0000
57	S	H	0.3637
58	Y	H	-0.3212
59	D	H	-1.2147
63	G	H	-0.0413
64	I	H	1.6351
65	T	H	1.0918
66	Y	H	0.8211
67	Y	H	-0.1672
68	A	H	0.0000
69	S	H	-0.8271
70	W	H	-0.1886
71	A	H	0.0000
72	K	H	-1.1842
74	S	H	-0.8569
75	R	H	-0.9004
76	V	H	0.0000
77	T	H	-0.5698
78	M	H	0.0000
79	T	H	-0.0950
80	R	H	-0.7113
81	D	H	-0.8469
82	T	H	-0.6667
83	S	H	-0.5000
84	T	H	-0.5550
85	S	H	-0.6669
86	T	H	0.0000
87	V	H	0.0000
88	Y	H	-0.5620
89	M	H	0.0000
90	E	H	-1.1821
91	L	H	0.0000
92	S	H	-1.0631
93	S	H	-1.2429
94	L	H	0.0000
95	R	H	-3.1427
96	S	H	-2.3876
97	E	H	-2.5905
98	D	H	0.0000
99	T	H	-0.6815
100	A	H	0.0000
101	V	H	0.7002
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	G	H	0.4092
108	D	H	0.4188
109	Y	H	1.1609
110	Y	H	0.3718
111	D	H	-1.2356
111A	D	H	-1.1198
111B	Y	H	1.5240
112B	V	H	2.7686
112A	Y	H	2.6924
112	V	H	2.3749
113	Y	H	1.5788
114	A	H	0.0000
115	L	H	0.0000
116	D	H	-0.2630
117	I	H	-0.1243
118	W	H	-0.2360
119	G	H	0.0000
120	Q	H	-1.0770
121	G	H	-0.3288
122	T	H	0.0000
123	L	H	1.0718
124	V	H	0.0000
125	T	H	0.0114
126	V	H	0.0000
127	S	H	-1.1301
128	S	H	-1.2115
1	E	L	-2.0361
2	I	L	0.0000
3	V	L	0.8559
4	L	L	0.0000
5	T	L	-0.4251
6	Q	L	0.0000
7	S	L	-0.7611
8	P	L	-0.6885
9	G	L	-0.9555
10	T	L	-0.8010
11	L	L	-0.3051
12	S	L	-0.2425
13	L	L	-0.4226
14	S	L	-1.0125
15	P	L	-1.6315
16	G	L	-2.1156
17	E	L	-2.5289
18	R	L	-3.1450
19	A	L	0.0000
20	T	L	-0.6372
21	L	L	0.0000
22	S	L	-0.8201
23	C	L	0.0000
24	Q	L	-1.7298
25	A	L	0.0000
26	S	L	-0.9328
27	Q	L	-1.6779
28	S	L	-1.2081
29	I	L	0.0000
36	S	L	-0.5581
37	T	L	-0.2737
38	A	L	0.5318
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	-1.4758
46	P	L	-1.1081
47	G	L	-1.3768
48	Q	L	-2.0198
49	A	L	-1.2244
50	P	L	0.0000
51	R	L	-1.1198
52	L	L	0.0000
53	L	L	0.0000
54	I	L	0.0000
55	Y	L	0.4590
56	A	L	0.2114
57	A	L	0.0000
65	S	L	-0.1888
66	T	L	0.1865
67	L	L	0.2176
68	A	L	0.0000
69	S	L	-0.2609
70	G	L	-0.6164
71	I	L	-0.5147
72	P	L	-0.9840
74	D	L	-2.0520
75	R	L	-1.9751
76	F	L	0.0000
77	S	L	-0.5994
78	G	L	-0.2368
79	S	L	-0.7326
80	G	L	-1.1497
83	S	L	-1.1061
84	G	L	-1.2390
85	T	L	-1.7578
86	D	L	-2.4180
87	F	L	0.0000
88	T	L	-0.7798
89	L	L	0.0000
90	T	L	-0.8491
91	I	L	0.0000
92	S	L	-2.3328
93	R	L	-3.5355
94	L	L	0.0000
95	E	L	-2.7973
96	P	L	-1.6902
97	E	L	-2.3096
98	D	L	0.0000
99	F	L	-0.4727
100	A	L	0.0000
101	V	L	-0.4226
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	G	L	0.9039
108	Y	L	1.4284
109	S	L	0.1992
110	S	L	-0.4759
112	S	L	-0.9091
113	N	L	-1.8030
114	L	L	-0.9659
115	D	L	-0.9212
116	N	L	-0.3090
117	V	L	0.1583
118	F	L	0.0000
119	G	L	0.0000
120	G	L	-0.6602
121	G	L	-0.8731
122	T	L	0.0000
123	K	L	-1.3826
124	V	L	0.0000
125	E	L	-0.0112
126	I	L	1.0215
127	K	L	-0.8297