Project name: 3G6A VHVL

Chain sequence(s)	H: QVQLVESGGGLVQPGGSLRLSCAASGFTFNSYWINWVRQAPGKGLEWVSGIAYDSSNTLYADSVKGRFTISRDNSKNTLYLQMNSLRAEDTAVYYCARGLGAFHWDMQPDYWGQGTLVTVSS; L: SYELTQPPSVSVAPGQTARISCSGDNIGGTFVSWYQQKPGQAPVLVIYDDNDRPSGIPERFSGSNSGNTATLTISGTQAEDEADYYCGTWDMVTNNVFGGGTK
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                                          (00:00:47)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:48)

• Minimal score value: -3.3912
• Maximal score value: 2.2054
• Average score: -0.5842
• Total score value: -131.4535

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	-1.4835
2	V	H	-0.8902
3	Q	H	-0.9722
4	L	H	0.0000
5	V	H	1.0642
6	E	H	0.4278
7	S	H	-0.0772
8	G	H	-0.4896
9	G	H	0.2559
11	G	H	0.8302
12	L	H	1.4275
13	V	H	0.0666
14	Q	H	-1.2693
15	P	H	-1.5345
16	G	H	-1.4277
17	G	H	-1.0801
18	S	H	-1.2159
19	L	H	-0.5234
20	R	H	-1.1768
21	L	H	0.0000
22	S	H	-0.1513
23	C	H	0.0000
24	A	H	-0.1389
25	A	H	0.0000
26	S	H	-0.9008
27	G	H	-1.0129
28	F	H	-0.4502
29	T	H	-0.2810
30	F	H	0.0000
35	N	H	-1.2073
36	S	H	-0.0764
37	Y	H	0.5052
38	W	H	0.0000
39	I	H	0.0000
40	N	H	0.0000
41	W	H	0.0000
42	V	H	0.0000
43	R	H	0.0000
44	Q	H	-0.6309
45	A	H	-1.0074
46	P	H	-0.8074
47	G	H	-1.4503
48	K	H	-2.2571
49	G	H	-1.4405
50	L	H	0.0000
51	E	H	-0.8272
52	W	H	0.0000
53	V	H	0.0000
54	S	H	0.0000
55	G	H	0.0000
56	I	H	0.0000
57	A	H	0.0000
58	Y	H	-0.1029
59	D	H	-1.3399
62	S	H	-1.0935
63	S	H	-0.9477
64	N	H	-0.9099
65	T	H	-0.3969
66	L	H	-0.1425
67	Y	H	-0.7483
68	A	H	-1.3166
69	D	H	-2.4615
70	S	H	-1.7110
71	V	H	0.0000
72	K	H	-2.5675
74	G	H	-1.8321
75	R	H	-1.6952
76	F	H	0.0000
77	T	H	-0.7911
78	I	H	0.0000
79	S	H	-0.3655
80	R	H	-1.0015
81	D	H	-1.6453
82	N	H	-1.8779
83	S	H	-1.6569
84	K	H	-2.4977
85	N	H	-1.9966
86	T	H	-1.0726
87	L	H	0.0000
88	Y	H	-0.2463
89	L	H	0.0000
90	Q	H	-0.9309
91	M	H	0.0000
92	N	H	-1.7980
93	S	H	-1.4183
94	L	H	0.0000
95	R	H	-1.9644
96	A	H	-1.5247
97	E	H	-2.1094
98	D	H	0.0000
99	T	H	-0.2871
100	A	H	0.0000
101	V	H	0.7260
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	0.0000
108	L	H	0.5694
109	G	H	0.6629
110	A	H	0.8878
111	F	H	1.7654
111A	H	H	0.9575
112A	W	H	1.4541
112	D	H	0.7586
113	M	H	0.0000
114	Q	H	0.0000
115	P	H	0.0000
116	D	H	0.0000
117	Y	H	1.0408
118	W	H	0.0000
119	G	H	0.0000
120	Q	H	-1.1180
121	G	H	-0.2316
122	T	H	0.5370
123	L	H	1.5247
124	V	H	0.0000
125	T	H	0.4055
126	V	H	0.0000
127	S	H	-0.6885
128	S	H	-0.5905
1	S	L	-0.5541
2	Y	L	-0.6545
3	E	L	-2.0788
4	L	L	0.0000
5	T	L	-0.9560
6	Q	L	-0.6142
7	P	L	-0.6174
8	P	L	-0.9355
9	S	L	-0.9267
11	V	L	-0.5199
12	S	L	-0.4535
13	V	L	-0.3496
14	A	L	-0.3878
15	P	L	-1.1541
16	G	L	-1.3582
17	Q	L	-1.5496
18	T	L	-1.2962
19	A	L	0.0000
20	R	L	-1.7820
21	I	L	0.0000
22	S	L	-0.6360
23	C	L	0.0000
24	S	L	-1.5268
25	G	L	-2.3053
26	D	L	-3.3912
27	N	L	-3.0906
28	I	L	0.0000
29	G	L	-1.7501
36	G	L	-1.1818
37	T	L	0.2581
38	F	L	1.2869
39	V	L	0.0000
40	S	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	-1.4087
46	P	L	-1.2944
47	G	L	-1.3831
48	Q	L	-1.6495
49	A	L	-0.6970
50	P	L	0.0000
51	V	L	1.5959
52	L	L	0.0000
53	V	L	0.0000
54	I	L	0.0000
55	Y	L	-0.6873
56	D	L	-0.9286
57	D	L	-1.1044
65	N	L	-2.2020
66	D	L	-2.4509
67	R	L	-1.8130
68	P	L	-0.6016
69	S	L	-0.6297
70	G	L	-0.7318
71	I	L	-0.3569
72	P	L	-1.1209
74	E	L	-2.0825
75	R	L	-1.3073
76	F	L	0.0000
77	S	L	-1.4795
78	G	L	-1.4526
79	S	L	-1.1086
80	N	L	-1.0039
83	S	L	-1.4089
84	G	L	-2.2543
85	N	L	-2.9882
86	T	L	-1.6247
87	A	L	0.0000
88	T	L	-0.8765
89	L	L	0.0000
90	T	L	-0.9463
91	I	L	0.0000
92	S	L	-1.3893
93	G	L	-1.3781
94	T	L	0.0000
95	Q	L	-2.0525
96	A	L	-1.7028
97	E	L	-2.6842
98	D	L	0.0000
99	E	L	-2.9981
100	A	L	-2.0069
101	D	L	-1.5739
102	Y	L	0.0000
103	Y	L	0.0000
104	C	L	0.0000
105	G	L	0.0000
106	T	L	0.0000
107	W	L	0.0000
108	D	L	1.1313
109	M	L	1.9021
113	V	L	2.2054
114	T	L	0.6882
115	N	L	0.0000
116	N	L	0.0000
117	V	L	-0.2610
118	F	L	-0.2673
119	G	L	0.0000
120	G	L	-1.1839
121	G	L	-1.1652
122	T	L	0.0000
123	K	L	-2.2040