Project name: 2VXV VHVL

Chain sequence(s)	H: EVQLVQSGTEVKKPGESLKISCKGSGYTVTSYWIGWVRQMPGKGLEWMGFIYPGDSETRYSPTFQGQVTISADKSFNTAFLQWSSLKASDTAMYYCARVGSGWYPYTFDIWGQGTMVTVSS; L: EIVMTQSPATLSVSPGERATLSCRASESISSNLAWYQQKPGQAPRLFIYTASTRATDIPARFSGSGSGTEFTLTISSLQSEDFAVYYCQQYNNWPSITFGQGTR
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                                          (00:00:44)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:46)

• Minimal score value: -3.066
• Maximal score value: 1.8694
• Average score: -0.5063
• Total score value: -113.911

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	E	H	-1.8134
2	V	H	-0.6926
3	Q	H	-0.6003
4	L	H	0.0000
5	V	H	0.7595
6	Q	H	0.0000
7	S	H	-0.4356
8	G	H	-0.5156
9	T	H	-0.0117
11	E	H	0.1280
12	V	H	1.0963
13	K	H	-0.8434
14	K	H	-2.0207
15	P	H	-1.8406
16	G	H	-1.8530
17	E	H	-2.3262
18	S	H	-1.6790
19	L	H	0.0000
20	K	H	-1.3460
21	I	H	0.0000
22	S	H	-0.3945
23	C	H	0.0000
24	K	H	-0.7422
25	G	H	0.0000
26	S	H	-0.6731
27	G	H	-0.9164
28	Y	H	-0.3525
29	T	H	-0.0839
30	V	H	0.0000
35	T	H	-0.7251
36	S	H	-0.2003
37	Y	H	0.3028
38	W	H	0.0000
39	I	H	0.0000
40	G	H	0.0000
41	W	H	0.0000
42	V	H	0.0000
43	R	H	-0.4749
44	Q	H	-0.7478
45	M	H	-0.7006
46	P	H	-0.8694
47	G	H	-1.3830
48	K	H	-2.2523
49	G	H	-1.5104
50	L	H	0.0000
51	E	H	-0.8101
52	W	H	0.0000
53	M	H	0.0000
54	G	H	0.0000
55	F	H	0.0000
56	I	H	0.0000
57	Y	H	-0.5519
58	P	H	0.0000
59	G	H	-1.3880
62	D	H	-2.2313
63	S	H	-1.4776
64	E	H	-1.4864
65	T	H	-1.0222
66	R	H	-1.2707
67	Y	H	-0.8869
68	S	H	-0.8863
69	P	H	-1.1145
70	T	H	-0.7227
71	F	H	0.0000
72	Q	H	-1.8668
74	G	H	-1.4750
75	Q	H	-1.6117
76	V	H	0.0000
77	T	H	-0.7452
78	I	H	0.0000
79	S	H	-0.4023
80	A	H	-0.5744
81	D	H	-0.6077
82	K	H	-1.0506
83	S	H	0.0624
84	F	H	1.0156
85	N	H	-0.3205
86	T	H	0.0000
87	A	H	0.0000
88	F	H	-0.3657
89	L	H	0.0000
90	Q	H	-1.0414
91	W	H	0.0000
92	S	H	-1.0997
93	S	H	-1.4318
94	L	H	0.0000
95	K	H	-1.4969
96	A	H	-0.8294
97	S	H	-0.4261
98	D	H	0.0000
99	T	H	-0.0328
100	A	H	0.0000
101	M	H	0.0333
102	Y	H	0.0000
103	Y	H	0.0000
104	C	H	0.0000
105	A	H	0.0000
106	R	H	-0.0916
107	V	H	0.0000
108	G	H	0.0000
109	S	H	0.1810
110	G	H	0.8716
111	W	H	1.8694
112A	Y	H	1.8379
112	P	H	0.0000
113	Y	H	0.8188
114	T	H	0.0000
115	F	H	0.0000
116	D	H	-0.4051
117	I	H	-0.1475
118	W	H	-0.2410
119	G	H	0.0000
120	Q	H	-0.9682
121	G	H	0.0000
122	T	H	0.0000
123	M	H	0.2089
124	V	H	0.0000
125	T	H	0.1721
126	V	H	0.0000
127	S	H	-0.7583
128	S	H	-0.8671
1	E	L	-1.6207
2	I	L	0.0000
3	V	L	0.7064
4	M	L	0.0000
5	T	L	-0.5742
6	Q	L	0.0000
7	S	L	-0.8360
8	P	L	-0.4564
9	A	L	-0.6547
10	T	L	-0.7029
11	L	L	-0.0964
12	S	L	-0.0742
13	V	L	-0.4912
14	S	L	-1.0526
15	P	L	-1.4864
16	G	L	-2.0196
17	E	L	-3.0660
18	R	L	-2.9722
19	A	L	0.0000
20	T	L	-0.6883
21	L	L	0.0000
22	S	L	-0.8929
23	C	L	0.0000
24	R	L	-2.3593
25	A	L	0.0000
26	S	L	-0.9167
27	E	L	-1.5266
28	S	L	-1.3296
29	I	L	0.0000
36	S	L	-0.7802
37	S	L	-0.5329
38	N	L	0.0000
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	-1.2430
46	P	L	-0.8766
47	G	L	-1.2659
48	Q	L	-1.8039
49	A	L	-1.2145
50	P	L	0.0000
51	R	L	-1.3653
52	L	L	0.0000
53	F	L	0.0000
54	I	L	0.0000
55	Y	L	0.2125
56	T	L	-0.0345
57	A	L	0.0000
65	S	L	-0.4503
66	T	L	-0.4446
67	R	L	-1.1613
68	A	L	-1.0251
69	T	L	-1.2019
70	D	L	-1.9792
71	I	L	0.0000
72	P	L	-0.7974
74	A	L	-0.5832
75	R	L	-0.7149
76	F	L	0.0000
77	S	L	-0.5540
78	G	L	-0.4403
79	S	L	-0.6642
80	G	L	-1.1439
83	S	L	-1.1258
84	G	L	-1.2320
85	T	L	-1.7796
86	E	L	-2.3226
87	F	L	0.0000
88	T	L	-0.8222
89	L	L	0.0000
90	T	L	-0.6224
91	I	L	0.0000
92	S	L	-1.4664
93	S	L	-1.9030
94	L	L	0.0000
95	Q	L	-1.3963
96	S	L	-0.8082
97	E	L	-1.1964
98	D	L	0.0000
99	F	L	0.3937
100	A	L	-0.2995
101	V	L	0.0000
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	N	L	-0.5223
109	N	L	-0.8781
113	W	L	-0.0315
114	P	L	-0.0538
115	S	L	0.0000
116	I	L	0.0000
117	T	L	-0.2375
118	F	L	0.0000
119	G	L	0.0000
120	Q	L	-1.3539
121	G	L	0.0000
122	T	L	0.0000
123	R	L	-1.7258