Project name: 2AGJ VHVL

Chain sequence(s)	H: QVTLKESGPTLVKPTQTLTLTCTFSGFSLTTTGEGVGWIRQPPGKALEFLAFIYWNDAKRYNPSLQSRLTITKDASKKQVVLTLTNLDPVDTATYYCARTSGWDIEFEYWGQGTLVTVSS; L: EIVLTQSPGTLSLSPGERATLSCRASETVSNDKVAWYQQKPGQAPRLLIYGASSRATGIPDRFSGSGSGTDFTLSISGLEPEDFVVYYCQQYASSPRTFGQGTK
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                                          (00:01:11)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:12)

• Minimal score value: -2.5926
• Maximal score value: 1.2474
• Average score: -0.5854
• Total score value: -131.1243

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	-1.3775
2	V	H	0.0000
3	T	H	-0.9348
4	L	H	0.0000
5	K	H	-1.7890
6	E	H	0.0000
7	S	H	-0.7620
8	G	H	-0.3029
9	P	H	0.1205
11	T	H	0.5554
12	L	H	1.0583
13	V	H	0.0000
14	K	H	-1.2465
15	P	H	-1.3652
16	T	H	-1.6079
17	Q	H	-1.7597
18	T	H	-1.1742
19	L	H	0.0000
20	T	H	-0.1270
21	L	H	0.0000
22	T	H	-0.3609
23	C	H	0.0000
24	T	H	-1.2147
25	F	H	0.0000
26	S	H	-1.0262
27	G	H	-1.0646
28	F	H	0.0000
29	S	H	-0.3670
30	L	H	0.0000
31	T	H	-0.4266
34	T	H	-0.2190
35	T	H	-0.1086
36	G	H	0.0000
37	E	H	0.0000
38	G	H	0.0000
39	V	H	0.0000
40	G	H	0.0000
41	W	H	0.0000
42	I	H	0.0000
43	R	H	0.0000
44	Q	H	-0.7743
45	P	H	0.0000
46	P	H	-0.7909
47	G	H	-1.4497
48	K	H	-2.2530
49	A	H	-1.2949
50	L	H	0.0000
51	E	H	-0.7804
52	F	H	0.0000
53	L	H	0.0000
54	A	H	0.0000
55	F	H	0.0000
56	I	H	0.0000
57	Y	H	-0.6320
58	W	H	-0.5920
59	N	H	-1.5328
63	D	H	-1.6361
64	A	H	-1.1186
65	K	H	-1.3100
66	R	H	-1.6182
67	Y	H	-0.9770
68	N	H	-0.8481
69	P	H	-1.0553
70	S	H	-0.6157
71	L	H	-0.7278
72	Q	H	-1.5575
74	S	H	-0.9484
75	R	H	-1.0829
76	L	H	0.0000
77	T	H	-0.4598
78	I	H	0.0000
79	T	H	-0.4656
80	K	H	-1.1781
81	D	H	-1.9513
82	A	H	-1.4809
83	S	H	-1.5886
84	K	H	-2.5458
85	K	H	-2.0889
86	Q	H	-1.7211
87	V	H	0.0000
88	V	H	0.0398
89	L	H	0.0000
90	T	H	-0.0498
91	L	H	0.0000
92	T	H	-1.1893
93	N	H	-2.0508
94	L	H	0.0000
95	D	H	-1.2843
96	P	H	-0.1103
97	V	H	1.2474
98	D	H	0.0000
99	T	H	0.4895
100	A	H	0.0000
101	T	H	-0.0130
102	Y	H	0.0000
103	Y	H	0.0000
104	C	H	0.0000
105	A	H	0.0000
106	R	H	-0.1598
107	T	H	0.0000
108	S	H	-0.0283
109	G	H	0.1809
110	W	H	0.7079
112	D	H	-0.5672
113	I	H	0.1425
114	E	H	0.0000
115	F	H	0.0000
116	E	H	-0.5150
117	Y	H	-0.3993
118	W	H	-0.6277
119	G	H	0.0000
120	Q	H	-1.7491
121	G	H	0.0000
122	T	H	-0.3194
123	L	H	0.5480
124	V	H	0.0000
125	T	H	0.4714
126	V	H	0.0000
127	S	H	-0.2697
128	S	H	-0.5257
1	E	L	-1.6588
2	I	L	0.0000
3	V	L	0.6541
4	L	L	0.0000
5	T	L	-0.7400
6	Q	L	0.0000
7	S	L	-0.9023
8	P	L	-0.5399
9	G	L	-0.8090
10	T	L	-0.3495
11	L	L	0.0140
12	S	L	0.0234
13	L	L	-0.3335
14	S	L	-0.9508
15	P	L	-1.7029
16	G	L	-1.9286
17	E	L	-2.4340
18	R	L	-2.5926
19	A	L	0.0000
20	T	L	-0.6933
21	L	L	0.0000
22	S	L	-0.9505
23	C	L	0.0000
24	R	L	-2.3481
25	A	L	0.0000
26	S	L	-0.9314
27	E	L	-1.4948
28	T	L	-1.3402
29	V	L	0.0000
30	S	L	-1.2415
36	N	L	-1.8835
37	D	L	-1.7058
38	K	L	-1.0429
39	V	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	-1.2217
46	P	L	-0.9943
47	G	L	-1.4144
48	Q	L	-2.0573
49	A	L	-1.3806
50	P	L	0.0000
51	R	L	-1.5334
52	L	L	0.0000
53	L	L	0.0000
54	I	L	0.0000
55	Y	L	-0.3903
56	G	L	-0.9419
57	A	L	0.0000
65	S	L	-0.7338
66	S	L	-0.6679
67	R	L	-1.3001
68	A	L	-0.7141
69	T	L	-0.5640
70	G	L	-0.8589
71	I	L	0.0000
72	P	L	-1.3061
74	D	L	-2.1960
75	R	L	-1.6202
76	F	L	0.0000
77	S	L	-0.9201
78	G	L	-0.5243
79	S	L	-0.7721
80	G	L	-1.2415
83	S	L	-1.4398
84	G	L	-1.4121
85	T	L	-1.7119
86	D	L	-2.2511
87	F	L	0.0000
88	T	L	-0.8372
89	L	L	0.0000
90	S	L	0.0000
91	I	L	0.0000
92	S	L	-1.8818
93	G	L	-1.8902
94	L	L	0.0000
95	E	L	-2.2921
96	P	L	-1.5821
97	E	L	-1.8820
98	D	L	0.0000
99	F	L	-0.2494
100	V	L	0.0414
101	V	L	0.2563
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	A	L	-0.7689
109	S	L	-0.6469
114	S	L	-0.8900
115	P	L	0.0000
116	R	L	-0.4888
117	T	L	-0.1417
118	F	L	0.1383
119	G	L	0.0000
120	Q	L	-1.1411
121	G	L	0.0000
122	T	L	0.0000
123	K	L	-0.2107