Project name: 1HZH vhvl

Chain sequence(s)	H: QVQLVQSGAEVKKPGASVKVSCQASGYRFSNFVIHWVRQAPGQRFEWMGWINPYNGNKEFSAKFQDRVTFTADTSANTAYMELRSLRSADTAVYYCARVGPYSWDDSPQDNYYMDVWGKGTTVIVSS; L: EIVLTQSPGTLSLSPGERATFSCRSSHSIRSRRVAWYQHKPGQAPRLVIHGVSNRASGISDRFSGSGSGTDFTLTITRVEPEDFALYYCQVYGASSYTFGQGTK
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                                          (00:01:37)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:38)

• Minimal score value: -3.0516
• Maximal score value: 1.2403
• Average score: -0.6998
• Total score value: -161.6443

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	-1.4481
2	V	H	-1.0585
3	Q	H	-1.1388
4	L	H	0.0000
5	V	H	0.3406
6	Q	H	-0.3092
7	S	H	-0.6576
8	G	H	-0.4801
9	A	H	0.0955
11	E	H	0.2366
12	V	H	1.2403
13	K	H	-0.7051
14	K	H	-2.0642
15	P	H	-2.0560
16	G	H	-1.6844
17	A	H	-1.1698
18	S	H	-1.4631
19	V	H	0.0000
20	K	H	-1.8883
21	V	H	0.0000
22	S	H	-0.4531
23	C	H	0.0000
24	Q	H	-0.8692
25	A	H	0.0000
26	S	H	-1.1252
27	G	H	-1.3382
28	Y	H	-1.4428
29	R	H	-2.2676
30	F	H	0.0000
35	S	H	-1.0660
36	N	H	-1.4251
37	F	H	-0.3312
38	V	H	0.0000
39	I	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	-0.8067
45	A	H	-0.7509
46	P	H	-0.9490
47	G	H	-1.4370
48	Q	H	-2.0961
49	R	H	-1.8437
50	F	H	0.0000
51	E	H	-0.9413
52	W	H	0.0000
53	M	H	0.0000
54	G	H	0.0000
55	W	H	0.0000
56	I	H	0.0000
57	N	H	-1.0675
58	P	H	0.0000
59	Y	H	-0.0109
62	N	H	-1.4625
63	G	H	-1.4473
64	N	H	-2.0858
65	K	H	-1.5173
66	E	H	-0.6246
67	F	H	-0.1866
68	S	H	-0.7641
69	A	H	-1.2758
70	K	H	-2.2366
71	F	H	0.0000
72	Q	H	-2.2788
74	D	H	-2.7519
75	R	H	-1.9389
76	V	H	0.0000
77	T	H	-0.8169
78	F	H	0.0000
79	T	H	-0.3879
80	A	H	-0.5130
81	D	H	-0.8160
82	T	H	-0.6556
83	S	H	-0.6244
84	A	H	-0.7553
85	N	H	-1.3833
86	T	H	0.0000
87	A	H	0.0000
88	Y	H	-0.3353
89	M	H	0.0000
90	E	H	-1.1227
91	L	H	0.0000
92	R	H	-1.6580
93	S	H	-1.5223
94	L	H	0.0000
95	R	H	-2.4624
96	S	H	-1.4150
97	A	H	-0.6629
98	D	H	0.0000
99	T	H	0.0039
100	A	H	0.0000
101	V	H	0.1565
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	V	H	0.0000
108	G	H	0.0000
109	P	H	0.2338
110	Y	H	0.7323
111	S	H	0.1523
111A	W	H	0.3495
111B	D	H	-1.3880
111C	D	H	-1.0156
112D	S	H	-0.8157
112C	P	H	-0.5754
112B	Q	H	-0.4396
112A	D	H	-1.0308
112	N	H	0.0000
113	Y	H	0.0120
114	Y	H	0.0000
115	M	H	0.0000
116	D	H	-0.2801
117	V	H	-0.2548
118	W	H	0.0000
119	G	H	0.0000
120	K	H	-1.8643
121	G	H	-0.8944
122	T	H	0.0000
123	T	H	0.1678
124	V	H	0.0000
125	I	H	0.6354
126	V	H	0.0000
127	S	H	-0.7848
128	S	H	-1.0267
1	E	L	-1.5182
2	I	L	-0.5026
3	V	L	0.4171
4	L	L	0.0000
5	T	L	-0.7150
6	Q	L	0.0000
7	S	L	-0.9454
8	P	L	-0.6927
9	G	L	-1.0664
10	T	L	-0.8897
11	L	L	-0.1854
12	S	L	-0.2362
13	L	L	-0.2854
14	S	L	-0.8644
15	P	L	-1.4332
16	G	L	-1.9827
17	E	L	-2.7269
18	R	L	-3.0516
19	A	L	0.0000
20	T	L	-0.6192
21	F	L	0.0000
22	S	L	-0.8390
23	C	L	0.0000
24	R	L	-2.2371
25	S	L	0.0000
26	S	L	-0.9094
27	H	L	-1.5115
28	S	L	-1.7556
29	I	L	0.0000
30	R	L	-2.6938
36	S	L	-1.9975
37	R	L	-2.5967
38	R	L	-1.5439
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	H	L	-0.7497
45	K	L	-0.9536
46	P	L	-1.0806
47	G	L	-1.4158
48	Q	L	-1.8532
49	A	L	-1.5277
50	P	L	0.0000
51	R	L	-1.0584
52	L	L	0.0000
53	V	L	0.0000
54	I	L	0.0000
55	H	L	-1.2009
56	G	L	-1.3637
57	V	L	0.0000
65	S	L	-1.3212
66	N	L	-1.7356
67	R	L	-2.3514
68	A	L	-1.2853
69	S	L	-0.8990
70	G	L	-1.0980
71	I	L	0.0000
72	S	L	-1.4277
74	D	L	-2.2753
75	R	L	-1.8018
76	F	L	0.0000
77	S	L	-1.1337
78	G	L	-0.7583
79	S	L	-0.6795
80	G	L	-1.1583
83	S	L	-1.5965
84	G	L	-1.8015
85	T	L	-1.7565
86	D	L	-1.9222
87	F	L	0.0000
88	T	L	-0.7127
89	L	L	0.0000
90	T	L	-0.7723
91	I	L	0.0000
92	T	L	-2.1227
93	R	L	-2.8919
94	V	L	0.0000
95	E	L	-1.6244
96	P	L	-1.1725
97	E	L	-1.7116
98	D	L	0.0000
99	F	L	0.3022
100	A	L	-0.2678
101	L	L	-0.4556
102	Y	L	0.0000
103	Y	L	0.0000
104	C	L	0.0000
105	Q	L	0.0000
106	V	L	0.0000
107	Y	L	0.0000
108	G	L	-0.5816
109	A	L	-0.3086
114	S	L	-0.1525
115	S	L	-0.4445
116	Y	L	0.0000
117	T	L	-0.2095
118	F	L	0.0000
119	G	L	0.0000
120	Q	L	-1.2884
121	G	L	0.0000
122	T	L	0.0000
123	K	L	-1.5825