Project name: 1HEZ

Chain sequence(s)	H: QVQLVESGGGVVQPGRSLRLSCAASGFTFSGYGMHWVRQAPGKGLEWVALISYDESNKYYADSVKGRFTISRDNSKNTLYLQMNSLRAEDTAVYYCAKVKFYDPTAPNDYWGQGTLVTVSS; L: DIQMTQSPSSLSASVGDRVTITCRTSQSISSYLNWYQQKPGKAPKLLIYAASSLQSGVPSRFSGSGSGTDFTLTISSLQPEDFATYYCQQSYSTPRTFGQGTK
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                                          (00:01:00)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:02)

• Minimal score value: -2.6166
• Maximal score value: 1.7899
• Average score: -0.4936
• Total score value: -110.5677

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	-1.4573
2	V	H	-0.8138
3	Q	H	-1.0148
4	L	H	0.0000
5	V	H	0.6111
6	E	H	0.0000
7	S	H	-0.1939
8	G	H	-0.5070
9	G	H	0.3061
11	G	H	0.9362
12	V	H	1.7899
13	V	H	0.0238
14	Q	H	-1.1525
15	P	H	-1.7702
16	G	H	-2.0451
17	R	H	-2.5882
18	S	H	-1.6286
19	L	H	-0.8428
20	R	H	-1.1943
21	L	H	0.0000
22	S	H	-0.2013
23	C	H	0.0000
24	A	H	-0.2634
25	A	H	0.0000
26	S	H	-0.9741
27	G	H	-1.0849
28	F	H	-0.4108
29	T	H	-0.2112
30	F	H	0.0000
35	S	H	-0.7861
36	G	H	0.2042
37	Y	H	0.5321
38	G	H	-0.0116
39	M	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	-0.6400
45	A	H	-1.0243
46	P	H	-0.8204
47	G	H	-1.4788
48	K	H	-2.3527
49	G	H	-1.5692
50	L	H	0.0000
51	E	H	-1.0018
52	W	H	0.0000
53	V	H	0.0000
54	A	H	0.0000
55	L	H	0.1154
56	I	H	0.0000
57	S	H	-0.5848
58	Y	H	-0.2716
59	D	H	-1.5637
62	E	H	-1.6216
63	S	H	-1.3963
64	N	H	-1.4440
65	K	H	-0.7445
66	Y	H	-0.0200
67	Y	H	-0.5760
68	A	H	0.0000
69	D	H	-2.5032
70	S	H	-1.6735
71	V	H	0.0000
72	K	H	-2.1955
74	G	H	-1.5738
75	R	H	-1.3308
76	F	H	0.0000
77	T	H	-0.6081
78	I	H	0.0000
79	S	H	-0.3803
80	R	H	0.0000
81	D	H	-1.5668
82	N	H	-1.7942
83	S	H	-1.5736
84	K	H	-2.3851
85	N	H	-1.8271
86	T	H	-0.9845
87	L	H	0.0000
88	Y	H	-0.2321
89	L	H	0.0000
90	Q	H	-0.7728
91	M	H	0.0000
92	N	H	-1.6279
93	S	H	-1.6655
94	L	H	0.0000
95	R	H	-2.2688
96	A	H	-1.5423
97	E	H	-2.1878
98	D	H	0.0000
99	T	H	-0.3067
100	A	H	0.0000
101	V	H	0.7379
102	Y	H	0.0000
103	Y	H	0.0000
104	C	H	0.0000
105	A	H	0.0000
106	K	H	0.0000
107	V	H	0.0000
108	K	H	0.2075
109	F	H	0.8416
110	Y	H	1.1647
111	D	H	-0.2503
112A	P	H	-0.1329
112	T	H	0.2344
113	A	H	0.0000
114	P	H	0.0000
115	N	H	0.0000
116	D	H	-0.0319
117	Y	H	0.1590
118	W	H	-0.2003
119	G	H	0.0000
120	Q	H	-1.2827
121	G	H	-0.2787
122	T	H	0.5307
123	L	H	1.6671
124	V	H	0.0000
125	T	H	0.5570
126	V	H	0.0000
127	S	H	-0.4263
128	S	H	-0.3119
1	D	L	-2.4294
2	I	L	0.0000
3	Q	L	-2.2236
4	M	L	0.0000
5	T	L	-1.3870
6	Q	L	0.0000
7	S	L	-0.7252
8	P	L	-0.6704
9	S	L	-0.9692
10	S	L	-0.9522
11	L	L	-0.1786
12	S	L	-0.2520
13	A	L	-0.1267
14	S	L	-0.0022
15	V	L	0.6518
16	G	L	-0.7063
17	D	L	-1.7260
18	R	L	-2.2986
19	V	L	0.0000
20	T	L	-0.6646
21	I	L	0.0000
22	T	L	-0.7915
23	C	L	0.0000
24	R	L	-2.6166
25	T	L	0.0000
26	S	L	-1.7609
27	Q	L	-1.6253
28	S	L	-0.8430
29	I	L	0.0000
36	S	L	-0.1647
37	S	L	-0.0206
38	Y	L	0.6215
39	L	L	0.0000
40	N	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	-1.6464
46	P	L	-1.1806
47	G	L	-1.6674
48	K	L	-2.6034
49	A	L	-1.5424
50	P	L	0.0000
51	K	L	-1.2983
52	L	L	0.0000
53	L	L	0.0000
54	I	L	0.0000
55	Y	L	0.3083
56	A	L	0.1770
57	A	L	0.0000
65	S	L	-0.1887
66	S	L	0.1182
67	L	L	0.3616
68	Q	L	0.0000
69	S	L	-0.3478
70	G	L	-0.5304
71	V	L	0.0000
72	P	L	-0.3691
74	S	L	-0.4030
75	R	L	-0.7151
76	F	L	0.0000
77	S	L	-0.3435
78	G	L	-0.2753
79	S	L	-0.6371
80	G	L	-0.9659
83	S	L	-0.8719
84	G	L	-0.9437
85	T	L	-1.4720
86	D	L	-1.8423
87	F	L	0.0000
88	T	L	-0.7111
89	L	L	0.0000
90	T	L	-0.6240
91	I	L	0.0000
92	S	L	-1.3024
93	S	L	-1.1888
94	L	L	0.0000
95	Q	L	-0.7209
96	P	L	-0.5305
97	E	L	-1.3075
98	D	L	0.0000
99	F	L	0.7259
100	A	L	0.0000
101	T	L	-0.7442
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	S	L	0.0000
108	Y	L	0.9167
109	S	L	0.0634
114	T	L	-0.0614
115	P	L	-0.5661
116	R	L	0.0000
117	T	L	-0.6807
118	F	L	-0.4335
119	G	L	0.0000
120	Q	L	-1.5726
121	G	L	0.0000
122	T	L	0.0000
123	K	L	-1.5312