Project name: 1.P1D1.pdb

Chain sequence(s)	H: QVQLVESGGGLVQAGGSLRLSCAASGRTFPTYGIGWFRQAPGKEREFVAAINWSGAMTRYADSVKGRLTISRDNAKNTVYLQMNSLKPEDTAVYYCAAAVTAVIASNYDYWGQGTQVAVSS
Selected Chain(s)	H
Distance of aggregation	10 Å
FoldX usage	Yes
Dynamic mode	No
Automated mutations	No

Simulation log

[INFO]       Logger:   Verbosity set to: 2 - [INFO]                                                (00:00:01)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:01)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with H chain(s) selected             (00:00:01)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:01)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:01)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:00:56)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:57)

• Minimal score value: -3.1562
• Maximal score value: 1.9126
• Average score: -0.6579
• Total score value: -79.6114

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	-1.8676
2	V	H	0.0000
3	Q	H	-0.9936
4	L	H	0.0000
5	V	H	1.2778
6	E	H	0.1965
7	S	H	-0.4885
8	G	H	-1.0408
9	G	H	-0.6707
11	G	H	0.0061
12	L	H	1.0795
13	V	H	0.0207
14	Q	H	-1.2672
15	A	H	-1.5643
16	G	H	-1.5151
17	G	H	-1.0509
18	S	H	-1.3093
19	L	H	-0.7017
20	R	H	-1.4686
21	L	H	0.0000
22	S	H	-0.1973
23	C	H	0.0000
24	A	H	-0.0827
25	A	H	0.0000
26	S	H	-1.2583
27	G	H	-1.8716
28	R	H	-2.4355
29	T	H	-1.0794
30	F	H	0.0000
35	P	H	-0.6502
36	T	H	0.0726
37	Y	H	0.0000
38	G	H	0.0000
39	I	H	0.0000
40	G	H	0.0000
41	W	H	0.0000
42	F	H	0.0000
43	R	H	0.0000
44	Q	H	-1.6422
45	A	H	-1.6218
46	P	H	-1.2379
47	G	H	-1.7494
48	K	H	-2.8522
49	E	H	-3.1562
50	R	H	-2.2523
51	E	H	-1.3878
52	F	H	-0.5105
53	V	H	0.0000
54	A	H	0.0000
55	A	H	0.0000
56	I	H	0.0000
57	N	H	0.0000
58	W	H	0.3215
59	S	H	-0.1807
62	G	H	-0.2901
63	A	H	-0.0884
64	M	H	-0.0536
65	T	H	-0.6256
66	R	H	-1.8555
67	Y	H	-1.5186
68	A	H	-1.4676
69	D	H	-2.5634
70	S	H	-1.7349
71	V	H	0.0000
72	K	H	-2.6346
74	G	H	-1.7993
75	R	H	-1.9618
76	L	H	0.0000
77	T	H	-1.0471
78	I	H	0.0000
79	S	H	-0.3705
80	R	H	-0.9955
81	D	H	-1.8262
82	N	H	-1.6679
83	A	H	-1.4394
84	K	H	-2.3907
85	N	H	-1.8923
86	T	H	-0.9959
87	V	H	0.0000
88	Y	H	-0.3678
89	L	H	0.0000
90	Q	H	-1.1091
91	M	H	0.0000
92	N	H	-2.0411
93	S	H	-1.6208
94	L	H	0.0000
95	K	H	-2.5868
96	P	H	-1.9090
97	E	H	-2.3384
98	D	H	0.0000
99	T	H	-0.8830
100	A	H	0.0000
101	V	H	-0.4347
102	Y	H	0.0000
103	Y	H	-0.0711
104	C	H	0.0000
105	A	H	0.0000
106	A	H	0.0000
107	A	H	0.0000
108	V	H	1.0374
109	T	H	0.7917
110	A	H	1.0703
111	V	H	1.0603
112A	I	H	1.9126
112	A	H	0.6570
113	S	H	-0.4076
114	N	H	-1.0988
115	Y	H	0.0000
116	D	H	-1.2393
117	Y	H	-0.5525
118	W	H	0.0853
119	G	H	0.0000
120	Q	H	-0.8934
121	G	H	-0.4843
122	T	H	-0.7113
123	Q	H	-1.1111
124	V	H	0.0000
125	A	H	-0.2639
126	V	H	0.0000
127	S	H	-0.8420
128	S	H	-0.9115