Project name: 12.P2E2.pdb

Chain sequence(s)	H: QVQLVESGGGLVQAGGSVRLSCAASGRTFITYTMGWFRQAPGKERDFVAGISWSGSSTHYADSVKGRFTISRDNAKNTVYLQMNSLKPEDTAVYYCAAQRGATVRVDGPYDYWGQGTQVTVSS
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                                          (00:01:26)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:27)

• Minimal score value: -3.7594
• Maximal score value: 1.1506
• Average score: -0.7717
• Total score value: -94.9185

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	-1.9931
2	V	H	0.0000
3	Q	H	-1.6213
4	L	H	0.0000
5	V	H	0.6630
6	E	H	0.0000
7	S	H	-0.4836
8	G	H	-0.9647
9	G	H	-0.5308
11	G	H	0.1903
12	L	H	1.1506
13	V	H	0.0720
14	Q	H	-1.2438
15	A	H	-1.6132
16	G	H	-1.3368
17	G	H	-0.9271
18	S	H	-1.0320
19	V	H	-0.4967
20	R	H	-1.2412
21	L	H	0.0000
22	S	H	-0.2655
23	C	H	0.0000
24	A	H	-0.3025
25	A	H	0.0000
26	S	H	-1.4864
27	G	H	-2.1519
28	R	H	-2.3526
29	T	H	-1.1749
30	F	H	0.0000
35	I	H	0.5570
36	T	H	0.0247
37	Y	H	-0.1029
38	T	H	0.0000
39	M	H	0.0000
40	G	H	0.0000
41	W	H	0.0000
42	F	H	0.0000
43	R	H	-1.5104
44	Q	H	-2.2284
45	A	H	-1.9977
46	P	H	-1.3120
47	G	H	-1.8923
48	K	H	-3.4547
49	E	H	-3.7594
50	R	H	-3.3274
51	D	H	-3.4615
52	F	H	-1.5903
53	V	H	0.0000
54	A	H	0.0000
55	G	H	0.0000
56	I	H	0.0000
57	S	H	0.1768
58	W	H	0.5448
59	S	H	-0.0105
62	G	H	-0.3110
63	S	H	-0.3668
64	S	H	-0.3763
65	T	H	-0.2082
66	H	H	-0.8172
67	Y	H	-1.2211
68	A	H	-1.8237
69	D	H	-2.5893
70	S	H	-1.8497
71	V	H	0.0000
72	K	H	-2.7186
74	G	H	-1.8071
75	R	H	-1.5683
76	F	H	0.0000
77	T	H	-0.7686
78	I	H	0.0000
79	S	H	-0.4127
80	R	H	-0.6355
81	D	H	-1.2115
82	N	H	-0.8645
83	A	H	-1.0281
84	K	H	-2.0109
85	N	H	-1.5206
86	T	H	-0.7104
87	V	H	0.0000
88	Y	H	-0.3594
89	L	H	0.0000
90	Q	H	-0.8239
91	M	H	0.0000
92	N	H	-1.2449
93	S	H	-1.1925
94	L	H	0.0000
95	K	H	-2.3750
96	P	H	-1.8727
97	E	H	-2.3548
98	D	H	0.0000
99	T	H	-0.7871
100	A	H	0.0000
101	V	H	-0.2723
102	Y	H	0.0000
103	Y	H	-0.2712
104	C	H	0.0000
105	A	H	0.0000
106	A	H	0.0000
107	Q	H	0.0000
108	R	H	-1.9689
109	G	H	-0.9876
110	A	H	-0.4499
111	T	H	-0.5564
111A	V	H	-0.4916
112B	R	H	-1.5545
112A	V	H	-0.1068
112	D	H	-2.0301
113	G	H	-1.2091
114	P	H	-0.9687
115	Y	H	0.0000
116	D	H	-1.1877
117	Y	H	-0.6138
118	W	H	0.0580
119	G	H	-0.1866
120	Q	H	-0.8930
121	G	H	0.0000
122	T	H	-0.5079
123	Q	H	-0.5101
124	V	H	0.0000
125	T	H	-0.1694
126	V	H	0.0000
127	S	H	-0.8041
128	S	H	-0.9200