Project name: 181

Chain sequence(s)	H: QVQLQESGGGSVQAGGSLRLSCAASGSTYSSNCMGWFRQAPGKEREEVASMSIRSSNAYYSDSVKGRFTISHDGSKNTLYLQMNSLKAEDTAMYYCAAAYGGSRCDYNYRGQGTQVTVSS
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]                                                (00:00:00)
[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 H 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                                          (00:01:05)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:06)

• Minimal score value: -3.3182
• Maximal score value: 0.9705
• Average score: -0.935
• Total score value: -112.1981

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	-1.7959
2	V	H	0.0000
3	Q	H	-2.0923
4	L	H	-1.7968
5	Q	H	-1.9115
6	E	H	0.0000
7	S	H	-0.8870
8	G	H	-0.9144
9	G	H	-0.8609
11	G	H	-0.6868
12	S	H	-0.5801
13	V	H	-0.7243
14	Q	H	-1.5796
15	A	H	-1.5636
16	G	H	-1.3112
17	G	H	-1.0808
18	S	H	-1.0350
19	L	H	-0.6998
20	R	H	-1.2760
21	L	H	0.0000
22	S	H	-0.5698
23	C	H	0.0000
24	A	H	-1.0567
25	A	H	0.0000
26	S	H	-1.3062
27	G	H	-1.0666
28	S	H	-0.5464
29	T	H	0.0176
30	Y	H	0.9705
35	S	H	0.3838
36	S	H	-0.0614
37	N	H	0.0000
38	C	H	0.0000
39	M	H	0.0000
40	G	H	0.0000
41	W	H	0.0000
42	F	H	-0.9724
43	R	H	0.0000
44	Q	H	-1.9097
45	A	H	-1.7065
46	P	H	-1.2675
47	G	H	-1.7849
48	K	H	-2.8937
49	E	H	-3.3182
50	R	H	-2.5354
51	E	H	-2.3050
52	E	H	-2.2906
53	V	H	0.0000
54	A	H	0.0000
55	S	H	0.0000
56	M	H	0.0000
57	S	H	-0.6223
58	I	H	-0.7918
59	R	H	-1.7961
62	S	H	-1.2906
63	S	H	-1.1288
64	N	H	-1.0739
65	A	H	0.1506
66	Y	H	0.5011
67	Y	H	-0.5132
68	S	H	-1.4981
69	D	H	-2.5272
70	S	H	-1.9659
71	V	H	0.0000
72	K	H	-2.3018
74	G	H	-1.6774
75	R	H	-1.5247
76	F	H	0.0000
77	T	H	-0.5208
78	I	H	0.0000
79	S	H	-0.3055
80	H	H	-0.7068
81	D	H	-1.3021
82	G	H	-1.5366
83	S	H	-1.4744
84	K	H	-2.2839
85	N	H	-1.4502
86	T	H	-1.1628
87	L	H	0.0000
88	Y	H	-0.1982
89	L	H	0.0000
90	Q	H	-0.7787
91	M	H	0.0000
92	N	H	-1.2075
93	S	H	-1.1889
94	L	H	0.0000
95	K	H	-2.0766
96	A	H	-1.5838
97	E	H	-2.1116
98	D	H	0.0000
99	T	H	-0.9937
100	A	H	0.0000
101	M	H	-0.3452
102	Y	H	0.0000
103	Y	H	-0.9469
104	C	H	0.0000
105	A	H	0.0000
106	A	H	0.0000
107	A	H	0.0000
108	Y	H	-0.2281
109	G	H	-1.4026
110	G	H	-1.2815
111	S	H	-1.5863
112	R	H	-2.5968
113	C	H	-2.0043
114	D	H	-2.6131
115	Y	H	-1.7925
116	N	H	-1.9694
117	Y	H	-1.9034
118	R	H	-2.2584
119	G	H	0.0000
120	Q	H	-1.7428
121	G	H	-1.1561
122	T	H	-0.8346
123	Q	H	-0.8170
124	V	H	0.0000
125	T	H	-0.8002
126	V	H	0.0000
127	S	H	-1.1087
128	S	H	-0.8529