Project name: 6326-7

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

• Minimal score value: -3.1527
• Maximal score value: 1.2825
• Average score: -0.7321
• Total score value: -86.3921

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	-1.5307
2	V	H	-1.1616
3	Q	H	-1.1206
4	L	H	0.0000
5	V	H	1.2825
6	E	H	0.2166
7	S	H	-0.5574
8	G	H	-1.1639
9	G	H	-0.8625
11	G	H	-0.1445
12	L	H	1.0282
13	V	H	0.1152
14	Q	H	-1.2205
15	A	H	-1.3628
16	G	H	-1.2967
17	G	H	-0.8554
18	S	H	-1.0304
19	L	H	-0.5021
20	R	H	-1.3341
21	L	H	0.0000
22	S	H	-0.2767
23	C	H	0.0000
24	A	H	-0.4150
25	A	H	0.0000
26	S	H	-1.0390
27	G	H	-1.0060
28	S	H	-0.3839
29	I	H	0.0000
30	F	H	1.1914
35	G	H	0.3742
36	I	H	0.0000
37	A	H	0.0865
38	F	H	-0.0156
39	M	H	0.0000
40	G	H	0.0000
41	W	H	0.0000
42	Y	H	0.2439
43	R	H	0.0000
44	Q	H	-1.6457
45	A	H	-1.7221
46	P	H	-1.1991
47	G	H	-1.8343
48	K	H	-3.0175
49	E	H	-3.1527
50	R	H	-2.0271
51	E	H	-1.1928
52	V	H	0.1074
53	V	H	0.0000
54	A	H	0.0000
55	E	H	-0.3381
56	I	H	0.0000
57	H	H	-1.0669
58	S	H	-1.1734
59	D	H	-2.0881
63	G	H	-1.4885
64	S	H	-1.1872
65	T	H	-0.9138
66	N	H	-1.2345
67	Y	H	-1.0067
68	A	H	-1.2498
69	D	H	-2.4343
70	S	H	-1.7089
71	V	H	0.0000
72	Q	H	-2.2441
74	G	H	-1.5364
75	R	H	-1.5239
76	F	H	0.0000
77	T	H	-0.8355
78	I	H	0.0000
79	S	H	-0.7464
80	R	H	-1.7164
81	D	H	-2.7472
82	N	H	-2.4648
83	A	H	-1.8709
84	K	H	-3.0092
85	D	H	-2.4724
86	T	H	0.0000
87	L	H	0.0000
88	Y	H	-0.5665
89	L	H	0.0000
90	E	H	-1.0691
91	M	H	0.0000
92	N	H	-1.3687
93	S	H	-1.1908
94	L	H	0.0000
95	K	H	-2.2195
96	P	H	-1.8247
97	E	H	-2.2878
98	D	H	0.0000
99	T	H	-0.9310
100	A	H	0.0000
101	V	H	-0.5355
102	Y	H	0.0000
103	Y	H	0.2021
104	C	H	0.0000
105	N	H	0.0000
106	A	H	0.0000
107	Q	H	-0.3563
108	T	H	-0.2370
109	G	H	0.0578
110	L	H	0.9502
112	S	H	-0.1178
113	A	H	-0.6058
114	D	H	-1.7314
115	S	H	-1.0501
116	G	H	-0.7649
117	S	H	-0.6696
118	W	H	0.1938
119	G	H	0.0000
120	P	H	-0.0912
121	G	H	-0.1755
122	T	H	-0.8571
123	R	H	-1.6816
124	V	H	0.0000
125	T	H	-0.3861
126	V	H	0.0000
127	S	H	-0.7621
128	S	H	-0.8337