Project name: 8.P2H9.pdb

Chain sequence(s)	H: QVQLVESGGGLVQAGGSLKLSCAASGNIFKNLHMGWYRQAPGKQRELVAIITDTSVTNYADSVKGRFTISRDNTKNTAYLQMNNLKPEDTAVYYCNARLPNIVWGRGTQVTVSS
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                                          (00:01:33)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:34)

• Minimal score value: -3.1299
• Maximal score value: 1.2087
• Average score: -0.7844
• Total score value: -89.4195

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	-1.6005
2	V	H	-1.1546
3	Q	H	-1.3458
4	L	H	0.0000
5	V	H	0.0887
6	E	H	0.0000
7	S	H	-0.6768
8	G	H	-1.0371
9	G	H	-0.5676
11	G	H	0.0951
12	L	H	1.1685
13	V	H	0.0871
14	Q	H	-1.3432
15	A	H	-1.6824
16	G	H	-1.8156
17	G	H	-1.2008
18	S	H	-1.3670
19	L	H	-0.8403
20	K	H	-1.7255
21	L	H	0.0000
22	S	H	-0.3058
23	C	H	0.0000
24	A	H	-0.4539
25	A	H	0.0000
26	S	H	-1.2975
27	G	H	-1.8682
28	N	H	-2.2570
29	I	H	0.0000
30	F	H	0.0000
35	K	H	-3.1299
36	N	H	-2.4292
37	L	H	-1.2264
38	H	H	-0.8206
39	M	H	0.0000
40	G	H	0.0000
41	W	H	0.0000
42	Y	H	0.2587
43	R	H	0.0000
44	Q	H	-1.4137
45	A	H	-1.5248
46	P	H	-1.2259
47	G	H	-1.7277
48	K	H	-2.8178
49	Q	H	-2.6083
50	R	H	-1.8002
51	E	H	-1.2100
52	L	H	0.0573
53	V	H	0.0000
54	A	H	0.0000
55	I	H	0.2075
56	I	H	0.0000
57	T	H	-0.6319
58	D	H	-1.4642
59	T	H	-0.3506
63	S	H	0.1530
64	V	H	1.2087
65	T	H	0.1398
66	N	H	-1.1387
67	Y	H	-1.3884
68	A	H	-1.4854
69	D	H	-2.6922
70	S	H	-1.8242
71	V	H	0.0000
72	K	H	-2.8734
74	G	H	-1.9064
75	R	H	-1.8347
76	F	H	0.0000
77	T	H	-0.8710
78	I	H	0.0000
79	S	H	-0.1145
80	R	H	-1.2579
81	D	H	-1.6318
82	N	H	-2.1858
83	T	H	-1.6436
84	K	H	-2.2601
85	N	H	-2.1179
86	T	H	0.0000
87	A	H	0.0000
88	Y	H	-0.2367
89	L	H	0.0000
90	Q	H	-0.9762
91	M	H	0.0000
92	N	H	-1.8353
93	N	H	-2.3183
94	L	H	0.0000
95	K	H	-2.6905
96	P	H	-1.9273
97	E	H	-2.3813
98	D	H	0.0000
99	T	H	-0.8052
100	A	H	0.0000
101	V	H	-0.2135
102	Y	H	0.0000
103	Y	H	-0.0910
104	C	H	0.0000
105	N	H	0.0000
106	A	H	0.0000
107	R	H	-0.0771
108	L	H	0.7450
114	P	H	-0.0592
115	N	H	-0.5386
116	I	H	0.5643
117	V	H	0.1649
118	W	H	0.1398
119	G	H	-0.5173
120	R	H	-1.7011
121	G	H	-0.7813
122	T	H	-0.7123
123	Q	H	-0.6986
124	V	H	0.0000
125	T	H	-0.1608
126	V	H	0.0000
127	S	H	-0.7895
128	S	H	-0.8400