Project name: 8e340a6387c1046 [mutate: LQ100H, VS107H]

Chain sequence(s)	H: QVQLVESGGGLVQPGGSLRLSCAASGGDFSQYSLGWFRQAPGQGLEAVAAISADGSTTYYADSVKGRFTISRDNSKNTLYLQMNSLRAEDTAVYYCAAGLDTGSTFVFSYWGQGTLVTVS
Selected Chain(s)	H
Distance of aggregation	10 Å
FoldX usage	Yes
pH calculations	No
alphaCutter usage	No
Dynamic mode	No
Automated mutations	No
Mutated residues	VS107H,LQ100H
Energy difference between WT (input) and mutated protein (by FoldX)	1.21083 kcal/mol CAUTION: Your mutation/s can destabilize the protein structure

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 minimization                                          (00:00:01)
[INFO]       FoldX:    Building mutant model                                                       (00:01:21)
[INFO]       Analysis: Starting Aggrescan4D on folded.pdb                                          (00:01:29)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:30)

• Minimal score value: -3.1606
• Maximal score value: 1.6249
• Average score: -0.7114
• Total score value: -85.3654

The table below lists A4D score for protein residues. Residues with A4D score > 0.0000 are marked by yellow rows.

residue index	residue name	chain	Aggrescan4D score	mutation
1	Q	H	-2.0113
2	V	H	0.0000
3	Q	H	-1.3301
4	L	H	0.0000
5	V	H	1.2250
6	E	H	0.0000
7	S	H	-0.2077
8	G	H	-0.8051
9	G	H	0.1155
10	G	H	0.7009
11	L	H	1.4324
12	V	H	-0.0716
13	Q	H	-1.3803
14	P	H	-1.7219
15	G	H	-1.4997
16	G	H	-0.9922
17	S	H	-1.2102
18	L	H	-0.8602
19	R	H	-2.1199
20	L	H	0.0000
21	S	H	-0.4089
22	C	H	0.0000
23	A	H	-0.0441
24	A	H	0.0000
25	S	H	-1.4495
26	G	H	-1.9550
27	G	H	-2.3808
28	D	H	-2.8149
29	F	H	0.0000
30	S	H	-2.4031
31	Q	H	-2.3086
32	Y	H	-1.7262
33	S	H	0.0000
34	L	H	0.0000
35	G	H	0.0000
36	W	H	0.0000
37	F	H	-0.0109
38	R	H	-0.3683
39	Q	H	-0.7887
40	A	H	-1.0777
41	P	H	-0.9963
42	G	H	-1.2537
43	Q	H	-1.8844
44	G	H	-1.2479
45	L	H	-0.3713
46	E	H	-1.4881
47	A	H	-0.4395
48	V	H	0.0000
49	A	H	0.0000
50	A	H	0.0000
51	I	H	0.0000
52	S	H	-1.1398
53	A	H	-1.8147
54	D	H	-2.4055
55	G	H	-1.4979
56	S	H	-0.8962
57	T	H	-0.3602
58	T	H	0.3470
59	Y	H	0.5357
60	Y	H	-0.3955
61	A	H	-1.3426
62	D	H	-2.3566
63	S	H	-1.7968
64	V	H	0.0000
65	K	H	-2.3879
66	G	H	-1.6225
67	R	H	0.0000
68	F	H	0.0000
69	T	H	-0.7302
70	I	H	0.0000
71	S	H	-0.5655
72	R	H	0.0000
73	D	H	-2.4449
74	N	H	-3.1606
75	S	H	-2.0650
76	K	H	-2.7283
77	N	H	-2.4457
78	T	H	-1.2408
79	L	H	0.0000
80	Y	H	0.0000
81	L	H	0.0000
82	Q	H	-1.2600
83	M	H	0.0000
84	N	H	-1.3464
85	S	H	-1.2299
86	L	H	0.0000
87	R	H	-2.7003
88	A	H	-1.9328
89	E	H	-2.3932
90	D	H	0.0000
91	T	H	-0.4978
92	A	H	0.0000
93	V	H	0.9398
94	Y	H	0.0000
95	Y	H	0.4103
96	C	H	0.0000
97	A	H	0.0000
98	A	H	0.0000
99	G	H	0.0000
100	Q	H	-1.8249	mutated: LQ100H
101	D	H	-1.8263
102	T	H	-1.1566
103	G	H	-1.0319
104	S	H	-0.5396
105	T	H	-0.6396
106	F	H	-0.6304
107	S	H	-0.6462	mutated: VS107H
108	F	H	-0.0946
109	S	H	-0.0320
110	Y	H	-0.0673
111	W	H	0.4524
112	G	H	0.0062
113	Q	H	-0.6346
114	G	H	0.1705
115	T	H	0.6453
116	L	H	1.6249
117	V	H	0.0000
118	T	H	0.3515
119	V	H	0.0000
120	S	H	-0.8131