Project name: vhh4 [mutate: GE44H, WY57H] [mutate: EG44H]

Chain sequence(s)	H: EVQLVESGGGLVQPGGSLRLSCAASGATFGNYGMGWFRQAPGKERELVAAITSNGFYGYYPDSVEGRFTISRDNAKRMVYLQMNSLRAEDTAVYYCNARDSRFGKNGLDDYRAWGQGTQVTVSS
Selected Chain(s)	H
Distance of aggregation	10 Å
FoldX usage	Yes
Dynamic mode	No
Automated mutations	No
Mutated residues	EG44H
Energy difference between WT (input) and mutated protein (by FoldX)	0.346133 kcal/mol

Simulation log

[INFO]       Logger:   Verbosity set to: 2 - [INFO]                                                (00:00:09)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:09)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with H chain(s) selected             (00:00:09)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:09)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:09)
[INFO]       FoldX:    Building mutant model                                                       (00:00:37)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:43)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:01:10)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:11)

• Minimal score value: -3.0254
• Maximal score value: 2.1552
• Average score: -0.841
• Total score value: -104.2801

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	E	H	-2.4458
2	V	H	0.0000
3	Q	H	-1.4662
4	L	H	0.0000
5	V	H	1.2632
6	E	H	0.0000
7	S	H	-0.5583
8	G	H	-1.1965
9	G	H	-0.7940
10	G	H	-0.1061
11	L	H	1.0059
12	V	H	0.0269
13	Q	H	-1.2476
14	P	H	-1.4899
15	G	H	-1.4136
16	G	H	-0.9888
17	S	H	-1.4352
18	L	H	-1.0430
19	R	H	-2.3323
20	L	H	0.0000
21	S	H	-0.4064
22	C	H	0.0000
23	A	H	-0.0752
24	A	H	0.0000
25	S	H	-1.1252
26	G	H	-1.4259
27	A	H	-1.1700
28	T	H	-1.2025
29	F	H	0.0000
30	G	H	-1.9268
31	N	H	-2.0913
32	Y	H	0.0000
33	G	H	-0.8908
34	M	H	0.0000
35	G	H	0.0000
36	W	H	0.0000
37	F	H	0.0000
38	R	H	-1.3667
39	Q	H	-1.8498
40	A	H	-1.7975
41	P	H	-1.1896
42	G	H	-1.6758
43	K	H	-2.8000
44	G	H	-2.4321	mutated: EG44H
45	R	H	-2.4793
46	E	H	-2.6085
47	L	H	-0.6787
48	V	H	0.0000
49	A	H	0.0000
50	A	H	0.5485
51	I	H	0.0000
52	T	H	0.2959
53	S	H	-1.1437
54	N	H	-0.9113
55	G	H	0.2104
56	F	H	2.1041
57	Y	H	2.1552
58	G	H	1.2873
59	Y	H	1.1259
60	Y	H	-0.3186
61	P	H	-1.3364
62	D	H	-2.4992
63	S	H	-1.8869
64	V	H	0.0000
65	E	H	-2.6159
66	G	H	-1.9597
67	R	H	-1.8471
68	F	H	0.0000
69	T	H	-0.9799
70	I	H	0.0000
71	S	H	-0.2570
72	R	H	0.0000
73	D	H	-2.4991
74	N	H	-3.0254
75	A	H	-1.9804
76	K	H	-2.7817
77	R	H	-2.5513
78	M	H	-1.2862
79	V	H	0.0000
80	Y	H	0.0000
81	L	H	0.0000
82	Q	H	-1.6656
83	M	H	0.0000
84	N	H	-1.9566
85	S	H	-1.4013
86	L	H	0.0000
87	R	H	-2.2299
88	A	H	-1.6582
89	E	H	-2.2109
90	D	H	0.0000
91	T	H	-0.8448
92	A	H	0.0000
93	V	H	-0.4291
94	Y	H	0.0000
95	Y	H	-0.2592
96	C	H	0.0000
97	N	H	0.0000
98	A	H	0.0000
99	R	H	-1.5043
100	D	H	0.0000
101	S	H	-1.5837
102	R	H	-1.8587
103	F	H	-0.6846
104	G	H	-1.7859
105	K	H	-2.7034
106	N	H	-2.2897
107	G	H	-1.3899
108	L	H	-0.6396
109	D	H	-2.1725
110	D	H	-2.0726
111	Y	H	-1.1818
112	R	H	-2.0129
113	A	H	0.0000
114	W	H	-0.1484
115	G	H	-0.0729
116	Q	H	-0.6496
117	G	H	0.0000
118	T	H	-0.6661
119	Q	H	-0.9888
120	V	H	0.0000
121	T	H	-0.2656
122	V	H	0.0000
123	S	H	-0.7318
124	S	H	-0.6558