Project name: vhh4 [mutate: GE44H, WY57H]

Chain sequence(s)	H: EVQLVESGGGLVQPGGSLRLSCAASGATFGNYGMGWFRQAPGKGRELVAAITSNGFWGYYPDSVEGRFTISRDNAKRMVYLQMNSLRAEDTAVYYCNARDSRFGKNGLDDYRAWGQGTQVTVSS
Selected Chain(s)	H
Distance of aggregation	10 Å
FoldX usage	Yes
Dynamic mode	No
Automated mutations	No
Mutated residues	WY57H,GE44H
Energy difference between WT (input) and mutated protein (by FoldX)	-0.0175553 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                                                       (00:01:13)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:01:22)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:01:57)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:58)

• Minimal score value: -3.6549
• Maximal score value: 2.158
• Average score: -0.8685
• Total score value: -107.6936

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	-2.4485
2	V	H	0.0000
3	Q	H	-1.4672
4	L	H	0.0000
5	V	H	1.2641
6	E	H	0.0000
7	S	H	-0.5583
8	G	H	-1.1966
9	G	H	-0.7939
10	G	H	-0.1066
11	L	H	1.0049
12	V	H	0.0287
13	Q	H	-1.2435
14	P	H	-1.4781
15	G	H	-1.4019
16	G	H	-0.9785
17	S	H	-1.4243
18	L	H	-1.0411
19	R	H	-2.3335
20	L	H	0.0000
21	S	H	-0.4079
22	C	H	0.0000
23	A	H	-0.0752
24	A	H	0.0000
25	S	H	-1.1245
26	G	H	-1.4320
27	A	H	-1.1743
28	T	H	-1.2062
29	F	H	0.0000
30	G	H	-1.9282
31	N	H	-2.0952
32	Y	H	0.0000
33	G	H	-0.8877
34	M	H	0.0000
35	G	H	0.0000
36	W	H	0.0000
37	F	H	0.0000
38	R	H	-1.4725
39	Q	H	-2.0951
40	A	H	-2.0153
41	P	H	-1.3692
42	G	H	-1.9430
43	K	H	-3.4133
44	E	H	-3.6549	mutated: GE44H
45	R	H	-2.8974
46	E	H	-2.8304
47	L	H	-0.7598
48	V	H	0.0000
49	A	H	0.0000
50	A	H	0.5488
51	I	H	0.0000
52	T	H	0.3000
53	S	H	-1.1380
54	N	H	-0.8968
55	G	H	0.2180
56	F	H	2.1089
57	Y	H	2.1580	mutated: WY57H
58	G	H	1.2883
59	Y	H	1.1244
60	Y	H	-0.3210
61	P	H	-1.3380
62	D	H	-2.4994
63	S	H	-1.8868
64	V	H	0.0000
65	E	H	-2.6152
66	G	H	-1.9551
67	R	H	-1.8378
68	F	H	0.0000
69	T	H	-0.9803
70	I	H	0.0000
71	S	H	-0.2586
72	R	H	0.0000
73	D	H	-2.4985
74	N	H	-3.0251
75	A	H	-1.9819
76	K	H	-2.7834
77	R	H	-2.5560
78	M	H	-1.2879
79	V	H	0.0000
80	Y	H	0.0000
81	L	H	0.0000
82	Q	H	-1.6703
83	M	H	0.0000
84	N	H	-1.9356
85	S	H	-1.3826
86	L	H	0.0000
87	R	H	-2.1985
88	A	H	-1.6443
89	E	H	-2.2015
90	D	H	0.0000
91	T	H	-0.8324
92	A	H	0.0000
93	V	H	-0.3812
94	Y	H	0.0000
95	Y	H	-0.2227
96	C	H	0.0000
97	N	H	0.0000
98	A	H	0.0000
99	R	H	-1.5027
100	D	H	0.0000
101	S	H	-1.5947
102	R	H	-1.8702
103	F	H	-0.7022
104	G	H	-1.8093
105	K	H	-2.7173
106	N	H	-2.2973
107	G	H	-1.3955
108	L	H	-0.6469
109	D	H	-2.1774
110	D	H	-2.0798
111	Y	H	-1.1839
112	R	H	-2.0162
113	A	H	0.0000
114	W	H	-0.1483
115	G	H	-0.0729
116	Q	H	-0.6492
117	G	H	0.0000
118	T	H	-0.6651
119	Q	H	-0.9826
120	V	H	0.0000
121	T	H	-0.2623
122	V	H	0.0000
123	S	H	-0.7276
124	S	H	-0.6533