Project name: f7e45835d8237b6 [mutate: VL11H]

Chain sequence(s)	H: EVQLVESGGGVVQPGGSLKLSCVASGTDFSINFIRWYRQAPGKQREFVAGFTATGNTNYADSMKGRFTISRDNTKNAVYLQIDSLKPEDTAVYYCYMLDKWGQGTQVTVSS
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	VL11H
Energy difference between WT (input) and mutated protein (by FoldX)	-0.723192 kcal/mol

Simulation log

[INFO]       Logger:   Verbosity set to: 2 - [INFO]                                                (00:00:02)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:02)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with H chain(s) selected             (00:00:02)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:02)
[INFO]       FoldX:    Starting FoldX energy minimization                                          (00:00:03)
[INFO]       FoldX:    Building mutant model                                                       (00:02:06)
[INFO]       Analysis: Starting Aggrescan4D on folded.pdb                                          (00:02:15)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:17)

• Minimal score value: -3.0999
• Maximal score value: 2.4097
• Average score: -0.8203
• Total score value: -91.051

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	E	H	-2.3016
2	V	H	-1.8987
3	Q	H	-1.4196
4	L	H	0.0000
5	V	H	1.3016
6	E	H	0.2939
7	S	H	-0.5501
8	G	H	-1.1711
9	G	H	-0.8351
10	G	H	0.1110
11	L	H	1.0401	mutated: VL11H
12	V	H	0.0206
13	Q	H	-1.2630
14	P	H	-1.4717
15	G	H	-1.3495
16	G	H	-0.8911
17	S	H	-1.2746
18	L	H	-0.9282
19	K	H	-1.9572
20	L	H	0.0000
21	S	H	-0.1940
22	C	H	0.0000
23	V	H	0.2084
24	A	H	0.0000
25	S	H	-1.2375
26	G	H	-1.7804
27	T	H	-1.3729
28	D	H	-1.5862
29	F	H	0.0000
30	S	H	-0.0248
31	I	H	1.8209
32	N	H	0.0000
33	F	H	2.4097
34	I	H	0.0000
35	R	H	-0.1025
36	W	H	0.0000
37	Y	H	-0.6233
38	R	H	-1.2463
39	Q	H	-2.0204
40	A	H	-1.8612
41	P	H	-1.3537
42	G	H	-1.8477
43	K	H	-3.0999
44	Q	H	-3.0258
45	R	H	-2.6592
46	E	H	-1.9641
47	F	H	-0.7040
48	V	H	0.0000
49	A	H	0.0000
50	G	H	0.0000
51	F	H	-0.3143
52	T	H	-0.4123
53	A	H	0.2805
54	T	H	-0.6120
55	G	H	-0.6682
56	N	H	-1.6532
57	T	H	-1.0599
58	N	H	-1.5330
59	Y	H	-1.2433
60	A	H	-1.4254
61	D	H	-2.5159
62	S	H	-1.6452
63	M	H	0.0000
64	K	H	-2.7072
65	G	H	-1.8543
66	R	H	-1.5504
67	F	H	0.0000
68	T	H	-0.9860
69	I	H	0.0000
70	S	H	-0.6337
71	R	H	-1.4636
72	D	H	-2.2380
73	N	H	-2.6128
74	T	H	-1.9107
75	K	H	-2.5162
76	N	H	-2.0758
77	A	H	0.0000
78	V	H	0.0000
79	Y	H	-0.5674
80	L	H	0.0000
81	Q	H	-1.1826
82	I	H	0.0000
83	D	H	-1.6773
84	S	H	-1.3183
85	L	H	0.0000
86	K	H	-2.0338
87	P	H	-1.7639
88	E	H	-2.1979
89	D	H	0.0000
90	T	H	-0.8968
91	A	H	0.0000
92	V	H	-0.7130
93	Y	H	0.0000
94	Y	H	-0.3292
95	C	H	0.0000
96	Y	H	-0.1983
97	M	H	0.0000
98	L	H	0.3254
99	D	H	-1.4740
100	K	H	-1.4938
101	W	H	-0.4413
102	G	H	-0.1548
103	Q	H	-1.0395
104	G	H	-0.5455
105	T	H	0.0000
106	Q	H	-1.2432
107	V	H	0.0000
108	T	H	-0.3023
109	V	H	0.0000
110	S	H	-0.8030
111	S	H	-0.8404