Project name: 69c9727f695a1c7 [mutate: VR5A] [mutate: LK11A] [mutate: YH38A]

Chain sequence(s)	A: DVQLRESGGGKVQAGGSLRLSCTVSTSRFSGVGRMAWYRQAPGKQREKVAEITRAGSRTYADAVKGRFTISRDNAKNTVYLQMDRLKPEDTAVYWCVRARWQSGTPRTPGTQVTVSS
Selected Chain(s)	A
Distance of aggregation	10 Å
FoldX usage	Yes
pH calculations	No
alphaCutter usage	No
Dynamic mode	No
Automated mutations	No
Mutated residues	YH38A
Energy difference between WT (input) and mutated protein (by FoldX)	1.96256 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 A 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                                                       (00:00:41)
[INFO]       Analysis: Starting Aggrescan4D on folded.pdb                                          (00:00:46)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:46)

• Minimal score value: -2.9894
• Maximal score value: 0.0
• Average score: -1.2863
• Total score value: -150.5008

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	D	A	-1.9009
2	V	A	-1.6415
3	Q	A	-2.0050
4	L	A	-1.8917
5	R	A	-2.2603
6	E	A	0.0000
7	S	A	-1.1869
8	G	A	-1.3278
9	G	A	-1.4980
10	G	A	-1.7009
11	K	A	-2.3059
12	V	A	0.0000
13	Q	A	-2.1173
14	A	A	-2.0983
15	G	A	-1.8745
16	G	A	-1.7219
17	S	A	-1.8398
18	L	A	-1.8704
19	R	A	-2.3279
20	L	A	0.0000
21	S	A	-1.0011
22	C	A	0.0000
23	T	A	-1.2523
24	V	A	0.0000
25	S	A	-1.3561
26	T	A	-1.3026
27	S	A	-1.2283
28	R	A	-2.2654
29	F	A	0.0000
30	S	A	-1.7137
31	G	A	-1.7528
32	V	A	0.0000
33	G	A	-2.0566
34	R	A	-2.6537
35	M	A	0.0000
36	A	A	0.0000
37	W	A	0.0000
38	H	A	-0.8971	mutated: YH38A
39	R	A	0.0000
40	Q	A	-2.0115
41	A	A	-1.8227
42	P	A	-1.3122
43	G	A	-1.8203
44	K	A	-2.9894
45	Q	A	-2.7914
46	R	A	-2.3556
47	E	A	-2.3159
48	K	A	-1.4706
49	V	A	0.0000
50	A	A	0.0000
51	E	A	0.0000
52	I	A	0.0000
53	T	A	-2.1442
54	R	A	-2.7816
55	A	A	-1.4702
56	G	A	-1.6487
57	S	A	-1.5732
58	R	A	-1.9945
59	T	A	-1.2814
60	Y	A	-1.3243
61	A	A	-1.5929
62	D	A	-2.4032
63	A	A	-1.5979
64	V	A	0.0000
65	K	A	-2.5797
66	G	A	-2.0043
67	R	A	-2.1595
68	F	A	0.0000
69	T	A	-1.2320
70	I	A	0.0000
71	S	A	-0.8816
72	R	A	-1.6197
73	D	A	-1.6991
74	N	A	-2.3479
75	A	A	-1.4990
76	K	A	-2.2871
77	N	A	-1.9639
78	T	A	0.0000
79	V	A	0.0000
80	Y	A	-0.7721
81	L	A	0.0000
82	Q	A	-1.7057
83	M	A	0.0000
84	D	A	-2.6331
85	R	A	-2.9387
86	L	A	0.0000
87	K	A	-2.7186
88	P	A	-1.8498
89	E	A	-2.3018
90	D	A	0.0000
91	T	A	-1.3511
92	A	A	0.0000
93	V	A	-0.4147
94	Y	A	0.0000
95	W	A	-0.7210
96	C	A	0.0000
97	V	A	0.0000
98	R	A	-2.2544
99	A	A	-2.0708
100	R	A	-2.6470
101	W	A	-1.6202
102	Q	A	-1.8375
103	S	A	-1.0294
104	G	A	-0.8318
105	T	A	-0.8682
106	P	A	-1.0513
107	R	A	-2.2450
108	T	A	0.0000
109	P	A	-1.0135
110	G	A	-1.0005
111	T	A	-0.9639
112	Q	A	-1.5581
113	V	A	0.0000
114	T	A	-1.5963
115	V	A	0.0000
116	S	A	-1.4396
117	S	A	-1.0425