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

Chain sequence(s)	A: DVQLRESGGGLVQAGGSLRLSCTVSTSRFSGVGRMAWYRQAPGKQREKVAEITRAGSRTYADAVKGRFTISRDNAKNTVYLQMDRLKPEDTAVYWCVRARWQSGTPRTPGTQVTVSS
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	LK11A
Energy difference between WT (input) and mutated protein (by FoldX)	0.239449 kcal/mol

Simulation log

[INFO]       Logger:   Verbosity set to: 2 - [INFO]                                                (00:00:07)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:07)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with A chain(s) selected             (00:00:07)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:07)
[INFO]       FoldX:    Starting FoldX energy minimization                                          (00:00:08)
[INFO]       FoldX:    Building mutant model                                                       (00:00:43)
[INFO]       Analysis: Starting Aggrescan4D on folded.pdb                                          (00:00:50)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:50)

• Minimal score value: -2.9866
• Maximal score value: 0.0
• Average score: -1.2583
• Total score value: -147.2224

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	-1.9032
2	V	A	-1.6456
3	Q	A	-2.0160
4	L	A	-1.8967
5	R	A	-2.2649
6	E	A	0.0000
7	S	A	-1.1863
8	G	A	-1.3271
9	G	A	-1.4978
10	G	A	-1.7007
11	K	A	-2.3065	mutated: LK11A
12	V	A	0.0000
13	Q	A	-2.1170
14	A	A	-2.0963
15	G	A	-1.8687
16	G	A	-1.7197
17	S	A	-1.8384
18	L	A	-1.8691
19	R	A	-2.3246
20	L	A	0.0000
21	S	A	-1.0017
22	C	A	0.0000
23	T	A	-1.2531
24	V	A	0.0000
25	S	A	-1.3594
26	T	A	-1.3036
27	S	A	-1.2273
28	R	A	-2.2619
29	F	A	0.0000
30	S	A	-1.7054
31	G	A	-1.7459
32	V	A	0.0000
33	G	A	-2.0351
34	R	A	-2.6192
35	M	A	0.0000
36	A	A	0.0000
37	W	A	0.0000
38	Y	A	-0.5897
39	R	A	0.0000
40	Q	A	-1.9352
41	A	A	-1.8194
42	P	A	-1.3112
43	G	A	-1.8195
44	K	A	-2.9866
45	Q	A	-2.7868
46	R	A	-2.2608
47	E	A	-2.1662
48	K	A	-1.2403
49	V	A	0.0000
50	A	A	0.0000
51	E	A	0.0000
52	I	A	0.0000
53	T	A	-2.1313
54	R	A	-2.7726
55	A	A	-1.4672
56	G	A	-1.6467
57	S	A	-1.5693
58	R	A	-1.9921
59	T	A	-1.2705
60	Y	A	-1.3091
61	A	A	-1.5409
62	D	A	-2.4048
63	A	A	-1.5999
64	V	A	0.0000
65	K	A	-2.5817
66	G	A	-2.0058
67	R	A	-2.1607
68	F	A	0.0000
69	T	A	-1.2301
70	I	A	0.0000
71	S	A	-0.8854
72	R	A	-1.6262
73	D	A	-1.6910
74	N	A	-2.3261
75	A	A	-1.4874
76	K	A	-2.2789
77	N	A	-1.9537
78	T	A	0.0000
79	V	A	0.0000
80	Y	A	-0.7722
81	L	A	0.0000
82	Q	A	-1.6985
83	M	A	0.0000
84	D	A	-2.6310
85	R	A	-2.9365
86	L	A	0.0000
87	K	A	-2.7176
88	P	A	-1.8498
89	E	A	-2.3023
90	D	A	0.0000
91	T	A	-1.3511
92	A	A	0.0000
93	V	A	-0.3743
94	Y	A	0.0000
95	W	A	-0.6207
96	C	A	0.0000
97	V	A	0.0000
98	R	A	-2.2258
99	A	A	0.0000
100	R	A	-2.6552
101	W	A	-1.6567
102	Q	A	-1.8570
103	S	A	-1.0440
104	G	A	-0.8471
105	T	A	-0.8755
106	P	A	-1.0313
107	R	A	-2.2479
108	T	A	0.0000
109	P	A	-1.0144
110	G	A	-0.9714
111	T	A	-0.9640
112	Q	A	-1.5578
113	V	A	0.0000
114	T	A	-1.5970
115	V	A	0.0000
116	S	A	-1.4419
117	S	A	-1.0431