Project name: 69c9727f695a1c7 [mutate: VR5A]

Chain sequence(s)	A: DVQLVESGGGLVQAGGSLRLSCTVSTSRFSGVGRMAWYRQAPGKQREKVAEITRAGSRTYADAVKGRFTISRDNAKNTVYLQMDRLKPEDTAVYWCVRARWQSGTPRTPGTQVTVSS
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	VR5A
Energy difference between WT (input) and mutated protein (by FoldX)	-0.603182 kcal/mol

Simulation log

[INFO]       Logger:   Verbosity set to: 2 - [INFO]                                                (00:00:04)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:04)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with A chain(s) selected             (00:00:04)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:04)
[INFO]       FoldX:    Starting FoldX energy minimization                                          (00:00:05)
[INFO]       FoldX:    Building mutant model                                                       (00:00:41)
[INFO]       Analysis: Starting Aggrescan4D on folded.pdb                                          (00:00:57)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:57)

• Minimal score value: -2.9849
• Maximal score value: 0.931
• Average score: -1.1636
• Total score value: -136.1396

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	-1.8697
2	V	A	-1.5843
3	Q	A	-1.9070
4	L	A	-1.8386
5	R	A	-2.2374	mutated: VR5A
6	E	A	0.0000
7	S	A	-1.1860
8	G	A	-1.0002
9	G	A	-0.8367
10	G	A	-0.0896
11	L	A	0.9310
12	V	A	0.0000
13	Q	A	-1.4345
14	A	A	-1.7682
15	G	A	-1.8720
16	G	A	-1.3966
17	S	A	-1.8319
18	L	A	-1.4463
19	R	A	-2.3122
20	L	A	0.0000
21	S	A	-0.9977
22	C	A	0.0000
23	T	A	-1.2334
24	V	A	0.0000
25	S	A	-1.3184
26	T	A	-1.2805
27	S	A	-1.2263
28	R	A	-2.2608
29	F	A	0.0000
30	S	A	-1.7047
31	G	A	-1.7404
32	V	A	0.0000
33	G	A	-2.0071
34	R	A	-2.5660
35	M	A	0.0000
36	A	A	0.0000
37	W	A	0.0000
38	Y	A	-0.5876
39	R	A	0.0000
40	Q	A	-1.9327
41	A	A	-1.8178
42	P	A	-1.3103
43	G	A	-1.8187
44	K	A	-2.9849
45	Q	A	-2.7837
46	R	A	-2.2543
47	E	A	-2.1629
48	K	A	-1.2387
49	V	A	0.0000
50	A	A	0.0000
51	E	A	0.0000
52	I	A	0.0000
53	T	A	-2.1085
54	R	A	-2.7593
55	A	A	-1.4600
56	G	A	-1.6385
57	S	A	-1.5628
58	R	A	-1.9870
59	T	A	-1.2708
60	Y	A	-1.3102
61	A	A	-1.5415
62	D	A	-2.4050
63	A	A	-1.5999
64	V	A	0.0000
65	K	A	-2.5815
66	G	A	-2.0039
67	R	A	-2.1516
68	F	A	0.0000
69	T	A	-1.2183
70	I	A	0.0000
71	S	A	-0.8795
72	R	A	-1.6193
73	D	A	-1.6831
74	N	A	-2.3193
75	A	A	-1.4835
76	K	A	-2.2757
77	N	A	-1.9506
78	T	A	0.0000
79	V	A	0.0000
80	Y	A	-0.7644
81	L	A	0.0000
82	Q	A	-1.6683
83	M	A	0.0000
84	D	A	-2.6160
85	R	A	-2.9340
86	L	A	0.0000
87	K	A	-2.7354
88	P	A	-1.8670
89	E	A	-2.3112
90	D	A	0.0000
91	T	A	-0.9489
92	A	A	0.0000
93	V	A	-0.3751
94	Y	A	0.0000
95	W	A	-0.6202
96	C	A	0.0000
97	V	A	0.0000
98	R	A	-2.1773
99	A	A	0.0000
100	R	A	-2.6351
101	W	A	-1.6442
102	Q	A	-1.8517
103	S	A	-1.0426
104	G	A	-0.8453
105	T	A	-0.8740
106	P	A	-1.0310
107	R	A	-2.2307
108	T	A	0.0000
109	P	A	-1.0164
110	G	A	-0.9754
111	T	A	-0.9664
112	Q	A	-1.0637
113	V	A	0.0000
114	T	A	-0.3552
115	V	A	0.0000
116	S	A	-0.8090
117	S	A	-1.0642