Project name: mutVHL1

Chain sequence(s)	A: QVQLQQSGPELVKPGASVRMSCKTSGYTFTDYVISWFKQRPGQEREGIGEIFPRTGSTYYNENFKATATLTADKSSNTAYMQLSSLTSEDSAAYFCAFITSVDWAMEYWGQGTSVTVSS; B: RLLEMEFEERKRAAE
Selected Chain(s)	A,B
Distance of aggregation	10 Å
FoldX usage	Yes
Dynamic mode	No
Automated mutations	No

Simulation log

[INFO]       Logger:   Verbosity set to: 2 - [INFO]                                                (00:00:00)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:00)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with all chain(s) selected           (00:00:00)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:00)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:00)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:01:28)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:28)

• Minimal score value: -3.4985
• Maximal score value: 1.206
• Average score: -0.8673
• Total score value: -116.219

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	Q	A	-1.4142
2	V	A	-0.8378
3	Q	A	-1.3293
4	L	A	0.0000
5	Q	A	-1.7474
6	Q	A	0.0000
7	S	A	-1.2189
8	G	A	-1.0715
9	P	A	-0.5718
10	E	A	-0.4615
11	L	A	0.7958
12	V	A	-0.2878
13	K	A	-1.6573
14	P	A	-1.5833
15	G	A	-1.1007
16	A	A	-0.8588
17	S	A	-1.0795
18	V	A	0.0000
19	R	A	-2.2272
20	M	A	0.0000
21	S	A	-0.9742
22	C	A	0.0000
23	K	A	-1.8257
24	T	A	0.0000
25	S	A	-1.1599
26	G	A	-0.9331
27	Y	A	-0.5067
28	T	A	-0.5253
29	F	A	0.0000
30	T	A	-1.5105
31	D	A	-0.9569
32	Y	A	-0.4443
33	V	A	0.0000
34	I	A	0.0000
35	S	A	0.0000
36	W	A	0.0000
37	F	A	-0.2184
38	K	A	0.0000
39	Q	A	-1.6389
40	R	A	-1.8636
41	P	A	-1.3491
42	G	A	-1.6240
43	Q	A	-2.5346
44	E	A	-3.2610
45	R	A	-2.8395
46	E	A	-2.1153
47	G	A	-1.2528
48	I	A	0.0000
49	G	A	0.0000
50	E	A	-0.3414
51	I	A	0.0000
52	F	A	0.0000
53	P	A	0.0000
54	R	A	-2.4516
55	T	A	-1.2486
56	G	A	-1.2449
57	S	A	-0.4952
58	T	A	-0.1274
59	Y	A	-0.2480
60	Y	A	-1.1096
61	N	A	-1.9581
62	E	A	-3.0225
63	N	A	-2.7875
64	F	A	0.0000
65	K	A	-2.5470
66	A	A	-1.3479
67	T	A	-0.8879
68	A	A	0.0000
69	T	A	-0.7486
70	L	A	0.0000
71	T	A	-0.4837
72	A	A	-1.2089
73	D	A	-1.8282
74	K	A	-2.1115
75	S	A	-1.1936
76	S	A	-1.3285
77	N	A	-1.6811
78	T	A	0.0000
79	A	A	0.0000
80	Y	A	-0.6741
81	M	A	0.0000
82	Q	A	-1.4727
83	L	A	0.0000
84	S	A	-0.7858
85	S	A	-0.7282
86	L	A	0.0000
87	T	A	-1.3642
88	S	A	-1.5577
89	E	A	-2.1130
90	D	A	-1.3230
91	S	A	-0.8314
92	A	A	-0.6555
93	A	A	-0.4818
94	Y	A	0.0000
95	F	A	-0.1275
96	C	A	0.0000
97	A	A	0.0000
98	F	A	0.0000
99	I	A	0.0000
100	T	A	0.0000
101	S	A	0.2362
102	V	A	1.2060
103	D	A	-0.4782
104	W	A	0.5077
105	A	A	0.1851
106	M	A	0.1805
107	E	A	-0.5305
108	Y	A	0.2339
109	W	A	0.0206
110	G	A	0.0000
111	Q	A	-1.3600
112	G	A	-0.7477
113	T	A	0.0000
114	S	A	-0.4890
115	V	A	0.0000
116	T	A	-0.2993
117	V	A	0.0000
118	S	A	-0.5905
119	S	A	-0.6896
1	R	B	-1.9668
2	L	B	0.0000
3	L	B	-0.7877
4	E	B	-1.6717
5	M	B	-1.1349
6	E	B	0.0000
7	F	B	-0.5616
8	E	B	-2.1719
9	E	B	-2.2837
10	R	B	-2.5012
11	K	B	-3.1682
12	R	B	-3.4985
13	A	B	-2.1916
14	A	B	-2.1605
15	E	B	-2.8043