Project name: VHL_N78Y

Status: done

Started: 2026-01-10 20:34:00
Settings
Chain sequence(s) A: MEAGRPRPVLRSVNSREPSQVIFCNRSPRVVLPVWLNFDGEPQPYPTLPPGTGRRIHSYRGHLWLFRDAGTHDGLLVYQTELFVPSLNVDGQPIFANITLPVYTLKERCLQVVRSLVKPENYRRLDIVRSLYEDLEDHPNVQKDLERLTQERIAHQRMGD
input PDB
Selected Chain(s) A
Distance of aggregation 10 Å
FoldX usage Yes
Dynamic mode No
Automated mutations No
Downloads Download all the data
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 A chain(s) selected             (00:00:00)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:00)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:01)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:03:06)
[INFO]       Main:     Simulation completed successfully.                                          (00:03:07)
Show buried residues

Minimal score value
-4.0859
Maximal score value
1.8614
Average score
-1.0483
Total score value
-167.7316

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
residue index residue name chain Aggrescan3D score
mutation
1 M A 0.1280
2 E A -1.7391
3 A A -1.2624
4 G A -2.1189
5 R A -2.9802
6 P A -2.0695
7 R A -2.6595
8 P A -1.4902
9 V A -0.4060
10 L A 0.0000
11 R A -0.7784
12 S A 0.0000
13 V A 0.6923
14 N A -1.0145
15 S A -1.6841
16 R A -2.6915
17 E A -2.4692
18 P A -1.7491
19 S A 0.0000
20 Q A -1.3032
21 V A 0.0000
22 I A -0.6255
23 F A 0.0000
24 C A -1.1139
25 N A 0.0000
26 R A -2.2687
27 S A 0.0000
28 P A -0.9981
29 R A -1.0149
30 V A -0.2279
31 V A 0.0000
32 L A 0.0312
33 P A 0.0000
34 V A 0.0000
35 W A -0.2963
36 L A 0.0000
37 N A -1.0542
38 F A -0.7206
39 D A -2.2171
40 G A -1.7792
41 E A -2.6440
42 P A -1.5344
43 Q A -0.9730
44 P A -0.4372
45 Y A 0.1748
46 P A -0.1572
47 T A 0.0074
48 L A 0.0000
49 P A -0.6130
50 P A -1.1023
51 G A -1.2939
52 T A -0.9949
53 G A -1.5114
54 R A -1.8446
55 R A -2.3005
56 I A -1.4688
57 H A -1.5380
58 S A 0.0000
59 Y A -1.2603
60 R A -1.5882
61 G A -0.1963
62 H A 0.0000
63 L A 0.0000
64 W A 0.0000
65 L A 0.0000
66 F A 0.0000
67 R A 0.0000
68 D A 0.0000
69 A A -0.3763
70 G A -0.6169
71 T A -0.9221
72 H A -1.0609
73 D A -0.9452
74 G A -0.4103
75 L A 0.0000
76 L A 0.1644
77 V A 0.0000
78 Y A 0.6805
79 Q A -0.6247
80 T A -0.3372
81 E A -0.4261
82 L A 0.4266
83 F A 0.0000
84 V A 1.5485
85 P A 0.0000
86 S A 0.0891
87 L A -0.1018
88 N A -0.4577
89 V A 0.4773
90 D A -1.5099
91 G A -1.3895
92 Q A -1.3412
93 P A -0.5568
94 I A 0.5249
95 F A 0.8834
96 A A 0.0000
97 N A -0.5062
98 I A 0.0000
99 T A -0.4059
100 L A 0.3461
101 P A 0.9035
102 V A 1.8614
103 Y A 0.5120
104 T A 0.0944
105 L A 0.3994
106 K A -1.2720
107 E A -1.5386
108 R A -1.3815
109 C A -0.5026
110 L A 0.0000
111 Q A -0.4746
112 V A 0.4647
113 V A 0.5547
114 R A -0.3644
115 S A 0.4971
116 L A 1.3491
117 V A -0.4389
118 K A -2.1934
119 P A -2.8046
120 E A -3.6499
121 N A -3.3907
122 Y A 0.0000
123 R A -3.9607
124 R A -3.4524
125 L A -1.8541
126 D A -1.9001
127 I A -0.0757
128 V A 0.7912
129 R A -1.6299
130 S A -0.8426
131 L A -1.1404
132 Y A 0.0000
133 E A -3.6980
134 D A -3.0126
135 L A 0.0000
136 E A -4.0859
137 D A -3.7389
138 H A -2.8769
139 P A -2.1529
140 N A -2.5655
141 V A -2.1444
142 Q A -3.2368
143 K A -3.6965
144 D A -2.9083
145 L A 0.0000
146 E A -3.9209
147 R A -3.7396
148 L A -2.6053
149 T A -2.5087
150 Q A -3.1832
151 E A -3.5431
152 R A -3.3980
153 I A -1.8279
154 A A -2.2382
155 H A -3.0250
156 Q A -3.3065
157 R A -2.9571
158 M A -1.2305
159 G A -2.0299
160 D A -2.6570
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Laboratory of Theory of Biopolymers 2018