Project name: June_A3D

Status: done

Started: 2025-02-17 04:51:18
Settings
Chain sequence(s) A: LIVTQTMKGLDIQKVAGTWYSLAMAASDISLLDAQSAPLRVYVEELKPTPEGDLEILLQKWENDECAQKKIIAEKTKIPAVFKIDALNENKVLVLDTDYKKYLLFCMENSAEPEQSLVCQCLVRTPEVDDEALEKFDKALKALPMHIRLSFNPTQLEEQCHI
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                                        (00:00:00)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:03:02)
[INFO]       Main:     Simulation completed successfully.                                          (00:03:02)
Show buried residues

Aggrescan3D profile | June_A3D | Chain AL1I12S30K47E62E74N88E112D130L143T154-4-2024ResidueScore
Minimal score value
-4.0004
Maximal score value
2.1665
Average score
-1.1518
Total score value
-186.5899

The table below lists A3D score for protein residues. Residues with A3D score > 0.0000 are marked by yellow rows.

Show chain Show residues from to
residue index residue name chain Aggrescan3D score mutation
residue index
residue name
chain
Aggrescan3D score
mutation
1 L A 1.6441
2 I A 2.1665
3 V A 0.0000
4 T A 0.0713
5 Q A -1.2273
6 T A -1.0206
7 M A -1.2900
8 K A -2.0472
9 G A -1.3424
10 L A -1.2701
11 D A -1.6418
12 I A -1.5965
13 Q A -2.3215
14 K A -2.7254
15 V A 0.0000
16 A A -1.3879
17 G A -1.1538
18 T A -0.5592
19 W A 0.0000
20 Y A -0.5772
21 S A 0.0000
22 L A 0.0000
23 A A 0.0000
24 M A 0.0000
25 A A 0.0000
26 A A 0.0000
27 S A -0.7940
28 D A -1.2636
29 I A -0.4575
30 S A -0.6700
31 L A -0.7224
32 L A 0.0000
33 D A -2.0962
34 A A -1.3886
35 Q A -2.1956
36 S A -2.3091
37 A A 0.0000
38 P A -1.0067
39 L A 0.0000
40 R A -0.8803
41 V A 0.0000
42 Y A 0.0000
43 V A 0.0000
44 E A -1.1415
45 E A -1.0615
46 L A 0.0000
47 K A -1.4913
48 P A -1.6277
49 T A -1.7365
50 P A -1.4990
51 E A -2.5519
52 G A 0.0000
53 D A -2.5223
54 L A 0.0000
55 E A -0.9845
56 I A 0.0000
57 L A -1.2739
58 L A 0.0000
59 Q A 0.0000
60 K A -1.7654
61 W A -2.7456
62 E A -3.8833
63 N A -3.5764
64 D A -4.0004
65 E A -3.5170
66 C A -1.7621
67 A A -1.6673
68 Q A -1.9814
69 K A -2.0685
70 K A -1.9960
71 I A 0.0000
72 I A -0.6582
73 A A 0.0000
74 E A -3.5135
75 K A -3.4495
76 T A -2.2796
77 K A -1.6387
78 I A -0.4114
79 P A -0.8859
80 A A 0.0000
81 V A 0.0000
82 F A 0.0000
83 K A -3.2752
84 I A 0.0000
85 D A -2.6104
86 A A -1.5822
87 L A -0.9119
88 N A -2.0653
89 E A 0.0000
90 N A -2.1276
91 K A -2.0196
92 V A 0.0000
93 L A 0.0000
94 V A 0.0000
95 L A 0.0000
96 D A -0.9327
97 T A 0.0000
98 D A -1.5386
99 Y A -2.0534
100 K A -2.9100
101 K A -2.9848
102 Y A 0.0000
103 L A 0.0000
104 L A 0.0000
105 F A 0.0000
106 C A 0.0000
107 M A 0.0000
108 E A 0.0000
109 N A 0.0000
110 S A -0.8928
111 A A -1.9432
112 E A -2.8669
113 P A -2.4961
114 E A -3.1818
115 Q A -2.3347
116 S A 0.0000
117 L A 0.0000
118 V A 0.0000
119 C A 0.0000
120 Q A 0.0000
121 C A 0.0000
122 L A 0.0000
123 V A 0.0000
124 R A -1.5785
125 T A -1.3999
126 P A -1.7473
127 E A -2.1412
128 V A -1.0638
129 D A -2.3436
130 D A -3.2710
131 E A -3.6401
132 A A 0.0000
133 L A -2.3848
134 E A -3.8154
135 K A -2.9654
136 F A 0.0000
137 D A -3.2753
138 K A -3.1782
139 A A -2.1383
140 L A 0.0000
141 K A -2.3503
142 A A -1.1620
143 L A -0.1380
144 P A -0.2557
145 M A -0.9778
146 H A -1.2587
147 I A -1.2792
148 R A -1.9796
149 L A -0.9364
150 S A -0.6179
151 F A 0.0000
152 N A -1.7486
153 P A -1.8739
154 T A -2.0568
155 Q A -2.3871
156 L A 0.0000
157 E A -3.4229
158 E A -3.2424
159 Q A 0.0000
160 C A 0.0000
161 H A -0.7475
162 I A 1.2682
residue index residue name chain Aggrescan3D score
mutation
Download PDB file
View in 3Dmol
Play the video

Laboratory of Theory of Biopolymers 2018