Project name: d940bb32c8913eb

Status: done

Started: 2024-06-17 20:24:47
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Chain sequence(s) A: LIVTQTMKGLDIQKVAGTWYSLAMAASDISLLDAQSAPLRVYVEELKPTPEGDLEILLQQKWENGECAQKKIIAEKTKIPAVFKIDALNENKVLVLDTDYKKYLLFCMMENQSLACQCLVRTPEVDDEALEKFDKALKALPMHIRLSFNPTQLEEQCHI
input PDB
Selected Chain(s) A
Distance of aggregation 5 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                                          (00:02:11)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:12)
Show buried residues

Minimal score value
-2.3303
Maximal score value
1.9947
Average score
-0.435
Total score value
-68.2955

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 L A 1.7231
2 I A 1.2395
3 V A 0.0000
4 T A -0.2247
5 Q A -0.8421
6 T A -0.1515
7 M A -0.2049
8 K A -1.7564
9 G A -0.7820
10 L A 0.0000
11 D A -0.6359
12 I A -0.0447
13 Q A -1.1039
14 K A -1.8539
15 V A 0.0000
16 A A 0.0010
17 G A -0.1450
18 T A -0.2195
19 W A 0.0000
20 Y A 0.1733
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 0.0000
28 D A -1.1841
29 I A 1.6755
30 S A 0.1877
31 L A 0.1468
32 L A 0.0000
33 D A -1.5701
34 A A -0.4120
35 Q A -0.9616
36 S A -0.2972
37 A A 0.0000
38 P A -0.2052
39 L A 0.1812
40 R A -0.1540
41 V A 0.1268
42 Y A 0.0000
43 V A 0.0000
44 E A -1.0448
45 E A -1.1881
46 L A 0.0000
47 K A -1.3326
48 P A 0.0000
49 T A -0.0545
50 P A -0.5820
51 E A -1.8764
52 G A -0.4606
53 D A -0.6021
54 L A 0.0000
55 E A -1.0435
56 I A 0.0000
57 L A -0.0200
58 L A 0.0000
59 Q A -0.2900
60 K A 0.0000
61 W A -0.1329
62 E A -2.0186
63 N A -1.8631
64 G A -0.9947
65 E A -1.7967
66 C A -0.1491
67 A A -0.1872
68 Q A -1.3860
69 K A -1.4695
70 K A -1.7780
71 I A 0.2663
72 I A 0.9437
73 A A 0.0000
74 E A -2.2101
75 K A -1.8080
76 T A -0.5992
77 K A -1.5456
78 I A 0.4971
79 P A -0.1005
80 A A 0.0000
81 V A 0.0000
82 F A 0.0000
83 K A -0.9355
84 I A -0.1708
85 D A -1.9109
86 A A -0.1915
87 L A 1.3182
88 N A -1.3135
89 E A -2.2420
90 N A -0.8150
91 K A -0.7252
92 V A 0.0000
93 L A 0.0000
94 V A 0.0000
95 L A 0.0000
96 D A -0.4206
97 T A 0.0000
98 D A -0.3594
99 Y A -0.1240
100 K A -1.7797
101 K A -1.0175
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 0.1251
108 E A 0.0000
109 N A -1.1683
115 Q A -1.2049
116 S A -0.2536
117 L A 0.0000
118 A 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 -0.3072
125 T A -0.0954
126 P A -0.4171
127 E A -1.5843
128 V A 0.9796
129 D A -0.2653
130 D A -2.1571
131 E A -2.3303
132 A A 0.0000
133 L A -0.0663
134 E A -2.0952
135 K A -1.1193
136 F A 0.0000
137 D A -1.3457
138 K A -1.8870
139 A A -0.2965
140 L A 0.0000
141 K A -1.6894
142 A A -0.2204
143 L A 0.1423
144 P A -0.1386
145 M A -0.0838
146 H A -0.9661
147 I A 0.0000
148 R A -1.7894
149 L A -0.0753
150 S A -0.1576
151 F A 0.0000
152 N A -0.8521
153 P A -0.2826
154 T A -0.1472
155 Q A -0.3228
156 L A 0.0000
157 E A -2.0774
158 E A -1.9620
159 Q A -1.4551
160 C A 0.0000
161 H A 0.0840
162 I A 1.9947
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Laboratory of Theory of Biopolymers 2018