Project name: ca326164a0c6362

Status: done

Started: 2025-02-25 17:31:14
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Chain sequence(s) A: DPRLPLTAKQKYSMLASWKGISRAMEKTGICMFIKLFEENEELLHLFEKFRELRTKEAIVSSAELAEHATQVMHTLDEGIKGLADMDSFFTYVRHVGGTHRQVPGFKAENFMKIEQPFLEAAKTTLGERYTPNIENIYKLTIRFILENLVKGYAENGTTQT
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                                          (00:03:40)
[INFO]       Main:     Simulation completed successfully.                                          (00:03:41)
Show buried residues

Minimal score value
-4.4237
Maximal score value
0.6606
Average score
-1.3481
Total score value
-217.0516

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 D A -2.6877
2 P A -1.6026
3 R A -2.0486
4 L A 0.0000
5 P A -0.6602
6 L A 0.0000
7 T A -0.8861
8 A A -0.8685
9 K A -1.4435
10 Q A -0.9637
11 K A -0.3560
12 Y A 0.6606
13 S A -0.0035
14 M A 0.0000
15 L A -0.0961
16 A A -0.0361
17 S A -0.6060
18 W A 0.0000
19 K A -2.1734
20 G A -1.7314
21 I A 0.0000
22 S A -2.1958
23 R A -2.7720
24 A A -2.1634
25 M A 0.0000
26 E A -3.2370
27 K A -2.4828
28 T A 0.0000
29 G A 0.0000
30 I A -0.9070
31 C A -0.6492
32 M A 0.0000
33 F A 0.0000
34 I A 0.0000
35 K A -2.1107
36 L A 0.0000
37 F A 0.0000
38 E A -4.0959
39 E A -3.8900
40 N A -3.2824
41 E A -4.4237
42 E A -3.5853
43 L A 0.0000
44 L A 0.0000
45 H A -2.8969
46 L A 0.0000
47 F A -2.1615
48 E A -3.4404
49 K A -3.4831
50 F A 0.0000
51 R A -4.2886
52 E A -3.6513
53 L A -2.8793
54 R A -3.6948
55 T A -2.5186
56 K A -2.8215
57 E A -2.5001
58 A A -1.6892
59 I A 0.0000
60 V A -0.3826
61 S A -0.5144
62 S A 0.0000
63 A A -0.7833
64 E A -1.8808
65 L A 0.0000
66 A A -1.8531
67 E A -2.7450
68 H A -2.0917
69 A A 0.0000
70 T A -2.3276
71 Q A -2.1160
72 V A -1.1459
73 M A 0.0000
74 H A -1.7811
75 T A -1.2311
76 L A 0.0000
77 D A -1.9137
78 E A -2.3796
79 G A 0.0000
80 I A 0.0000
81 K A -2.5276
82 G A -2.0832
83 L A 0.0000
84 A A -1.4961
85 D A -2.8257
86 M A 0.0000
87 D A -2.5437
88 S A -1.7553
89 F A 0.0000
90 F A -1.2837
91 T A -0.8824
92 Y A -0.8106
93 V A 0.0000
94 R A -1.7295
95 H A -1.4778
96 V A -0.6204
97 G A 0.0000
98 G A -1.8328
99 T A -1.1698
100 H A -1.4632
101 R A -2.4659
102 Q A -1.7796
103 V A -0.9276
104 P A -1.0313
105 G A -1.2280
106 F A -1.6246
107 K A -2.4543
108 A A -2.1981
109 E A -2.5587
110 N A -1.6812
111 F A 0.0000
112 M A -1.4024
113 K A -1.8427
114 I A -1.0936
115 E A -1.4436
116 Q A -2.0464
117 P A 0.0000
118 F A 0.0000
119 L A 0.0000
120 E A -1.3643
121 A A 0.0000
122 A A 0.0000
123 K A -2.2474
124 T A -1.3369
125 T A -1.5242
126 L A 0.0000
127 G A -2.1978
128 E A -3.0473
129 R A -3.1724
130 Y A -2.3618
131 T A -1.9404
132 P A -1.4733
133 N A -2.1402
134 I A -1.6817
135 E A -1.9733
136 N A -2.0414
137 I A 0.0000
138 Y A 0.0000
139 K A -1.7275
140 L A -0.6159
141 T A 0.0000
142 I A 0.0000
143 R A -1.7942
144 F A -0.8477
145 I A 0.0000
146 L A 0.0000
147 E A -2.2179
148 N A 0.0000
149 L A 0.0000
150 V A -1.5775
151 K A -2.1961
152 G A -1.9973
153 Y A -1.9399
154 A A -1.8293
155 E A -2.7476
156 N A -2.4018
157 G A -1.7797
158 T A -0.9807
159 T A -1.0199
160 Q A -1.3771
161 T A -0.7501
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Laboratory of Theory of Biopolymers 2018