Project name: RiAFP

Status: done

Started: 2025-12-24 03:29:27
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Chain sequence(s) A: GYSCRAVGVDGRAVTDIQGTCHAKATGAGAMASGTSEPGSTSTATATGRGATARSTSTGRGTATTTATGTASATSNAIGQGTATTTATGSAGGRATGSATTSSSASQPTQTQTITGPGFQTAKSFARNTATTTVTASHHHHHH
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]                                                (00:00:01)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:01)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with A chain(s) selected             (00:00:01)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:01)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:01)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:01:08)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:09)
Show buried residues

Minimal score value
-2.4693
Maximal score value
1.1796
Average score
-0.5923
Total score value
-84.6957

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 G A -0.9469
2 Y A -0.4208
3 S A -0.7473
4 C A 0.0000
5 R A -1.7626
6 A A 0.0000
7 V A 1.1796
8 G A -0.1742
9 V A -0.2315
10 D A -2.3155
11 G A -1.9798
12 R A -2.2357
13 A A -0.9569
14 V A -0.4168
15 T A -0.4056
16 D A -0.3481
17 I A 0.6693
18 Q A -0.5412
19 G A -0.6840
20 T A -0.5183
21 C A 0.0000
22 H A -0.4688
23 A A 0.0000
24 K A -0.8798
25 A A 0.0000
26 T A -0.9623
27 G A -1.3098
28 A A -0.9640
29 G A -1.1035
30 A A 0.0000
31 M A -0.1358
32 A A 0.0000
33 S A -1.2538
34 G A 0.0000
35 T A -0.8708
36 S A 0.0000
37 E A -1.6155
38 P A -1.3186
39 G A -1.6323
40 S A 0.0000
41 T A -0.7916
42 S A 0.0000
43 T A -0.2286
44 A A 0.0000
45 T A -0.7408
46 A A 0.0000
47 T A -0.8080
48 G A -1.3703
49 R A -2.3225
50 G A -1.5504
51 A A 0.0000
52 T A -0.4366
53 A A 0.0000
54 R A -1.1992
55 S A 0.0000
56 T A -0.2550
57 S A 0.0000
58 T A -0.7722
59 G A -1.2731
60 R A -2.2059
61 G A 0.0000
62 T A -0.6419
63 A A 0.0000
64 T A -0.2805
65 T A 0.0000
66 T A -0.3209
67 A A 0.0000
68 T A -0.5008
69 G A -1.2278
70 T A -1.2722
71 A A 0.0000
72 S A -0.5675
73 A A 0.0000
74 T A -0.6822
75 S A 0.0000
76 N A 0.0150
77 A A 0.0000
78 I A 0.4710
79 G A -0.5970
80 Q A -1.2495
81 G A -1.2627
82 T A -0.7487
83 A A 0.0000
84 T A -0.1261
85 T A 0.0000
86 T A -0.0959
87 A A 0.0000
88 T A -0.4863
89 G A 0.0000
90 S A -1.0733
91 A A -1.0830
92 G A -1.4018
93 G A 0.0000
94 R A -1.5467
95 A A 0.0000
96 T A -0.4562
97 G A 0.0000
98 S A -0.7486
99 A A 0.0000
100 T A 0.0044
101 T A 0.0000
102 S A -0.3541
103 S A -0.8623
104 S A -0.3993
105 A A 0.0000
106 S A -0.6752
107 Q A -1.2827
108 P A -1.2902
109 T A -0.9043
110 Q A -0.8930
111 T A -0.5939
112 Q A -0.8449
113 T A -0.3350
114 I A 0.1429
115 T A 0.2785
116 G A -0.3523
117 P A -1.1956
118 G A 0.0000
119 F A 0.5853
120 Q A 0.3001
121 T A -0.2904
122 A A 0.0000
123 K A -1.5849
124 S A 0.0000
125 F A 0.1972
126 A A 0.0000
127 R A -1.4757
128 N A -1.8141
129 T A -0.9244
130 A A 0.0000
131 T A -0.5059
132 T A 0.0000
133 T A -0.3539
134 V A 0.0000
135 T A -0.0830
136 A A 0.0000
137 S A -1.2032
138 H A -2.0191
139 H A -2.2658
140 H A -1.9727
141 H A -2.4693
142 H A -2.2702
143 H A -1.7996
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Laboratory of Theory of Biopolymers 2018