Project name: c126b18bbac2a01

Status: done

Started: 2026-04-05 07:34:10
Settings
Chain sequence(s) A: SPASGPRHLMDPHIFTSNFNNGIGRHKTYLCYEVERLDNGTSVKMDQHRGFLHNQAKNLLCGFYGRHAELRFLDLVPSLQLDPAQIYRVTWFISWSPCFSWGCAGEVRAFLQENTHVRLRIFVARMNPSPEEEGHGLALLAQAGAQVSIMTYDEFKHCWDTFVDHQGCPFQPWDGLDEHSQALSGRLRAILQNQGNHHHHHH
input PDB
Selected Chain(s) A
Distance of aggregation 10 Å
FoldX usage No
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]       runJob:   FoldX not utilized. Treating input pdb file as it was already optimized.    (00:00:00)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:00:00)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:02)
Show buried residues

Minimal score value
-3.3227
Maximal score value
2.5422
Average score
-0.8935
Total score value
-180.4857

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
4 S A -0.4070
5 P A -0.4361
6 A A -0.3676
7 S A -0.6447
8 G A -1.1661
9 P A -0.9489
10 R A -1.4347
11 H A -1.1275
12 L A -0.3280
13 M A 0.0000
14 D A -1.1588
15 P A -0.9419
16 H A -0.9356
17 I A 0.0556
18 F A 0.0000
19 T A -0.5268
20 S A -0.4061
21 N A 0.0000
22 F A 0.0000
23 N A -0.4490
24 N A 0.0000
25 G A -0.2765
26 I A 1.3317
27 G A -0.3777
28 R A -1.3954
29 H A -1.9335
30 K A -1.9263
31 T A -1.1082
32 Y A 0.0000
33 L A 0.0000
34 C A 0.0000
35 Y A 0.0913
36 E A 0.0000
37 V A 0.0000
38 E A -1.2430
39 R A -0.9536
40 L A -0.4002
41 D A -0.9736
42 N A -1.6184
43 G A -1.1015
44 T A -0.7737
45 S A -0.4445
46 V A -0.4442
47 K A -1.8822
48 M A -1.5922
49 D A -2.1953
50 Q A -2.1634
51 H A -1.3386
52 R A -1.2983
53 G A -0.4826
54 F A 0.2352
55 L A 0.0000
56 H A -1.1323
57 N A -1.8829
58 Q A -1.8508
59 A A -1.2534
60 K A -0.8717
61 N A 0.6088
62 L A 2.4625
63 L A 2.5422
64 C A 2.0485
65 G A 1.7500
66 F A 2.1912
67 Y A 1.5471
68 G A -0.7595
69 R A -1.5914
70 H A -1.3386
71 A A 0.0000
72 E A 0.0000
73 L A -0.9906
74 R A -1.4670
75 F A 0.0000
76 L A -0.7212
77 D A -1.3829
78 L A -0.0133
79 V A 0.0000
80 P A -0.6482
81 S A -0.4869
82 L A -0.4417
83 Q A -1.3689
84 L A -1.0106
85 D A -1.3832
86 P A -0.8882
87 A A -0.4202
88 Q A -0.5123
89 I A -0.2057
90 Y A 0.0000
91 R A -1.3050
92 V A 0.0000
93 T A 0.0000
94 W A 0.0000
95 F A 0.0000
96 I A 0.0000
97 S A 0.0000
98 W A -0.3175
99 S A 0.0000
100 P A 0.0000
101 C A 0.0000
102 F A -0.0377
103 S A 0.0569
104 W A 0.8815
105 G A 0.0299
106 C A 0.0000
107 A A 0.0000
108 G A -0.9658
109 E A -1.8363
110 V A 0.0000
111 R A -2.2768
112 A A -1.9066
113 F A -1.5990
114 L A 0.0000
115 Q A -2.5931
116 E A -2.6088
117 N A -1.8085
118 T A -1.3927
119 H A -1.0865
120 V A 0.0000
121 R A -2.3493
122 L A 0.0000
123 R A -1.4526
124 I A 0.0000
125 F A -0.0288
126 V A 0.0000
127 A A 0.0000
128 R A 0.0000
129 M A 0.0000
130 N A -0.6987
131 P A -1.1771
132 S A -1.1060
133 P A -1.2800
134 E A -2.5957
135 E A -2.2804
136 E A -1.5285
137 G A -1.2060
138 H A -1.3662
139 G A 0.0000
140 L A 0.0000
141 A A -0.9548
142 L A -0.6514
143 L A 0.0000
144 A A -1.1137
145 Q A -1.4958
146 A A -1.6190
147 G A -1.8081
148 A A 0.0000
149 Q A -1.8350
150 V A -0.7154
151 S A -0.5123
152 I A 0.0000
153 M A 0.0000
154 T A -1.2755
155 Y A -1.1641
156 D A -2.0669
157 E A -1.4838
158 F A 0.0000
159 K A -2.2462
160 H A -1.7937
161 C A 0.0000
162 W A 0.0000
163 D A -2.2302
164 T A -1.1438
165 F A 0.0000
166 V A 0.0000
167 D A -1.8106
168 H A -1.8334
169 Q A -1.8483
170 G A -1.3119
171 C A -0.8580
172 P A -1.1445
173 F A 0.0000
174 Q A -1.5372
175 P A -1.4204
176 W A -1.4004
177 D A -2.4925
178 G A -2.2659
179 L A 0.0000
180 D A -2.6268
181 E A -3.2257
182 H A -2.0935
183 S A 0.0000
184 Q A -2.3948
185 A A -1.7350
186 L A -1.3996
187 S A -1.5317
188 G A -1.5762
189 R A -1.6323
190 L A 0.0000
191 R A -2.4310
192 A A -1.6500
193 I A -1.4340
194 L A -1.6066
195 Q A -2.4076
196 N A -2.7115
197 Q A -2.6631
198 G A -2.7508
199 N A -3.3186
200 H A -3.3197
201 H A -3.2643
202 H A -3.3227
203 H A -3.1845
204 H A -2.9626
205 H A -2.4159
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Laboratory of Theory of Biopolymers 2018