Project name: 46416ce267cda52

Status: done

Started: 2026-04-05 07:34:05
Settings
Chain sequence(s) A: SPASGPRHLMDPHIFTSNFNNGIGRHKTYLCYEVERLDNGTSVKMDQHRGFLHNQAKNLLCGFYGRHAELRFLDLVPSLQLDPAQIYRVTWFISWSPCFSWGCAGEVRAFLQENTHVRLRIFAARMDPDPAIEGLGNVELAAAGAQVSIMTYDEFKHCWDTFVDHQGCPFQPWDGLDEHSQALSGRLRAILQNQGNHHHHHH
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                                          (00:00:01)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:02)
Show buried residues

Minimal score value
-3.3169
Maximal score value
2.5406
Average score
-0.796
Total score value
-160.7958

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 -0.4061
5 P A -0.4358
6 A A -0.3673
7 S A -0.6443
8 G A -1.1720
9 P A -0.9490
10 R A -1.4473
11 H A -1.1347
12 L A -0.3448
13 M A 0.0000
14 D A -1.1590
15 P A -0.9460
16 H A -0.9354
17 I A 0.0596
18 F A 0.0000
19 T A -0.5264
20 S A -0.4030
21 N A 0.0000
22 F A 0.0000
23 N A -0.4541
24 N A 0.0000
25 G A -0.1642
26 I A 1.3329
27 G A -0.5492
28 R A -1.3690
29 H A -1.9218
30 K A -1.9241
31 T A -1.1394
32 Y A 0.0000
33 L A 0.0000
34 C A 0.0000
35 Y A 0.0867
36 E A 0.0000
37 V A 0.0000
38 E A -1.2555
39 R A -0.9561
40 L A -0.4251
41 D A -1.0092
42 N A -1.6349
43 G A -1.1132
44 T A -0.7861
45 S A -0.4525
46 V A -0.4613
47 K A -1.9117
48 M A -1.6419
49 D A -2.3011
50 Q A -2.2189
51 H A -1.3835
52 R A -1.3419
53 G A -0.5038
54 F A 0.2276
55 L A 0.0000
56 H A -1.1331
57 N A -1.8725
58 Q A -1.8356
59 A A -1.2444
60 K A -0.8599
61 N A 0.6025
62 L A 2.4561
63 L A 2.5406
64 C A 2.0498
65 G A 1.7448
66 F A 2.1983
67 Y A 1.5547
68 G A -0.7435
69 R A -1.5424
70 H A -1.3172
71 A A 0.0000
72 E A 0.0000
73 L A -1.0019
74 R A -1.4826
75 F A 0.0000
76 L A -0.7486
77 D A -1.4363
78 L A -0.0436
79 V A 0.0000
80 P A -0.6577
81 S A -0.4940
82 L A -0.4504
83 Q A -1.3739
84 L A -1.0166
85 D A -1.3956
86 P A -0.8970
87 A A -0.4282
88 Q A -0.5293
89 I A -0.2190
90 Y A 0.0000
91 R A -1.2904
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 -0.3444
99 S A 0.0000
100 P A 0.0000
101 C A 0.0000
102 F A 1.2779
103 S A 0.9990
104 W A 0.9058
105 G A 0.0440
106 C A 0.0000
107 A A 0.0000
108 G A -1.0603
109 E A -1.8702
110 V A 0.0000
111 R A -2.2610
112 A A -1.9504
113 F A -1.6334
114 L A 0.0000
115 Q A -2.6196
116 E A -2.6225
117 N A -1.8237
118 T A -1.3956
119 H A -1.0896
120 V A 0.0000
121 R A -2.3438
122 L A 0.0000
123 R A -1.4455
124 I A 0.0000
125 F A -0.0278
126 A A 0.0000
127 A A 0.0000
128 R A 0.0000
129 M A 0.0000
130 D A -0.8432
131 P A -1.0904
132 D A -1.9178
133 P A -0.4267
134 A A -0.0240
135 I A 0.8568
136 E A 0.0000
137 G A 0.9327
138 L A 1.9877
139 G A 0.0000
140 N A 0.0000
141 V A 0.5061
142 E A 0.2750
143 L A 0.0000
144 A A -0.2546
145 A A -0.2945
146 A A -0.9024
147 G A -1.4233
148 A A 0.0000
149 Q A -1.6910
150 V A -0.6712
151 S A -0.5142
152 I A 0.0000
153 M A 0.0000
154 T A -1.2949
155 Y A -1.1801
156 D A -2.0692
157 E A -1.4953
158 F A 0.0000
159 K A -2.2629
160 H A -1.8163
161 C A 0.0000
162 W A 0.0000
163 D A -2.2783
164 T A -1.1671
165 F A 0.0000
166 V A 0.0000
167 D A -1.8262
168 H A -1.8461
169 Q A -1.8514
170 G A -1.3232
171 C A -0.8690
172 P A -1.1542
173 F A 0.0000
174 Q A -1.5394
175 P A -1.4334
176 W A -1.4136
177 D A -2.5085
178 G A -2.2923
179 L A 0.0000
180 D A -2.6825
181 E A -3.2685
182 H A -2.1241
183 S A 0.0000
184 Q A -2.4471
185 A A -1.8006
186 L A -1.4865
187 S A -1.5893
188 G A -1.6644
189 R A -1.8293
190 L A 0.0000
191 R A -2.4937
192 A A -1.7030
193 I A -0.9831
194 L A -1.1506
195 Q A -2.3538
196 N A -2.6476
197 Q A -2.6109
198 G A -2.8346
199 N A -3.3137
200 H A -3.3148
201 H A -3.2611
202 H A -3.3169
203 H A -3.2127
204 H A -2.9630
205 H A -2.4168
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Laboratory of Theory of Biopolymers 2018