Project name: 3cd0cbc2e87a9c2

Status: done

Started: 2026-04-05 08:39:44
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Chain sequence(s) A: SPASGPRHLMDPHIFTSNFNNGIGRHKTYLCYEVERLDNGTSVKMDQHRGFLHNQAKNLLCGFYGRHAELRFLDLVPSLQLDPAQIYRVTWFISWSPCFSWGCAGEVRAFLQENTHVRLRIFAARMDPNPEEAAASVETLVAAGAQVSIMTYDEFKHCWDTFVDHQGCPFQPWDGLDEHSQALSGRLRAILQNQGNHHHHHH
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.                                          (00:00:01)
Show buried residues

Minimal score value
-3.3198
Maximal score value
2.5423
Average score
-0.886
Total score value
-178.9681

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 -0.3679
7 S A -0.6447
8 G A -1.1662
9 P A -0.9494
10 R A -1.4376
11 H A -1.1309
12 L A -0.3343
13 M A 0.0000
14 D A -1.1619
15 P A -0.9437
16 H A -0.9359
17 I A 0.0565
18 F A 0.0000
19 T A -0.5260
20 S A -0.4046
21 N A 0.0000
22 F A 0.0000
23 N A -0.4484
24 N A 0.0000
25 G A -0.2745
26 I A 1.3325
27 G A -0.5024
28 R A -1.3940
29 H A -1.9336
30 K A -1.9282
31 T A -1.1150
32 Y A 0.0000
33 L A 0.0000
34 C A 0.0000
35 Y A 0.0900
36 E A 0.0000
37 V A 0.0000
38 E A -1.2442
39 R A -0.9560
40 L A -0.4043
41 D A -0.9830
42 N A -1.6229
43 G A -1.1046
44 T A -0.7766
45 S A -0.4464
46 V A -0.4467
47 K A -1.8835
48 M A -1.5952
49 D A -2.2014
50 Q A -2.1671
51 H A -1.3425
52 R A -1.3031
53 G A -0.4854
54 F A 0.2316
55 L A 0.0000
56 H A -1.1335
57 N A -1.8812
58 Q A -1.8473
59 A A -1.2524
60 K A -0.8710
61 N A 0.6064
62 L A 2.4626
63 L A 2.5423
64 C A 2.0489
65 G A 1.7497
66 F A 2.1907
67 Y A 1.5456
68 G A -0.7604
69 R A -1.5898
70 H A -1.3358
71 A A 0.0000
72 E A 0.0000
73 L A -0.9897
74 R A -1.4727
75 F A 0.0000
76 L A -0.7250
77 D A -1.4005
78 L A -0.0223
79 V A 0.0000
80 P A -0.6526
81 S A -0.4898
82 L A -0.4437
83 Q A -1.3711
84 L A -1.0134
85 D A -1.3892
86 P A -0.8912
87 A A -0.4224
88 Q A -0.5170
89 I A -0.2081
90 Y A 0.0000
91 R A -1.3032
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 -0.3523
99 S A 0.0000
100 P A 0.0000
101 C A 0.0000
102 F A 0.2288
103 S A 0.1495
104 W A 0.9262
105 G A 0.0389
106 C A 0.0000
107 A A 0.0000
108 G A -1.1421
109 E A -1.9320
110 V A 0.0000
111 R A -2.3457
112 A A -2.0616
113 F A -1.6992
114 L A 0.0000
115 Q A -2.6683
116 E A -2.6492
117 N A -1.8396
118 T A -1.3928
119 H A -1.0869
120 V A 0.0000
121 R A -2.3487
122 L A 0.0000
123 R A -1.3860
124 I A 0.0000
125 F A -0.0328
126 A A 0.0000
127 A A 0.0000
128 R A 0.0000
129 M A 0.0000
130 D A -1.0458
131 P A -1.7175
132 N A -2.2214
133 P A -1.8635
134 E A -2.9189
135 E A -2.4741
136 A A 0.0000
137 A A -0.9105
138 A A -0.6559
139 S A 0.0000
140 V A 0.0000
141 E A -0.8249
142 T A -0.3055
143 L A 0.0000
144 V A -0.1101
145 A A -0.2427
146 A A -1.0520
147 G A -1.3083
148 A A 0.0000
149 Q A -1.5220
150 V A -0.6586
151 S A -0.5152
152 I A 0.0000
153 M A 0.0000
154 T A -1.2770
155 Y A -1.1651
156 D A -2.0678
157 E A -1.4867
158 F A 0.0000
159 K A -2.2485
160 H A -1.7970
161 C A 0.0000
162 W A 0.0000
163 D A -2.2394
164 T A -1.1488
165 F A 0.0000
166 V A 0.0000
167 D A -1.8163
168 H A -1.8368
169 Q A -1.8490
170 G A -1.3137
171 C A -0.8592
172 P A -1.1456
173 F A 0.0000
174 Q A -1.5369
175 P A -1.4204
176 W A -1.4011
177 D A -2.4932
178 G A -2.2669
179 L A 0.0000
180 D A -2.6322
181 E A -3.2277
182 H A -2.0931
183 S A 0.0000
184 Q A -2.4367
185 A A -1.8128
186 L A -1.5048
187 S A -1.6240
188 G A -1.6884
189 R A -1.9428
190 L A 0.0000
191 R A -2.5486
192 A A -1.7598
193 I A -1.5048
194 L A -1.5927
195 Q A -2.5361
196 N A -2.8286
197 Q A -2.7553
198 G A -2.8379
199 N A -3.3125
200 H A -3.3152
201 H A -3.2597
202 H A -3.3198
203 H A -3.2151
204 H A -2.9627
205 H A -2.4150
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Laboratory of Theory of Biopolymers 2018