Project name: 66af1c2e16f7092

Status: done

Started: 2026-02-24 14:48:51
Settings
Chain sequence(s) A: SGLVPRGSHMSNKPSKPKTNMKHVAGAAAAGAVVGGLGGYMLGSVMSRPLIHFGNDYEDRYYRENMYRYPNQVYYRPVDQYSNQNNFVHDCVNITVKQHTVTTTTKGENFTETDIKIMERVVEQMCITQYQRESQAYYQRGAS
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                                          (00:03:32)
[INFO]       Main:     Simulation completed successfully.                                          (00:03:34)
Show buried residues

Minimal score value
-4.1815
Maximal score value
2.5803
Average score
-0.8056
Total score value
-115.2039

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
92 S A 0.0734
93 G A 0.6132
94 L A 1.8904
95 V A 1.8567
96 P A 0.1585
97 R A -1.5230
98 G A -1.5157
99 S A -1.5132
100 H A -1.7622
101 M A -0.7509
102 S A -1.5599
103 N A -2.3536
104 K A -2.8020
105 P A -1.9180
106 S A -2.0510
107 K A -2.6015
108 P A -2.3764
109 K A -2.6630
110 T A -1.8795
111 N A -1.6713
112 M A -0.3727
113 K A -1.8567
114 H A -1.0961
115 V A 0.5643
116 A A 0.1909
117 G A 0.1022
118 A A 0.0523
119 A A 0.0386
120 A A 0.0029
121 A A 0.3537
122 G A 0.6920
123 A A 1.2744
124 V A 2.5803
125 V A 2.5166
126 G A 1.0122
127 G A 1.1018
128 L A 1.9264
129 G A 0.9253
130 G A 0.1626
131 Y A 0.7042
132 M A 1.1715
133 L A 0.9921
134 G A 0.6744
135 S A 0.9534
136 V A 1.8043
137 M A 1.4247
138 S A -0.1154
139 R A -1.4843
140 P A -0.6991
141 L A -0.0092
142 I A -1.0510
143 H A -1.5588
144 F A -1.7372
145 G A -1.8943
146 N A -2.9949
147 D A -3.2167
148 Y A -1.9305
149 E A -2.7475
150 D A -4.1815
151 R A -3.8546
152 Y A -1.8548
153 Y A 0.0000
154 R A -3.3223
155 E A -2.8903
156 N A 0.0000
157 M A -0.5341
158 Y A 0.5298
159 R A -0.6429
160 Y A 0.0000
161 P A 0.2342
162 N A 0.0000
163 Q A 0.0325
164 V A 0.0000
165 Y A 0.4830
166 Y A 0.3545
167 R A -0.5724
168 P A -0.4080
169 V A 0.3703
170 D A -1.4277
171 Q A -1.1462
172 Y A -0.1133
173 S A -1.4439
174 N A -2.4706
175 Q A -2.7274
176 N A -2.9127
177 N A -3.0030
178 F A -1.6474
179 V A -1.1726
180 H A -2.2821
181 D A -1.7425
182 C A 0.0000
183 V A -0.3089
184 N A -1.3667
185 I A 0.0000
186 T A 0.0000
187 V A 0.9469
188 K A -0.3715
189 Q A 0.1008
190 H A 0.4030
191 T A 0.3964
192 V A 1.2147
193 T A -0.1851
194 T A -1.1052
195 T A -0.4393
196 T A -0.9829
197 K A -2.6146
198 G A -2.2836
199 E A -3.1965
200 N A -2.7897
201 F A -1.1461
202 T A -1.4662
203 E A -2.0309
204 T A -1.0989
205 D A 0.0000
206 I A -1.3342
207 K A -2.6329
208 I A 0.0000
209 M A -1.7605
210 E A -3.3484
211 R A -3.3031
212 V A 0.0000
213 V A -1.6766
214 E A -2.4474
215 Q A -1.4137
216 M A 0.0000
217 C A 0.0000
218 I A 0.2760
219 T A -0.5578
220 Q A -0.7388
221 Y A -0.8307
222 Q A -1.5624
223 R A -2.2127
224 E A -1.5834
225 S A 0.0000
226 Q A -1.8131
227 A A -1.0690
228 Y A 0.0708
229 Y A 0.0629
230 Q A -1.4650
231 R A -1.8994
232 G A -0.8318
233 A A -0.3738
234 S A -0.1963
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Laboratory of Theory of Biopolymers 2018