Project name: 2e1e73c1a9b61b

Status: done

Started: 2025-03-10 04:36:43
Settings
Chain sequence(s) A: EVQLVESGGGLVKPGGSLRLSCAASGFTFSGYGMHWVRQAPGKGLEWVAFISNGSGTIYYADSVKGRFTISRDNAKNSLYLQMNSLRAEDTAVYYCARRGVDYWGQGTLVTVSSGGGSGGGSDVVMTQSPLSLPVTLGQPASISCKSSQSLLYSDGKTYLNWLLQRPGQSPRRLIYLVSKLDSGVPDRFSGSGSGTDFTLKISRVEAEDVGVYYCWQSTHFPFTFGQGTKLEIK
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]                                                (00:00:00)
[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]       FoldX:    Starting FoldX energy minimalization                                        (00:00:00)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:02:00)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:01)
Show buried residues

Minimal score value
-2.8771
Maximal score value
1.773
Average score
-0.5837
Total score value
-136.5805

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 E A -2.1887
2 V A -1.3647
3 Q A -1.3978
4 L A 0.0000
5 V A 0.8353
6 E A 0.0000
7 S A -0.2322
8 G A -0.7875
9 G A 0.1516
10 G A 0.6693
11 L A 1.3506
12 V A -0.2417
13 K A -1.8394
14 P A -1.8485
15 G A -1.4906
16 G A -1.0941
17 S A -1.3689
18 L A -1.1205
19 R A -2.2478
20 L A 0.0000
21 S A -0.4794
22 C A 0.0000
23 A A -0.1790
24 A A 0.0000
25 S A -1.1218
26 G A -1.3150
27 F A -0.5515
28 T A -0.2745
29 F A 0.0000
30 S A -1.0140
31 G A -0.7588
32 Y A -0.5236
33 G A 0.0000
34 M A 0.0000
35 H A 0.0000
36 W A 0.0000
37 V A 0.0000
38 R A 0.0000
39 Q A -0.6047
40 A A -0.8763
41 P A -1.0734
42 G A -1.4534
43 K A -2.3646
44 G A -1.5238
45 L A 0.0000
46 E A -1.0187
47 W A 0.0000
48 V A 0.0000
49 A A 0.0000
50 F A 0.0000
51 I A 0.0000
52 S A -0.6359
53 N A -1.3851
54 G A -1.1024
55 S A -0.8011
56 G A -0.6230
57 T A 0.0964
58 I A 1.0854
59 Y A 1.0096
60 Y A -0.1264
61 A A 0.0000
62 D A -2.6521
63 S A -1.8460
64 V A 0.0000
65 K A -2.2935
66 G A -1.6178
67 R A -1.4197
68 F A 0.0000
69 T A -0.6920
70 I A 0.0000
71 S A -0.3079
72 R A -1.0886
73 D A -1.5888
74 N A -1.8603
75 A A -1.3691
76 K A -2.2914
77 N A -1.7080
78 S A -1.0089
79 L A 0.0000
80 Y A -0.6250
81 L A 0.0000
82 Q A -1.5178
83 M A 0.0000
84 N A -1.4395
85 S A -1.2815
86 L A 0.0000
87 R A -2.2731
88 A A -1.7458
89 E A -1.6369
90 D A 0.0000
91 T A -0.0664
92 A A 0.0000
93 V A 0.8769
94 Y A 0.0000
95 Y A 0.0000
96 C A 0.0000
97 A A 0.0000
98 R A -0.9074
99 R A -1.9790
100 G A -0.9555
101 V A 0.0000
102 D A -0.8509
103 Y A -0.4362
104 W A -0.4435
105 G A 0.0000
106 Q A -1.1261
107 G A 0.0000
108 T A 0.6376
109 L A 1.7730
110 V A 0.0000
111 T A 0.4120
112 V A 0.0000
113 S A -0.9035
114 S A -1.2782
115 G A -1.4937
116 G A -1.4402
117 G A -1.3007
118 S A -0.9889
119 G A -1.2275
120 G A -1.3949
121 G A -1.5020
122 S A -0.7632
123 D A -1.0276
124 V A 0.1709
125 V A 0.9165
126 M A 0.0000
127 T A -0.4360
128 Q A 0.0000
129 S A -0.2998
130 P A 0.1378
131 L A 0.8065
132 S A -0.1047
133 L A -0.3235
134 P A -0.8764
135 V A 0.0000
136 T A -0.8495
137 L A -0.4178
138 G A 0.0000
139 Q A -1.8310
140 P A -1.8467
141 A A 0.0000
142 S A -0.7470
143 I A 0.0000
144 S A -0.8783
145 C A 0.0000
146 K A -2.2412
147 S A 0.0000
148 S A -0.8347
149 Q A -1.3852
150 S A -0.6237
151 L A 0.0000
152 L A 1.0175
153 Y A 0.6756
154 S A -0.5342
155 D A -1.7808
156 G A -1.0279
157 K A -0.6755
158 T A 0.2489
159 Y A 0.6020
160 L A 0.0000
161 N A 0.0000
162 W A 0.0000
163 L A 0.0000
164 L A 0.0000
165 Q A -0.9718
166 R A -1.5860
167 P A -0.9402
168 G A -1.2597
169 Q A -1.6355
170 S A -1.1589
171 P A 0.0000
172 R A -1.1374
173 R A 0.0000
174 L A 0.0000
175 I A 0.0000
176 Y A 0.1201
177 L A 0.0828
178 V A 0.0000
179 S A -0.5662
180 K A -0.8507
181 L A -0.4818
182 D A -0.7500
183 S A -0.6017
184 G A -0.7813
185 V A 0.0000
186 P A -1.1122
187 D A -2.1561
188 R A -2.0090
189 F A 0.0000
190 S A -1.1383
191 G A -0.6272
192 S A -0.8440
193 G A -1.1400
194 S A -0.7656
195 G A -0.7611
196 T A -1.5566
197 D A -2.3091
198 F A 0.0000
199 T A -1.0640
200 L A 0.0000
201 K A -1.5575
202 I A 0.0000
203 S A -2.1890
204 R A -2.8771
205 V A 0.0000
206 E A -1.7111
207 A A -0.9224
208 E A -2.0106
209 D A 0.0000
210 V A -0.7927
211 G A 0.0000
212 V A -0.4017
213 Y A 0.0000
214 Y A 0.0000
215 C A 0.0000
216 W A 0.0000
217 Q A 0.0000
218 S A 0.3922
219 T A 0.0000
220 H A 0.2252
221 F A 0.7895
222 P A 0.1322
223 F A 0.5537
224 T A 0.2636
225 F A 0.1336
226 G A 0.0000
227 Q A -0.9935
228 G A 0.0000
229 T A 0.0000
230 K A -0.9889
231 L A 0.0000
232 E A -1.2022
233 I A -0.3435
234 K A -1.4604
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Laboratory of Theory of Biopolymers 2018