Project name: 9c0ab0f88d29653

Status: done

Started: 2025-04-14 01:44:15
Settings
Chain sequence(s) A: QVQLQESGPGLVKPSETLSLTCTVSGGSVSSGDYYWTWIRQSPGKGLEWIGHIYYSGNTNYNPSLKSRLTISIDTSKTQFSLKLSSVTAADTAIYYCVRDRVTGAFDIWGQGTMVTVSSGGGGSGGGGSGGGGSDIQMTQSPSSLSASVGDRVTITCQASQDISNYLNWYQQKPGKAPKLLIYDASNLETGVPSRFSGSGSGTDFTFTISSLQPEDIATYFCQHFDHLPLAFGGGTKVEI
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                                          (00:01:35)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:37)
Show buried residues

Minimal score value
-2.8893
Maximal score value
1.2709
Average score
-0.6468
Total score value
-155.222

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 Q A -1.6279
2 V A -1.2847
3 Q A -1.9912
4 L A 0.0000
5 Q A -1.8725
6 E A 0.0000
7 S A -0.7778
8 G A -0.5271
9 P A -0.1283
10 G A 0.1842
11 L A 0.6441
12 V A 0.0000
13 K A -1.9717
14 P A -1.4687
15 S A -1.2699
16 E A -1.6091
17 T A -1.2147
18 L A 0.0000
19 S A -0.8099
20 L A 0.0000
21 T A -0.6134
22 C A 0.0000
23 T A -1.1714
24 V A 0.0000
25 S A -1.4667
26 G A -1.3358
27 G A -1.0502
28 S A -0.6383
29 V A 0.0000
30 S A -0.3306
31 S A -0.6345
32 G A -0.6384
33 D A -1.2539
34 Y A -0.0691
35 Y A 0.2987
36 W A 0.0000
37 T A 0.0000
38 W A 0.0000
39 I A 0.0000
40 R A 0.0000
41 Q A -0.6660
42 S A -0.8078
43 P A -0.9141
44 G A -1.4634
45 K A -2.2821
46 G A -1.3889
47 L A 0.0000
48 E A -0.9130
49 W A 0.0000
50 I A 0.0000
51 G A 0.0000
52 H A 0.0000
53 I A 0.0000
54 Y A 0.0201
55 Y A 0.1036
56 S A -0.3122
57 G A -0.7649
58 N A -1.3384
59 T A -0.7553
60 N A -0.7756
61 Y A -0.5889
62 N A -0.6769
63 P A -1.0642
64 S A -1.0149
65 L A 0.0000
66 K A -2.0772
67 S A -1.2996
68 R A -1.3378
69 L A 0.0000
70 T A -0.9304
71 I A 0.0000
72 S A -0.4953
73 I A -0.4893
74 D A -1.2127
75 T A -1.0064
76 S A -1.3130
77 K A -2.1154
78 T A -1.3783
79 Q A -1.2356
80 F A 0.0000
81 S A -0.5216
82 L A 0.0000
83 K A -1.2637
84 L A 0.0000
85 S A -0.9715
86 S A -0.9901
87 V A 0.0000
88 T A -0.7176
89 A A -0.3608
90 A A -0.0542
91 D A 0.0000
92 T A 0.2417
93 A A 0.0000
94 I A 0.5406
95 Y A 0.0000
96 Y A 0.0000
97 C A 0.0000
98 V A 0.0000
99 R A -0.2514
100 D A 0.0000
101 R A -0.0199
102 V A 1.0419
103 T A 0.4529
104 G A 0.3600
105 A A 0.0000
106 F A 0.0000
107 D A -0.5150
108 I A -0.5085
109 W A -0.9379
110 G A 0.0000
111 Q A -1.8935
112 G A -0.9144
113 T A -0.2564
114 M A 0.5713
115 V A 0.0000
116 T A 0.2157
117 V A 0.0000
118 S A -0.7023
119 S A -1.0551
120 G A -1.3841
121 G A -1.1230
122 G A -1.1766
123 G A -1.1883
124 S A -1.0134
125 G A -1.2084
126 G A -1.2121
127 G A -1.2039
128 G A -1.2211
129 S A -1.0780
130 G A -1.2295
131 G A -1.4794
132 G A -1.3182
133 G A -1.4287
134 S A -1.5177
135 D A -2.0901
136 I A -1.7883
137 Q A -1.8686
138 M A 0.0000
139 T A -1.0875
140 Q A -0.7713
141 S A -0.7370
142 P A -0.6626
143 S A -0.9266
144 S A -1.3142
145 L A -0.6556
146 S A -0.4917
147 A A -0.1904
148 S A -0.0520
149 V A 0.3034
150 G A -0.9406
151 D A -1.7495
152 R A -2.4263
153 V A 0.0000
154 T A -0.6557
155 I A 0.0000
156 T A -0.7687
157 C A 0.0000
158 Q A -2.3445
159 A A 0.0000
160 S A -2.1001
161 Q A -2.8893
162 D A -2.8884
163 I A 0.0000
164 S A -1.3374
165 N A -1.0462
166 Y A -0.1757
167 L A 0.0000
168 N A 0.0000
169 W A 0.0000
170 Y A 0.0000
171 Q A 0.0000
172 Q A -1.2644
173 K A -1.6795
174 P A -1.0730
175 G A -1.5908
176 K A -2.3754
177 A A -1.5254
178 P A 0.0000
179 K A -1.4369
180 L A 0.0000
181 L A 0.0000
182 I A 0.0000
183 Y A -0.1198
184 D A -0.5334
185 A A 0.0000
186 S A -0.6887
187 N A -0.6898
188 L A -0.0602
189 E A -0.3443
190 T A -0.3008
191 G A -0.4428
192 V A -0.3081
193 P A -0.3771
194 S A -0.4408
195 R A -0.7559
196 F A 0.0000
197 S A -0.4255
198 G A -0.4329
199 S A -0.9654
200 G A -1.2967
201 S A -1.4942
202 G A -1.9142
203 T A -2.4111
204 D A -2.7630
205 F A 0.0000
206 T A -0.7921
207 F A 0.0000
208 T A -0.6172
209 I A 0.0000
210 S A -1.3546
211 S A -1.2394
212 L A 0.0000
213 Q A -0.6086
214 P A -0.7349
215 E A -1.7624
216 D A 0.0000
217 I A -0.6349
218 A A 0.0000
219 T A 0.0000
220 Y A 0.0000
221 F A 0.0000
222 C A 0.0000
223 Q A 0.0000
224 H A 0.0000
225 F A -0.0032
226 D A -0.8576
227 H A -0.7679
228 L A 0.1339
229 P A -0.2834
230 L A 0.0000
231 A A -0.4999
232 F A -0.2599
233 G A 0.0000
234 G A -1.1613
235 G A 0.0000
236 T A 0.0000
237 K A -2.2719
238 V A 0.0000
239 E A -0.9977
240 I A 1.2709
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Laboratory of Theory of Biopolymers 2018