Project name: 6df94cbe2ad2f8a

Status: done

Started: 2026-04-17 09:39:54
Settings
Chain sequence(s) A: EVQLVESGGGLVQPGGSLKLSCAASGFTFSTYAMNWVRQAPGKGLEWVGRIRSKYNNYATYYADSVKDRFTISRDDSKNTLYLQMNSLRAEDTAVYYCVRHGNFGNSYVSWFAYWGQGTLVTVSSGGGGSGGGGSGGGGSQTVVTQEPSLTVSPGGTVTLTCRSSTGAVTTSNYANWVQQKPGQAPRGLIGGTNKRAPWTPARFSGSLLGGKAALTLSGVQPEDEAEYYCALWYSNLWVFGGGTKLTVL
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
-3.125
Maximal score value
1.7985
Average score
-0.4338
Total score value
-108.0053

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
10 E A -2.0074
11 V A -1.4271
12 Q A -1.1935
13 L A 0.0000
14 V A 0.9919
15 E A 0.0000
16 S A -0.2561
17 G A -0.8396
18 G A -0.3605
19 G A 0.5583
20 L A 1.5638
21 V A 0.2686
22 Q A -1.2016
23 P A -1.5782
24 G A -1.5399
25 G A -1.2443
26 S A -1.2333
27 L A -0.6650
28 K A -1.5358
29 L A 0.0000
30 S A -0.3449
31 C A 0.0000
32 A A -0.2939
33 A A -0.6856
34 S A -1.1009
35 G A -1.1847
36 F A -0.3007
37 T A -0.0123
38 F A 0.0000
39 S A -0.8175
40 T A -0.0336
41 Y A -0.0313
42 A A 0.0000
43 M A 0.0000
44 N A 0.0000
45 W A 0.0000
46 V A 0.0000
47 R A 0.0000
48 Q A -0.4214
49 A A 0.0000
50 P A -0.5217
51 G A -0.8258
52 K A -1.1074
53 G A -0.5898
54 L A -0.1525
55 E A -0.1866
56 W A 0.0000
57 V A 0.0000
58 G A 0.0000
59 R A -0.1053
60 I A 0.0000
61 R A -0.9300
62 S A -1.1689
63 K A -1.8838
64 Y A -0.4704
65 N A -1.6568
66 N A -1.8286
67 Y A -0.9874
68 A A -0.6717
69 T A -0.2003
70 Y A -0.1086
71 Y A -0.8074
72 A A -1.3814
73 D A -2.8386
74 S A 0.0000
75 V A 0.0000
76 K A -3.1250
77 D A -3.0355
78 R A -2.1125
79 F A 0.0000
80 T A -0.9627
81 I A 0.0000
82 S A -0.2920
83 R A -1.0134
84 D A -1.4764
85 D A -1.8320
86 S A -1.5963
87 K A -2.4097
88 N A -1.8380
89 T A -1.0836
90 L A 0.0000
91 Y A -0.3654
92 L A 0.0000
93 Q A -0.9927
94 M A 0.0000
95 N A -1.6377
96 S A -1.5509
97 L A 0.0000
98 R A -1.8001
99 A A -0.5674
100 E A 0.0000
101 D A 0.0000
102 T A 0.0000
103 A A 0.0000
104 V A -0.0020
105 Y A 0.0000
106 Y A 0.0000
107 C A 0.0000
108 V A 0.1364
109 R A -0.0714
110 H A 0.0000
111 G A 0.0000
112 N A 0.0000
113 F A 0.7292
114 G A -0.4689
115 N A -1.3095
116 S A -0.0815
117 Y A 1.0524
118 V A 1.7985
119 S A 0.0000
120 W A 0.1172
121 F A 0.0000
122 A A -0.3964
123 Y A 0.3422
124 W A 1.1157
125 G A 0.0914
126 Q A -0.1552
127 G A -0.2018
128 T A 0.0000
129 L A 1.2617
130 V A 0.0000
131 T A 0.6661
132 V A 1.2519
133 S A 0.0841
134 S A -0.3896
135 G A -0.8880
136 G A -1.1272
137 G A -1.3237
138 G A -1.4540
139 S A -1.4493
140 G A -1.5364
141 G A -1.7091
142 G A -1.5358
143 G A -1.6694
144 S A -1.2279
145 G A -1.2859
146 G A -1.1756
147 G A -1.3031
148 G A -1.5171
149 S A -1.5507
150 Q A -1.4484
151 T A 0.1021
152 V A 1.1407
153 V A 0.0000
154 T A -0.4155
155 Q A 0.0000
156 E A -0.8664
157 P A -0.8064
158 S A -0.6265
159 L A 0.0145
160 T A 0.3088
161 V A 0.3496
162 S A 0.0760
163 P A -0.5954
164 G A -0.9311
165 G A -0.6557
166 T A -0.4451
167 V A 0.0000
168 T A 0.0861
169 L A 0.0000
170 T A -0.3161
171 C A 0.0000
172 R A -1.5585
173 S A 0.0000
174 S A -0.3017
175 T A -0.4076
176 G A -0.6973
177 A A -0.4437
178 V A 0.0000
179 T A 0.1263
180 T A -0.0618
181 S A -0.0686
182 N A 0.1601
183 Y A 0.5332
184 A A 0.0000
185 N A -0.2949
186 W A 0.0000
187 V A -0.3326
188 Q A 0.0000
189 Q A -1.3141
190 K A -1.5576
191 P A -1.1251
192 G A -1.1711
193 Q A -1.2497
194 A A -0.8691
195 P A -0.9141
196 R A -1.1897
197 G A 0.0000
198 L A 0.0000
199 I A 0.0000
200 G A 0.0000
201 G A -0.3628
202 T A 0.0000
203 N A -1.6620
204 K A -1.5073
205 R A -1.4392
206 A A 0.0000
207 P A 0.5338
208 W A 0.8298
209 T A 0.0000
210 P A -0.0091
211 A A -0.1905
212 R A -0.4726
213 F A 0.0000
214 S A -0.9059
215 G A -0.7486
216 S A 0.0391
217 L A 0.8613
218 L A 1.4344
219 G A 0.0825
220 G A -0.2328
221 K A -0.4560
222 A A 0.0000
223 A A 0.0000
224 L A 0.0000
225 T A -0.2331
226 L A 0.0000
227 S A -0.6113
228 G A -0.7995
229 V A 0.0000
230 Q A -1.3227
231 P A -1.1315
232 E A -1.8611
233 D A 0.0000
234 E A -1.4742
235 A A 0.0000
236 E A -1.4080
237 Y A 0.0000
238 Y A 0.0000
239 C A 0.0000
240 A A 0.0000
241 L A 0.0000
242 W A 0.3870
243 Y A 0.1855
244 S A -0.3696
245 N A -0.4505
246 L A 0.3997
247 W A 0.5139
248 V A 0.7885
249 F A 0.5851
250 G A 0.0000
251 G A -0.4909
252 G A -0.7203
253 T A 0.0000
254 K A -1.2109
255 L A 0.0000
256 T A -0.1827
257 V A 0.2317
258 L A 1.3654
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Laboratory of Theory of Biopolymers 2018