Project name: 5e90b96482aafcb

Status: done

Started: 2025-11-10 20:21:38
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Chain sequence(s) A: EVKLEESGGGLVQQPGGSMKLSCVASGFIFSNHWMNWVRQSPEKGLEWVAEIRSKSINSATHYAESVKGRFTISRDDSKSAVYLQMTDLRTEDTGVYYCSRNYYGSTYDYWGQGTTLTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPK
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                                          (00:03:15)
[INFO]       Main:     Simulation completed successfully.                                          (00:03:17)
Show buried residues

Minimal score value
-2.9854
Maximal score value
2.4908
Average score
-0.5993
Total score value
-132.4502

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 -2.2196
2 V A -1.3428
3 K A -2.4051
4 L A 0.0000
5 E A -2.3546
6 E A -1.2069
7 S A -1.0203
8 G A -0.8526
9 G A 0.0000
10 G A -0.5596
11 L A -0.3843
12 V A 0.0000
13 Q A -1.8587
14 P A -1.9895
15 G A -2.0388
16 G A -1.4992
17 S A -1.3971
18 M A -1.1411
19 K A -1.6798
20 L A 0.0000
21 S A -0.6552
22 C A 0.0000
23 V A -0.5756
24 A A 0.0000
25 S A -1.0314
26 G A -0.9016
27 F A 0.3558
28 I A 1.5680
29 F A 0.0000
30 S A -0.9920
31 N A -0.9625
32 H A -0.2305
33 W A -0.2736
34 M A 0.0000
35 N A 0.0000
36 W A 0.0000
37 V A 0.0000
38 R A 0.0000
39 Q A -0.6004
40 S A -1.4667
41 P A -1.5779
42 E A -2.9854
43 K A -2.7978
44 G A -1.1472
45 L A 0.5665
46 E A 0.1003
47 W A 0.5533
48 V A 0.0000
49 A A 0.0000
50 E A 0.0000
51 I A 0.0000
52 R A -1.0240
53 S A 0.0000
54 K A -2.2160
55 S A -1.0145
56 I A -0.0233
57 N A -1.3390
58 S A -1.2399
59 A A -0.6545
60 T A -0.4863
61 H A -0.8686
62 Y A -1.0759
63 A A 0.0000
64 E A -2.5003
65 S A -1.4805
66 V A 0.0000
67 K A -2.5782
68 G A -1.7574
69 R A 0.0000
70 F A 0.0000
71 T A -0.7188
72 I A 0.0000
73 S A -0.3946
74 R A -0.9869
75 D A -1.3217
76 D A -1.4275
77 S A -1.4216
78 K A -1.9947
79 S A -0.7320
80 A A 0.0000
81 V A 0.0000
82 Y A -0.2681
83 L A 0.0000
84 Q A -0.9808
85 M A 0.0000
86 T A -1.5792
87 D A -2.5411
88 L A 0.0000
89 R A -2.5515
90 T A -1.8075
91 E A -2.7030
92 D A 0.0000
93 T A -1.0504
94 G A 0.0000
95 V A 0.2601
96 Y A 0.0000
97 Y A -0.0505
98 C A 0.0000
99 S A 0.0000
100 R A 0.0000
101 N A 0.0000
102 Y A 1.0853
103 Y A 0.6809
104 G A 0.0614
105 S A 0.0191
106 T A 0.1940
107 Y A 0.5238
108 D A 0.1065
109 Y A 0.5515
110 W A -0.0475
111 G A -1.1289
112 Q A -1.7417
113 G A -0.8961
114 T A -0.5589
115 T A -0.1930
116 L A 0.0000
117 T A -0.5678
118 V A 0.0000
119 S A -1.0070
120 S A -0.7574
121 A A -0.5104
122 S A -0.6114
123 T A -0.7578
124 K A -1.1932
125 G A -1.4144
126 P A 0.0000
127 S A -0.0903
128 V A 0.0000
129 F A 1.0174
130 P A 0.1845
131 L A 0.5036
132 A A -0.9793
133 P A 0.0000
134 S A -1.4221
135 S A -1.4300
136 K A -2.0687
137 S A -1.0245
138 T A -1.0330
139 S A -0.9516
140 G A -0.8906
141 G A -0.9158
142 T A -0.6564
143 A A 0.0000
144 A A -0.1277
145 L A 0.0000
146 G A 0.0000
147 C A 0.0000
148 L A 0.7396
149 V A 0.0000
150 K A -0.2143
151 D A -0.3978
152 Y A 0.0000
153 F A 0.0000
154 P A 0.0000
155 E A -0.5031
156 P A -0.7098
157 V A -0.6347
158 T A -0.5534
159 V A -0.3834
160 S A -0.3759
161 W A 0.0000
162 N A -0.7670
163 S A -0.6656
164 G A -0.5127
165 A A -0.2319
166 L A 0.0344
167 T A -0.2388
168 S A -0.2900
169 G A -0.3244
170 V A 0.1308
171 H A -0.3138
172 T A 0.2006
173 F A 0.9750
174 P A 0.7194
175 A A 1.2765
176 V A 2.4908
177 L A 2.1688
178 Q A 0.7320
179 S A 0.0927
180 S A -0.2214
181 G A 0.1844
182 L A 0.2798
183 Y A 0.8426
184 S A 0.0000
185 L A 0.0000
186 S A 0.6635
187 S A 0.0000
188 V A 0.4948
189 V A 0.0000
190 T A -0.2560
191 V A 0.0000
192 P A -0.5556
193 S A -0.6081
194 S A -0.5583
195 S A -0.5592
196 L A -0.8860
197 G A -1.2685
198 T A -0.7242
199 Q A -1.2819
200 T A -1.1054
201 Y A 0.0000
202 I A -1.2387
203 C A 0.0000
204 N A -1.5340
205 V A 0.0000
206 N A -1.9684
207 H A 0.0000
208 K A -2.6666
209 P A -1.5130
210 S A -1.7935
211 N A -2.5638
212 T A -2.0438
213 K A -2.6993
214 V A -1.8311
215 D A -2.6322
216 K A -1.9916
217 K A -2.3949
218 V A 0.0000
219 E A -2.7489
220 P A -1.8011
221 K A -2.3342
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Laboratory of Theory of Biopolymers 2018