Project name: 5884de786e92e6d

Status: done

Started: 2025-12-09 16:00:16
Settings
Chain sequence(s) C: QIVMTQSPFSMYATLGERVTITCKASQDIYSYLSWLQQKPGKSSLKTLIYRANRLITGVPSRFSGSGSGQDYSLTISSLEEYEDMGIYYCLQYDEFPYTFGGGTKLEMKRADAAPTVSIFPPSSEQLTSGGASVVCFLNNFYPKDINNVKWKIDGSERQNGVLNSWTDQDSKDSTYSMSSTLTLTKDEYERHNSYTCEATHKTSTSPIVKSFNR
input PDB
Selected Chain(s) C
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]                                                (00:00:02)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:02)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with C chain(s) selected             (00:00:02)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:02)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:02)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:04:30)
[INFO]       Main:     Simulation completed successfully.                                          (00:04:31)
Show buried residues

Minimal score value
-4.3209
Maximal score value
2.0059
Average score
-0.7038
Total score value
-148.5094

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 C -0.5936
2 I C 0.3560
3 V C 1.5103
4 M C 0.0000
5 T C 0.1361
6 Q C -0.1480
7 S C 0.1498
8 P C 0.6843
9 F C 1.6815
10 S C 0.9587
11 M C 0.7107
12 Y C 0.5012
13 A C 0.0000
14 T C -0.8840
15 L C -0.6648
16 G C -1.2994
17 E C -2.0721
18 R C -2.4544
19 V C 0.0000
20 T C -0.5437
21 I C 0.0000
22 T C -0.5382
23 C C 0.0000
24 K C -1.9581
25 A C 0.0000
26 S C -0.9753
27 Q C -1.8845
28 D C -1.8346
29 I C 0.0000
30 Y C 0.4000
31 S C -0.2135
32 Y C 0.1407
33 L C 0.0000
34 S C 0.0000
35 W C 0.0000
36 L C 0.0000
37 Q C 0.0000
38 Q C -0.9455
39 K C -1.7578
40 P C -1.7334
41 G C -1.6081
42 K C -2.2129
43 S C -1.1000
44 L C -0.1191
45 K C -1.0442
46 T C -0.0910
47 L C 0.0000
48 I C 0.0000
49 Y C -0.3218
50 R C -1.0286
51 A C 0.0000
52 N C -2.2380
53 R C -2.2277
54 L C -0.8724
55 I C -0.0449
56 T C -0.2613
57 G C -0.3891
58 V C 0.0000
59 P C -0.3630
60 S C -0.4361
61 R C -0.9006
62 F C 0.0000
63 S C -0.9267
64 G C -1.2201
65 S C -1.4959
66 G C -1.3734
67 S C -1.2254
68 G C -1.3802
69 Q C -2.5168
70 D C -2.8276
71 Y C 0.0000
72 S C -0.9652
73 L C 0.0000
74 T C -0.6443
75 I C 0.0000
76 S C -1.5342
77 S C -1.4577
78 L C 0.0000
79 E C -1.6068
80 Y C -1.7777
81 E C -2.5500
82 D C 0.0000
83 M C 0.0000
84 G C 0.0000
85 I C 0.3507
86 Y C 0.0000
87 Y C 0.4274
88 C C 0.0000
89 L C 1.1983
90 Q C 0.0000
91 Y C 0.7110
92 D C -0.5849
93 E C -0.9243
94 F C 1.1892
95 P C 1.0901
96 Y C 1.7888
97 T C 1.5472
98 F C 2.0059
99 G C 0.0000
100 G C 0.3594
101 G C 0.3820
102 T C 0.0000
103 K C 0.2155
104 L C 0.0000
105 E C -0.4020
106 M C 0.0000
107 K C -1.4595
108 R C -1.5123
109 A C -1.3972
110 D C -2.4215
111 A C -1.3544
112 A C -0.8132
113 P C 0.0000
114 T C -0.1646
115 V C 0.2197
116 S C 0.5116
117 I C 0.9130
118 F C 1.2219
119 P C 0.0235
120 P C -0.4910
121 S C -0.8175
122 S C -1.2814
123 E C -2.1607
124 Q C -1.4860
125 L C -1.2040
126 T C -1.0061
127 S C -0.9312
128 G C -1.1894
129 G C -1.2236
130 A C 0.0000
131 S C 0.0072
132 V C 0.0000
133 V C 1.0136
134 C C 0.0000
135 F C 0.8046
136 L C 0.0000
137 N C -0.5516
138 N C -1.2549
139 F C 0.0000
140 Y C 0.0000
141 P C -2.1029
142 K C -2.4187
143 D C -2.6832
144 I C -1.6495
145 N C -1.9624
146 V C -0.7857
147 K C -1.8362
148 W C 0.0000
149 K C -2.3740
150 I C 0.0000
151 D C -2.6788
152 G C -1.9821
153 S C -2.1402
154 E C -3.3424
155 R C -2.9979
156 Q C -2.6008
157 N C -1.9560
158 G C -0.6070
159 V C -0.0201
160 L C 1.0086
161 N C 0.2589
162 S C 0.2538
163 W C 0.1880
164 T C -0.6811
165 D C -1.5379
166 Q C 0.0000
167 D C -2.2968
168 S C -2.3708
169 K C -2.5198
170 D C -1.6934
171 S C 0.0000
172 T C 0.0000
173 Y C 0.0000
174 S C -0.6149
175 M C 0.0000
176 S C 0.4519
177 S C 0.0000
178 T C 0.7506
179 L C 0.0000
180 T C -0.1155
181 L C 0.0000
182 T C -1.6541
183 K C -2.6858
184 D C -3.7010
185 E C -3.3915
186 Y C 0.0000
187 E C -4.3209
188 R C -4.2138
189 H C -3.7509
190 N C -3.5766
191 S C -2.3549
192 Y C 0.0000
193 T C -1.1299
194 C C 0.0000
195 E C -0.5039
196 A C 0.0000
197 T C -1.1015
198 H C 0.0000
199 K C -2.5416
200 T C -1.3560
201 S C -0.7313
202 T C -0.6107
203 S C -0.3923
204 P C -0.4287
205 I C 0.4961
206 V C 0.5287
207 K C -0.0765
208 S C -0.5350
209 F C -0.9787
210 N C -2.6255
211 R C -3.1337
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Laboratory of Theory of Biopolymers 2018