Project name: 3f4c1d1613d2b2d

Status: done

Started: 2025-02-11 18:44:16
Settings
Chain sequence(s) B: EVQLVESGGGLVQPGGSLRLSCAASGFTFSRYWMSWFRQAPGKGREWVANIKQDGSEKYYVDSVKGRFTISRDNAKRMVYLQMNSLRAEDTAVYYCAREGGWFGELAFDYWGQGTQVTVSSGGGGSGGGSEVQLVESGGGLVQPGGSLRLSCAASGFTFSSYTMHWFRQAPGKGREWVTFISYDGNNKYYADSVKGRFTISRDNAKRMVYLQMNSLRAEDTAVYYCARTGWLGPFDYWGQGTQVTVSSEDLYFQS
input PDB
Selected Chain(s) B
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 B chain(s) selected             (00:00:00)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:00)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:01)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:01:47)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:49)
Show buried residues

Minimal score value
-3.0106
Maximal score value
2.1224
Average score
-0.6811
Total score value
-173.6838

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 B -2.1196
2 V B -1.1866
3 Q B -0.9552
4 L B 0.0000
5 V B 1.2449
6 E B 0.0000
7 S B -0.4924
8 G B -1.0994
9 G B -0.7231
10 G B -0.0391
11 L B 0.9650
12 V B 0.0000
13 Q B -1.5546
14 P B -1.8022
15 G B -1.6119
16 G B -1.1911
17 S B -1.5100
18 L B -0.9278
19 R B -1.9192
20 L B 0.0000
21 S B -0.2339
22 C B 0.0000
23 A B 0.0358
24 A B 0.0000
25 S B -0.7870
26 G B -1.2840
27 F B -0.7735
28 T B -0.6813
29 F B 0.0000
30 S B -1.8000
31 R B -2.2603
32 Y B -1.1161
33 W B -0.9465
34 M B 0.0000
35 S B 0.0000
36 W B 0.0000
37 F B 0.0000
38 R B 0.0000
39 Q B -0.9750
40 A B -0.8373
41 P B -0.7015
42 G B -1.1204
43 K B -1.3515
44 G B -1.1782
45 R B -1.2720
46 E B -0.6574
47 W B 0.0000
48 V B 0.0000
49 A B 0.0000
50 N B 0.0000
51 I B 0.0000
52 K B -2.0673
53 Q B -2.2719
54 D B -2.8551
55 G B -2.0579
56 S B -1.7547
57 E B -2.1022
58 K B -1.2655
59 Y B -0.4876
60 Y B -0.6145
61 V B 0.0000
62 D B -2.2974
63 S B -1.7005
64 V B 0.0000
65 K B -2.5694
66 G B -1.8656
67 R B -1.8115
68 F B 0.0000
69 T B -1.0212
70 I B 0.0000
71 S B -0.6588
72 R B -1.2142
73 D B -1.5714
74 N B -2.0557
75 A B -1.3034
76 K B -2.1798
77 R B -1.6354
78 M B -0.7476
79 V B 0.0000
80 Y B -0.4505
81 L B 0.0000
82 Q B -1.4390
83 M B 0.0000
84 N B -2.1465
85 S B -1.6217
86 L B 0.0000
87 R B -2.3458
88 A B -1.4597
89 E B -1.3936
90 D B 0.0000
91 T B -0.5330
92 A B 0.0000
93 V B -0.4348
94 Y B 0.0000
95 Y B 0.0000
96 C B 0.0000
97 A B 0.0000
98 R B 0.0000
99 E B -0.2951
100 G B 0.0935
101 G B 0.4060
102 W B 1.7537
103 F B 2.1224
104 G B 0.7215
105 E B 0.3770
106 L B 0.7788
107 A B 0.8217
108 F B 0.5925
109 D B 0.4109
110 Y B 0.3955
111 W B 0.3717
112 G B 0.0464
113 Q B -0.8906
114 G B -0.5176
115 T B -0.6729
116 Q B -1.0962
117 V B 0.0000
118 T B -0.2290
119 V B 0.0000
120 S B -0.7940
121 S B -1.4280
122 G B -1.2636
123 G B -1.1407
124 G B -1.1981
125 G B -1.2433
126 S B -1.1002
127 G B -1.2410
128 G B -1.3255
129 G B -1.2891
130 S B -1.1147
131 E B -1.3724
132 V B -0.6283
133 Q B -0.7702
134 L B 0.0000
135 V B 0.6165
136 E B 0.0000
137 S B -0.6108
138 G B -1.0566
139 G B -0.8112
140 G B -0.2847
141 L B 0.5512
142 V B 0.0000
143 Q B -2.0794
144 P B -2.1173
145 G B -1.6837
146 G B -1.2579
147 S B -1.5129
148 L B -0.9594
149 R B -1.8527
150 L B 0.0000
151 S B -0.3436
152 C B 0.0000
153 A B -0.1736
154 A B 0.0000
155 S B -0.4369
156 G B -0.6903
157 F B -0.2137
158 T B -0.1729
159 F B 0.0000
160 S B -0.5338
161 S B -0.0944
162 Y B 0.4391
163 T B 0.0796
164 M B 0.0000
165 H B 0.0000
166 W B 0.0000
167 F B 0.0000
168 R B 0.0000
169 Q B -1.3809
170 A B -1.5681
171 P B -1.1273
172 G B -1.6098
173 K B -2.5488
174 G B -1.9414
175 R B -1.3362
176 E B -1.0732
177 W B -0.0835
178 V B 0.0000
179 T B 0.0000
180 F B 0.4918
181 I B 0.0000
182 S B 0.0000
183 Y B -0.0848
184 D B -2.0719
185 G B -1.9182
186 N B -2.4548
187 N B -2.0331
188 K B -0.8857
189 Y B 0.4270
190 Y B -0.3465
191 A B -1.0051
192 D B -2.3403
193 S B -1.7394
194 V B 0.0000
195 K B -2.4599
196 G B -1.8771
197 R B -1.8269
198 F B 0.0000
199 T B -0.8829
200 I B 0.0000
201 S B -0.8180
202 R B -1.2422
203 D B -1.9323
204 N B -1.7888
205 A B -1.4152
206 K B -2.3038
207 R B -1.7592
208 M B -0.9837
209 V B 0.0000
210 Y B -0.5462
211 L B 0.0000
212 Q B -1.4231
213 M B 0.0000
214 N B -2.1491
215 S B -1.6934
216 L B 0.0000
217 R B -3.0106
218 A B -2.0218
219 E B -2.4391
220 D B 0.0000
221 T B -1.0149
222 A B 0.0000
223 V B -0.3039
224 Y B 0.0000
225 Y B -0.1606
226 C B 0.0000
227 A B 0.0000
228 R B 0.0000
229 T B 0.3923
230 G B 0.7119
231 W B 1.3377
232 L B 1.4057
233 G B 0.5459
234 P B 0.3467
235 F B 0.0000
236 D B 0.0000
237 Y B -0.2661
238 W B -0.3487
239 G B 0.0000
240 Q B -1.3334
241 G B 0.0000
242 T B -0.6752
243 Q B -1.1271
244 V B 0.0000
245 T B -0.5640
246 V B 0.0000
247 S B -1.6760
248 S B -2.0655
249 E B -2.6748
250 D B -1.9320
251 L B 0.2640
252 Y B 1.3610
253 F B 1.8685
254 Q B 0.1383
255 S B 0.0038
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Laboratory of Theory of Biopolymers 2018