Project name: sabiking123

Status: done

Started: 2026-05-01 17:16:20
Settings
Chain sequence(s) H: EVQLLESGGGLVQPGGSLRLSCAASDDTFSRYDMSWVRQAPGKGLEWVSAEDGSDDETYYADSVKGRFTISRDNSKNTLYLQMNSLRAEDTAVYYCARDHYDSGYYRMDEVWGQGTLVTVSS
L: DIQMTQSPSSLSASVGDRVTITCRASRSISSYLNWYQQKPGKAPKLLIYAEDSLQSGVPSRFSGSGSGTDFTLTISSLQPEDFATYYCENWYDWPRTFGQGTKLEIK
input PDB
Selected Chain(s) H,L
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]                                                (00:00:09)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:09)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with all chain(s) selected           (00:00:09)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:09)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:09)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:03:57)
[INFO]       Main:     Simulation completed successfully.                                          (00:03:59)
Show buried residues

Minimal score value
-3.6442
Maximal score value
1.5866
Average score
-0.7249
Total score value
-166.0094

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
0 E H -2.8805
1 V H 0.0000
2 Q H -2.0309
3 L H 0.0000
4 L H 0.8526
5 E H 0.2947
6 S H -0.3175
7 G H -0.6086
8 G H 0.1432
9 G H 0.7300
10 L H 1.2746
11 V H 0.0000
12 Q H -1.4339
13 P H -1.6397
14 G H -1.4618
15 G H -1.0326
16 S H -1.3539
17 L H -1.1517
18 R H -2.2480
19 L H 0.0000
20 S H -0.4948
21 C H 0.0000
22 A H -0.2226
23 A H -1.2298
24 S H -2.1228
25 D H -3.3540
26 D H -3.1370
27 T H -1.8436
28 F H 0.0000
29 S H -1.9091
30 R H -2.2009
31 Y H 0.0000
32 D H 0.0000
33 M H 0.0000
34 S H 0.0000
35 W H 0.0000
36 V H 0.0000
37 R H 0.0000
38 Q H -0.7206
39 A H -1.1253
40 P H -0.8731
41 G H -1.5116
42 K H -2.4047
43 G H -1.6905
44 L H 0.0000
45 E H -1.2375
46 W H 0.0000
47 V H 0.0000
48 S H 0.0000
49 A H -0.3413
50 E H 0.0000
51 D H -2.2317
52 G H 0.0000
53 S H -2.2850
54 D H -3.3921
55 D H -3.6442
56 E H -3.2695
57 T H -1.6022
58 Y H -0.5704
59 Y H -0.5910
60 A H 0.0000
61 D H -2.6247
62 S H -1.7621
63 V H 0.0000
64 K H -2.4885
65 G H -1.6275
66 R H 0.0000
67 F H 0.0000
68 T H -0.8982
69 I H 0.0000
70 S H -0.9421
71 R H -1.2844
72 D H -1.6698
73 N H -2.1491
74 S H -1.7596
75 K H -2.5010
76 N H -2.2908
77 T H -1.0918
78 L H 0.0000
79 Y H -0.6610
80 L H 0.0000
81 Q H -1.5743
82 M H 0.0000
83 N H -1.4056
84 S H -1.2047
85 L H 0.0000
86 R H -2.3125
87 A H -1.7200
88 E H -2.2222
89 D H 0.0000
90 T H -0.4554
91 A H 0.0000
92 V H 0.5742
93 Y H 0.0000
94 Y H 0.0000
95 C H 0.0000
96 A H 0.0000
97 R H -0.2848
98 D H -0.5495
99 H H -0.4446
100 Y H -0.2535
101 D H -0.8044
102 S H -0.4462
103 G H -0.0601
104 Y H 1.0485
105 Y H 0.9237
106 R H 0.0051
107 M H 0.0000
108 D H -0.5555
109 E H 0.0000
110 V H -0.2342
111 W H -0.4348
112 G H 0.0000
113 Q H -1.3855
114 G H 0.0000
115 T H 0.0000
116 L H 1.5866
117 V H 0.0000
118 T H 0.2747
119 V H 0.0000
120 S H -0.6273
121 S H -0.6101
122 D L -2.3933
123 I L -1.7260
124 Q L -2.2407
125 M L 0.0000
126 T L -1.3070
127 Q L 0.0000
128 S L -0.9320
129 P L -0.6715
130 S L -0.9839
131 S L -1.2110
132 L L -0.7682
133 S L -1.1063
134 A L 0.0000
135 S L -0.5443
136 V L 0.0682
137 G L -0.8670
138 D L -1.7545
139 R L -2.3270
140 V L 0.0000
141 T L -0.6152
142 I L 0.0000
143 T L -0.7765
144 C L 0.0000
145 R L -2.7349
146 A L 0.0000
147 S L -2.1539
148 R L -2.7126
149 S L -1.4892
150 I L 0.0000
151 S L -0.4777
152 S L -0.4198
153 Y L 0.2489
154 L L 0.0000
155 N L 0.0000
156 W L 0.0000
157 Y L 0.0000
158 Q L 0.0000
159 Q L 0.0000
160 K L -1.5887
161 P L -1.1032
162 G L -1.6577
163 K L -2.5456
164 A L -1.6109
165 P L 0.0000
166 K L -1.4464
167 L L 0.0000
168 L L 0.0000
169 I L 0.0000
170 Y L -0.4404
171 A L -0.6651
172 E L -1.2853
173 D L -1.8991
174 S L -0.7877
175 L L -0.2065
176 Q L -0.4951
177 S L -0.4191
178 G L -0.4829
179 V L -0.3078
180 P L -0.3118
181 S L -0.4133
182 R L -0.7805
183 F L 0.0000
184 S L -0.6939
185 G L 0.0000
186 S L -1.1778
187 G L -1.2605
188 S L -0.9423
189 G L -1.1366
190 T L -1.6999
191 D L -1.9792
192 F L 0.0000
193 T L -0.9405
194 L L 0.0000
195 T L -0.5841
196 I L 0.0000
197 S L -1.3154
198 S L -1.1748
199 L L 0.0000
200 Q L -0.5829
201 P L -0.6246
202 E L -1.5305
203 D L 0.0000
204 F L 0.0277
205 A L 0.0000
206 T L -1.1020
207 Y L 0.0000
208 Y L 0.0000
209 C L 0.0000
210 E L 0.0000
211 N L 0.0000
212 W L 0.5588
213 Y L 0.8206
214 D L -0.7842
215 W L 0.4112
216 P L -0.2264
217 R L -0.2981
218 T L -0.6986
219 F L 0.0000
220 G L 0.0000
221 Q L -1.9197
222 G L 0.0000
223 T L 0.0000
224 K L -2.2158
225 L L 0.0000
226 E L -1.5587
227 I L 0.0718
228 K L -1.3182
Download PDB file
View in 3Dmol
Play the video

Laboratory of Theory of Biopolymers 2018