Project name: 2099246fc211d34

Status: done

Started: 2025-11-18 20:17:57
Settings
Chain sequence(s) L: IVMTQSPDSLAVSLGERATINCKSSESVSNDVAWYQQKPGQPPKLLINYAFHRFTGVPDRFSGSGYGTDFTLTISSLQAEDVAVYYCHQAYSSPYTFGQGTKLEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGEC
input PDB
Selected Chain(s) L
Distance of aggregation 5 Å
FoldX usage Yes
Dynamic mode No
Automated mutations No
Downloads Download all the data
Simulation log
[INFO]       Logger:   Verbosity set to: 2 - [INFO]                                                (00:00:28)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:28)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with L chain(s) selected             (00:00:28)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:28)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:28)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:05:07)
[INFO]       Main:     Simulation completed successfully.                                          (00:05:12)
Show buried residues

Minimal score value
-2.2014
Maximal score value
1.9208
Average score
-0.2929
Total score value
-62.381

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
2 I L 0.8936
3 V L 1.8768
4 M L 0.0000
5 T L -0.0480
6 Q L 0.0000
7 S L -0.1982
8 P L -0.4895
9 D L -1.8491
10 S L -0.6622
11 L L 0.2499
12 A L 0.0359
13 V L 0.1884
14 S L -0.0763
15 L L 0.6898
16 G L -0.3686
17 E L -1.9462
18 R L -2.1420
19 A L 0.0000
20 T L -0.0375
21 I L 0.0000
22 N L -0.3550
23 C L 0.0000
24 K L -1.4700
25 S L -0.3219
26 S L -0.5508
27 E L -1.8919
28 S L -0.5221
29 V L 0.0000
30 S L -0.1175
31 N L -0.3923
32 D L -0.7680
33 V L 0.0000
34 A L -0.0184
35 W L 0.0000
36 Y L 0.2733
37 Q L -0.1433
38 Q L -0.4186
39 K L -0.4897
40 P L -0.3822
41 G L -0.6653
42 Q L -0.9905
43 P L -0.4520
44 P L -0.5463
45 K L -1.2574
46 L L 0.0572
47 L L 0.0000
48 I L 0.0000
49 N L 0.0603
50 Y L 1.2824
51 A L 0.0000
52 F L 1.2535
53 H L -0.8789
54 R L -0.9140
55 F L 0.4379
56 T L -0.0460
57 G L -0.4794
58 V L 0.0000
59 P L -0.4933
60 D L -1.8731
61 R L -0.6308
62 F L 0.0000
63 S L -0.1073
64 G L 0.1048
65 S L 0.0078
66 G L 0.1202
67 Y L 1.2859
68 G L 0.1516
69 T L -0.1839
70 D L -0.9164
71 F L 0.0000
72 T L -0.0581
73 L L 0.0000
74 T L -0.0220
75 I L 0.0000
76 S L -0.3569
77 S L -0.1802
78 L L 0.0000
79 Q L -0.7565
80 A L -0.4086
81 E L -1.4961
82 D L 0.0000
83 V L 0.0000
84 A L 0.0000
85 V L -0.0235
86 Y L 0.0000
87 Y L 0.2575
88 C L 0.0000
89 H L 0.1522
90 Q L 0.0000
91 A L 0.2311
92 Y L 1.0058
93 S L 0.0574
94 S L -0.1502
95 P L -0.0831
96 Y L 1.1855
97 T L 0.5738
98 F L 1.9208
99 G L 0.0000
100 Q L -1.1983
101 G L 0.0000
102 T L 0.0000
103 K L -1.4080
104 L L 0.0000
105 E L -0.9892
106 I L 0.0000
107 K L -1.3346
108 R L -0.8393
109 T L 0.1461
110 V L 1.7609
111 A L 0.3405
112 A L 0.0256
113 P L 0.0000
114 S L -0.1715
115 V L 0.3719
116 F L 1.1810
117 I L 0.6753
118 F L 1.1290
119 P L 0.1165
120 P L 0.0000
121 S L -0.4286
122 D L -2.1410
123 E L -2.2014
124 Q L -0.5819
125 L L -0.1270
126 K L -1.6952
127 S L -0.5547
128 G L -0.2162
129 T L -0.1577
130 A L 0.0000
131 S L -0.0518
132 V L 0.0000
133 V L 0.3880
134 C L 0.0000
135 L L 0.3380
136 L L 0.0000
137 N L -0.6567
138 N L -0.6654
139 F L 0.0000
140 Y L 0.0000
141 P L -0.3384
142 R L -1.9437
143 E L -2.1114
144 A L -0.6348
145 K L -1.6625
146 V L -0.1733
147 Q L -0.2507
148 W L 0.0000
149 K L -0.2775
150 V L 0.0000
151 D L -1.4671
152 N L -1.5224
153 A L 0.1004
154 L L 1.4656
155 Q L -0.0722
156 S L -0.3574
157 G L -0.7390
158 N L -1.3718
159 S L -0.5270
160 Q L -1.5496
161 E L -2.0822
162 S L -0.4934
163 V L 0.2775
164 T L -0.3426
165 E L -1.8310
166 Q L 0.0000
167 D L -1.0158
168 S L -0.7775
169 K L -1.7920
170 D L -0.7206
171 S L 0.0000
172 T L 0.0000
173 Y L 0.0000
174 S L -0.0950
175 L L 0.0000
176 S L -0.0286
177 S L 0.0000
178 T L 0.0345
179 L L 0.0000
180 T L -0.0197
181 L L 0.1201
182 S L -0.2310
183 K L -0.6577
184 A L -0.3177
185 D L -1.4047
186 Y L 0.0000
187 E L -2.0840
188 K L -2.0692
189 H L -0.7379
190 K L -0.9641
191 V L 0.2979
192 Y L 0.0000
193 A L -0.0244
194 C L 0.0000
195 E L -0.3724
196 V L 0.0000
197 T L -0.0704
198 H L 0.0000
199 Q L -1.2252
200 G L -0.3103
201 L L 0.2037
202 S L -0.2016
203 S L -0.2907
204 P L -0.1726
205 V L 0.4127
206 T L -0.2306
207 K L -1.2638
208 S L -0.3653
209 F L 0.0293
210 N L -0.8898
211 R L -0.7714
212 G L -0.8774
213 E L -1.7737
214 C L 0.4018
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Laboratory of Theory of Biopolymers 2018