Project name: 343ac61ee947cfc

Status: done

Started: 2026-07-27 12:49:23
Settings
Chain sequence(s) H: QVQLLESGGGLVQPGGSLRLSCAASGFTFSTAAMSWVRQAPGKGLEWVSGISGSGSSTYYADSVKGRFTISRDNSKNTLYLQMNSLRAEDTAVYYCARELSYLYSGYYFDYWGQGTLVTVSS
L: QSVLTQPPSASGTPGQRVTISCSGSSSNIGSNDVSWYQQLPGTAPKLLIYKNYNRPSGVPDRFSGSKSGTSASLAISGLQSEDEADYYCSAWDQRQFDVVFGGGTKLTVL
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]                                                (00:00:00)
[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 all chain(s) selected           (00:00:00)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:00)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:00)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:02:35)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:36)
Show buried residues

Minimal score value
-3.0008
Maximal score value
2.4977
Average score
-0.5133
Total score value
-119.0854

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 H -1.4077
2 V H -0.7686
3 Q H -0.7695
4 L H 0.0000
5 L H 0.8326
6 E H 0.0000
7 S H -0.3268
8 G H -0.6958
9 G H 0.1117
10 G H 0.6538
11 L H 1.3772
12 V H -0.1092
13 Q H -1.4659
14 P H -1.8796
15 G H -1.5650
16 G H -1.0520
17 S H -1.2493
18 L H -0.7574
19 R H -1.8318
20 L H 0.0000
21 S H -0.3854
22 C H 0.0000
23 A H -0.1595
24 A H 0.0000
25 S H -0.8058
26 G H -0.9151
27 F H -0.3713
28 T H -0.2556
29 F H 0.0000
30 S H -0.6816
31 T H -0.2664
32 A H 0.0000
33 A H -0.1640
34 M H 0.0000
35 S H 0.0000
36 W H 0.0000
37 V H 0.0000
38 R H 0.0000
39 Q H -0.7686
40 A H -1.1427
41 P H -0.9983
42 G H -1.4581
43 K H -2.3708
44 G H -1.6246
45 L H 0.0000
46 E H -1.5684
47 W H 0.0000
48 V H 0.0000
49 S H 0.0000
50 G H 0.0000
51 I H 0.0000
52 S H -0.3187
53 G H -0.4871
54 S H -0.6541
55 G H -0.6958
56 S H -0.4382
57 S H -0.2052
58 T H 0.0885
59 Y H 0.2950
60 Y H -0.6256
61 A H 0.0000
62 D H -2.6540
63 S H -1.9059
64 V H 0.0000
65 K H -2.6724
66 G H -1.8859
67 R H -1.7415
68 F H 0.0000
69 T H -0.7867
70 I H 0.0000
71 S H -0.4634
72 R H -1.1129
73 D H -1.8105
74 N H -1.9466
75 S H -1.7277
76 K H -2.4711
77 N H -1.8445
78 T H 0.0000
79 L H 0.0000
80 Y H -0.5335
81 L H 0.0000
82 Q H -1.1123
83 M H 0.0000
84 N H -1.5246
85 S H -1.5023
86 L H 0.0000
87 R H -3.0008
88 A H -2.1070
89 E H -2.5622
90 D H -1.6980
91 T H -0.5618
92 A H 0.0000
93 V H 0.8004
94 Y H 0.0000
95 Y H 0.0000
96 C H 0.0000
97 A H 0.0000
98 R H -0.0847
99 E H 0.0000
100 L H 0.5974
101 S H 0.8833
102 Y H 1.6000
103 L H 2.4977
104 Y H 2.2142
105 S H 1.0236
106 G H 0.0000
107 Y H 0.9434
108 Y H 0.0000
109 F H 0.0000
110 D H -0.2952
111 Y H -0.1146
112 W H -0.2642
113 G H 0.0000
114 Q H -0.7782
115 G H 0.0000
116 T H 0.5653
117 L H 1.6136
118 V H 0.0000
119 T H 0.2699
120 V H 0.0000
121 S H -0.7666
122 S H -0.4958
123 Q L -0.7890
124 S L -0.4968
125 V L 0.8737
126 L L 0.0000
127 T L 0.0198
128 Q L 0.0000
129 P L -0.6760
130 P L -0.9923
131 S L -1.1380
132 A L -0.7269
133 S L -0.5711
134 G L 0.0000
135 T L -0.3744
136 P L -0.9245
137 G L -1.7106
138 Q L -2.4564
139 R L -2.7241
140 V L 0.0000
141 T L -0.5979
142 I L 0.0000
143 S L -0.3658
144 C L 0.0000
145 S L -0.2814
146 G L -0.2505
147 S L -0.4827
148 S L -0.7580
149 S L -1.2329
150 N L 0.0000
151 I L 0.0000
152 G L -0.9043
153 S L -0.7426
154 N L 0.0000
155 D L -0.3822
156 V L 0.0000
157 S L 0.0000
158 W L 0.0000
159 Y L 0.0000
160 Q L 0.0000
161 Q L 0.0000
162 L L -0.6176
163 P L -0.4079
164 G L -0.6332
165 T L -0.6547
166 A L -0.6918
167 P L 0.0000
168 K L -1.3523
169 L L 0.0000
170 L L 0.0000
171 I L 0.0000
172 Y L -0.4299
173 K L -0.7399
174 N L -0.5813
175 Y L -0.0522
176 N L -0.8434
177 R L -1.5528
178 P L -1.0059
179 S L -0.7147
180 G L -0.8868
181 V L -1.0770
182 P L -1.4092
183 D L -2.3411
184 R L -1.7579
185 F L 0.0000
186 S L -0.7876
187 G L -0.3385
188 S L -0.5144
189 K L -0.9328
190 S L -0.8519
191 G L -0.9344
192 T L -0.7779
193 S L -0.7402
194 A L 0.0000
195 S L -0.3728
196 L L 0.0000
197 A L -0.6802
198 I L 0.0000
199 S L -1.9176
200 G L -1.6619
201 L L 0.0000
202 Q L -1.4938
203 S L -1.4107
204 E L -2.2994
205 D L 0.0000
206 E L -1.8079
207 A L 0.0000
208 D L -1.2220
209 Y L 0.0000
210 Y L 0.0000
211 C L 0.0000
212 S L 0.0000
213 A L 0.0000
214 W L 0.0000
215 D L 0.0000
216 Q L -1.7412
217 R L -2.3237
218 Q L -1.3470
219 F L 0.6832
220 D L -0.1802
221 V L 0.0000
222 V L 0.2687
223 F L 0.0000
224 G L 0.0000
225 G L -1.0372
226 G L -1.1592
227 T L 0.0000
228 K L -2.1733
229 L L 0.0000
230 T L -0.7158
231 V L -0.2249
232 L L 1.3405
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Laboratory of Theory of Biopolymers 2018