Project name: dc3

Status: done

Started: 2025-06-25 14:00:51
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Chain sequence(s) H: DVQLQESGGGSVQAGGSLRLSCEASGNTYCVGWFRQAPGKEREGVAAIARLTGRTLYDDSVKGRFTISQDNAKNTLYLQMNDLKPEDTAMYYCAADLCPAGTWLRADQYKYWGQGTQVTVSS
input PDB
Selected Chain(s) H
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 H 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                                          (00:00:52)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:53)
Show buried residues

Minimal score value
-3.3776
Maximal score value
1.7542
Average score
-0.8888
Total score value
-108.4356

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 D H -2.1367
2 V H -1.6424
3 Q H -2.0135
4 L H 0.0000
5 Q H -1.9750
6 E H 0.0000
7 S H -1.1591
8 G H -0.9837
9 G H -0.8850
11 G H -0.6844
12 S H -0.5543
13 V H -0.6791
14 Q H -1.6998
15 A H -1.8262
16 G H -1.8734
17 G H -1.4263
18 S H -1.3508
19 L H -0.9129
20 R H -1.4041
21 L H 0.0000
22 S H -0.9023
23 C H 0.0000
24 E H -2.1462
25 A H -1.7937
26 S H -1.7881
27 G H -1.5902
28 N H -1.3791
29 T H 0.0000
37 Y H 1.7542
38 C H 0.0000
39 V H 0.0000
40 G H 0.0000
41 W H 0.0000
42 F H 0.0000
43 R H 0.0000
44 Q H -1.8354
45 A H -1.8016
46 P H -1.2867
47 G H -1.9139
48 K H -3.2561
49 E H -3.3776
50 R H -2.7471
51 E H -2.2125
52 G H -1.1720
53 V H 0.0000
54 A H 0.0000
55 A H 0.0000
56 I H 0.0000
57 A H 0.2664
58 R H 0.2315
59 L H 1.3268
62 T H -0.1250
63 G H -0.7941
64 R H -1.4933
65 T H -0.2642
66 L H 0.8467
67 Y H -0.1739
68 D H -1.3129
69 D H -2.5405
70 S H -1.9193
71 V H 0.0000
72 K H -2.5215
74 G H -2.0030
75 R H -2.0510
76 F H 0.0000
77 T H -0.5176
78 I H 0.0000
79 S H -0.7153
80 Q H -1.3183
81 D H -1.8986
82 N H -2.2507
83 A H -1.6747
84 K H -2.6572
85 N H -2.4510
86 T H 0.0000
87 L H 0.0000
88 Y H -0.5628
89 L H 0.0000
90 Q H -0.8601
91 M H 0.0000
92 N H -1.9168
93 D H -2.6850
94 L H 0.0000
95 K H -2.3420
96 P H -1.6808
97 E H -2.1801
98 D H 0.0000
99 T H -0.9451
100 A H 0.0000
101 M H -0.3322
102 Y H 0.0000
103 Y H -0.3335
104 C H 0.0000
105 A H 0.0000
106 A H 0.0000
107 D H 0.0000
108 L H 1.6067
109 C H 0.0000
110 P H 0.1817
111 A H -0.3712
111A G H -0.6610
111B T H -0.6956
112C W H 0.0689
112B L H -0.2391
112A R H -2.2325
112 A H -2.2492
113 D H -2.6567
114 Q H -1.6280
115 Y H 0.0000
116 K H -1.4548
117 Y H -0.4610
118 W H -0.4087
119 G H -0.9964
120 Q H -1.4532
121 G H 0.0000
122 T H -0.7935
123 Q H -0.7594
124 V H 0.0000
125 T H -0.7863
126 V H 0.0000
127 S H -1.1211
128 S H -0.8211
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Laboratory of Theory of Biopolymers 2018