Project name: 15E6G3

Status: done

Started: 2026-07-22 08:09:44
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Chain sequence(s) H: EVRLVETGGGLVQPKGSLKLSCAASGFTFNNTAMNWVRQAPGKGLEWVARIRSKYNNYATYYADSLKARFTISRDDSQSMVYLQMNNLKTEDTAMYYCVRGGNPYAMDYWGQGTSVTVSS
L: DVVMTQSPDILYVTPGHRVSLSCRASQSISDYLHWYQQKSHESPRLLIKYASQSISGIPSRFSGSGSGSDFTLSINSVEPEDVGVYYCQNGHSFPPTFGAGTKLELK
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]                                                (00:00:01)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:01)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with all chain(s) selected           (00:00:01)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:01)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:01)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:02:35)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:37)
Show buried residues

Minimal score value
-3.1019
Maximal score value
1.3107
Average score
-0.6382
Total score value
-144.8814

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 H -2.1811
2 V H -1.4018
3 R H -1.6875
4 L H 0.0000
5 V H 1.0340
6 E H 0.0000
7 T H -0.0442
8 G H -0.5376
9 G H -0.2955
11 G H 0.3681
12 L H 1.1320
13 V H -0.1887
14 Q H -1.7151
15 P H -2.3449
16 K H -3.1019
17 G H -2.0901
18 S H -1.6645
19 L H -0.8106
20 K H -1.4056
21 L H 0.0000
22 S H -0.0665
23 C H 0.0000
24 A H 0.1068
25 A H -0.3229
26 S H -0.8801
27 G H -1.2343
28 F H -0.6256
29 T H -0.5420
30 F H 0.0000
35 N H -1.4992
36 N H -1.6483
37 T H -1.1965
38 A H -1.0905
39 M H 0.0000
40 N H 0.0000
41 W H 0.0000
42 V H 0.0000
43 R H -0.6095
44 Q H -0.9448
45 A H -1.2907
46 P H -1.0382
47 G H -1.4540
48 K H -2.1972
49 G H -1.2021
50 L H 0.0000
51 E H -0.9032
52 W H 0.0000
53 V H 0.0000
54 A H 0.0000
55 R H -0.2024
56 I H 0.0000
57 R H -1.3959
58 S H 0.0000
59 K H -1.7524
60 Y H -0.2815
61 N H -1.1281
62 N H -1.4648
63 Y H -0.6865
64 A H -0.5458
65 T H -0.1353
66 Y H 0.2287
67 Y H -0.2976
68 A H 0.0000
69 D H -2.3650
70 S H -1.5975
71 L H 0.0000
72 K H -2.3129
74 A H -1.3210
75 R H -1.3115
76 F H 0.0000
77 T H -0.5675
78 I H 0.0000
79 S H -0.2406
80 R H 0.0000
81 D H -1.3401
82 D H -1.5713
83 S H -1.1779
84 Q H -1.5989
85 S H -0.9487
86 M H -0.4048
87 V H 0.0000
88 Y H -0.2802
89 L H 0.0000
90 Q H -0.9836
91 M H 0.0000
92 N H -1.9480
93 N H -2.8038
94 L H 0.0000
95 K H -2.8801
96 T H -1.9596
97 E H -2.2861
98 D H 0.0000
99 T H -0.7429
100 A H 0.0000
101 M H -0.1299
102 Y H 0.0000
103 Y H 0.0000
104 C H 0.0000
105 V H 0.0000
106 R H -0.4422
107 G H 0.0000
108 G H -0.7923
109 N H -1.4060
110 P H -0.9031
113 Y H -0.3855
114 A H 0.0000
115 M H 0.0000
116 D H -0.4757
117 Y H -0.0663
118 W H -0.2345
119 G H 0.0000
120 Q H -1.2119
121 G H 0.0000
122 T H -0.2167
123 S H -0.2351
124 V H 0.0000
125 T H -0.1162
126 V H 0.0000
127 S H -0.8459
128 S H -0.6909
1 D L -1.3078
2 V L -0.0478
3 V L 0.8527
4 M L 0.0000
5 T L -0.6550
6 Q L -0.9189
7 S L -1.0216
8 P L -0.8354
9 D L -1.5337
10 I L 0.1302
11 L L 0.4952
12 Y L 0.9082
13 V L 0.0000
14 T L -1.2616
15 P L -1.5004
16 G L -1.9052
17 H L -2.5469
18 R L -3.0388
19 V L 0.0000
20 S L -0.8050
21 L L 0.0000
22 S L -1.0720
23 C L 0.0000
24 R L -2.3880
25 A L 0.0000
26 S L -0.9875
27 Q L -1.6866
28 S L -1.4776
29 I L 0.0000
36 S L -0.9428
37 D L -1.0849
38 Y L -0.3233
39 L L 0.0000
40 H L 0.0000
41 W L 0.0000
42 Y L 0.0000
43 Q L 0.0000
44 Q L -0.8356
45 K L -1.2811
46 S L -1.0220
47 H L -1.7775
48 E L -1.9093
49 S L -1.2163
50 P L 0.0000
51 R L -0.8724
52 L L 0.0000
53 L L 0.0000
54 I L 0.0000
55 K L -0.6055
56 Y L -0.4357
57 A L 0.0000
65 S L -0.8441
66 Q L -1.0539
67 S L -0.6550
68 I L -0.3103
69 S L -0.3607
70 G L -0.4408
71 I L -0.2055
72 P L -0.2769
74 S L -0.5882
75 R L -1.1337
76 F L 0.0000
77 S L -0.7563
78 G L -0.5885
79 S L -0.8119
80 G L -1.1514
83 S L -1.1933
84 G L -1.3288
85 S L -1.9135
86 D L -2.3005
87 F L 0.0000
88 T L -0.8197
89 L L 0.0000
90 S L 0.0000
91 I L 0.0000
92 N L -2.5269
93 S L -2.1991
94 V L 0.0000
95 E L -1.8345
96 P L -1.5780
97 E L -2.0372
98 D L 0.0000
99 V L -0.2150
100 G L 0.0000
101 V L -0.1008
102 Y L 0.0000
103 Y L 0.0000
104 C L 0.0000
105 Q L 0.0000
106 N L 0.0000
107 G L 0.0326
108 H L -0.3218
109 S L 0.3329
114 F L 1.3107
115 P L 0.4072
116 P L 0.0000
117 T L 0.2661
118 F L 0.3179
119 G L 0.0000
120 A L -0.5275
121 G L -0.6961
122 T L 0.0000
123 K L -0.5020
124 L L 0.0000
125 E L 0.2801
126 L L -0.3387
127 K L -1.2788
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Laboratory of Theory of Biopolymers 2018