Project name: 9dcf16bd1a64fc2

Status: done

Started: 2026-03-29 08:20:41
Settings
Chain sequence(s) H: EVQLVESGGGLVQPGGSLRLSCAASGFNIKDTYIHWVRQAPGKGLEWVARIYPTNGYTRYADSVKGRFTISADTSKNTAYLQMNSLRAEDTAVYYCSRWGGDGFYAMDYWGQGTLVTVSS
L: DIQMTQSPSSLSASVGDRVTITCRASQDVNTAVAWYQQKPGKAPKLLIYSASFLYSGVPSRFSGSRSGTDFTLTISSLQPEDFATYYCQQHYTTPPTFGQGTKVEIK
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                                          (00:01:06)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:07)
Show buried residues

Minimal score value
-2.7687
Maximal score value
2.2536
Average score
-0.6355
Total score value
-144.2594

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 -2.0619
2 V H -1.2865
3 Q H -1.3045
4 L H 0.0000
5 V H 0.1426
6 E H 0.0000
7 S H -0.4231
8 G H -0.7737
9 G H 0.0863
11 G H 0.8474
12 L H 1.3405
13 V H 0.0000
14 Q H -1.3990
15 P H -1.6928
16 G H -1.5578
17 G H -1.1414
18 S H -1.5090
19 L H -1.1669
20 R H -2.2425
21 L H 0.0000
22 S H -0.5073
23 C H 0.0000
24 A H -0.2850
25 A H -0.6129
26 S H -0.9105
27 G H -1.2560
28 F H -1.1806
29 N H -1.8514
30 I H 0.0000
35 K H -2.3871
36 D H -2.7687
37 T H 0.0000
38 Y H -0.4841
39 I H 0.0000
40 H H 0.0000
41 W H 0.0000
42 V H 0.0000
43 R H 0.0000
44 Q H -0.6314
45 A H -1.0311
46 P H -0.8262
47 G H -1.4625
48 K H -2.3858
49 G H -1.6710
50 L H 0.0000
51 E H -1.0337
52 W H 0.0000
53 V H 0.0000
54 A H 0.0000
55 R H -0.2612
56 I H 0.0000
57 Y H -0.3486
58 P H -0.9724
59 T H -1.1168
62 N H -0.9016
63 G H -0.4522
64 Y H 0.6756
65 T H -0.0170
66 R H -1.0512
67 Y H -1.3968
68 A H -1.6120
69 D H -2.6076
70 S H -1.7754
71 V H 0.0000
72 K H -2.7559
74 G H -1.8147
75 R H -1.7046
76 F H 0.0000
77 T H -1.2021
78 I H 0.0000
79 S H -0.1663
80 A H -0.7789
81 D H -1.2548
82 T H -1.3966
83 S H -1.4333
84 K H -2.1222
85 N H -1.5635
86 T H -0.8138
87 A H 0.0000
88 Y H -0.5368
89 L H 0.0000
90 Q H -1.7149
91 M H 0.0000
92 N H -2.0081
93 S H -1.4679
94 L H 0.0000
95 R H -2.4334
96 A H -1.7379
97 E H -2.2574
98 D H 0.0000
99 T H -0.3869
100 A H 0.0000
101 V H 0.7142
102 Y H 0.0000
103 Y H 0.0000
104 C H 0.0000
105 S H 0.0000
106 R H -0.3329
107 W H 0.0000
108 G H -0.5877
109 G H -1.3130
110 D H -2.1710
111 G H -1.1324
112 F H -0.3882
113 Y H -0.0137
114 A H 0.0000
115 M H 0.0000
116 D H -0.3058
117 Y H -0.4208
118 W H 0.0000
119 G H 0.0000
120 Q H -1.5489
121 G H -0.4460
122 T H 0.4643
123 L H 1.6945
124 V H 0.0000
125 T H 0.3178
126 V H 0.0000
127 S H -0.5870
128 S H -0.5636
1 D L -2.2351
2 I L 0.0000
3 Q L -2.3046
4 M L 0.0000
5 T L -1.4314
6 Q L 0.0000
7 S L -0.8683
8 P L -0.6184
9 S L -0.8554
10 S L -0.8481
11 L L -0.6149
12 S L -0.9808
13 A L 0.0000
14 S L -0.9601
15 V L -0.0781
16 G L -0.9502
17 D L -2.2081
18 R L -2.5252
19 V L 0.0000
20 T L -0.6723
21 I L 0.0000
22 T L -0.7315
23 C L 0.0000
24 R L -2.7018
25 A L 0.0000
26 S L -2.0480
27 Q L -2.4594
28 D L -2.0884
29 V L 0.0000
36 N L -1.4432
37 T L -0.7793
38 A L -0.0674
39 V L 0.0000
40 A L 0.0000
41 W L 0.0000
42 Y L 0.0000
43 Q L 0.0000
44 Q L 0.0000
45 K L -1.7331
46 P L -1.1880
47 G L -1.6679
48 K L -2.7006
49 A L -1.7890
50 P L 0.0000
51 K L -1.9201
52 L L 0.0000
53 L L 0.0000
54 I L 0.0000
55 Y L 1.1606
56 S L 0.4805
57 A L 0.0000
65 S L 0.7576
66 F L 2.2536
67 L L 1.5575
68 Y L 0.6997
69 S L 0.0823
70 G L -0.3837
71 V L -0.2454
72 P L -0.2689
74 S L -0.3274
75 R L -0.6883
76 F L 0.0000
77 S L 0.1005
78 G L 0.1046
79 S L -0.5243
80 R L -1.5341
83 S L -1.1733
84 G L -1.6020
85 T L -1.9321
86 D L -1.8525
87 F L 0.0000
88 T L -0.7405
89 L L 0.0000
90 T L -0.5981
91 I L 0.0000
92 S L -1.3484
93 S L -1.3366
94 L L 0.0000
95 Q L -0.8704
96 P L -0.8875
97 E L -1.6193
98 D L 0.0000
99 F L -0.2671
100 A L 0.0000
101 T L -0.7763
102 Y L 0.0000
103 Y L 0.0000
104 C L 0.0000
105 Q L 0.0000
106 Q L 0.0000
107 H L 0.2916
108 Y L 0.4619
109 T L 0.0144
114 T L -0.3796
115 P L -0.7728
116 P L 0.0000
117 T L -0.7770
118 F L 0.0000
119 G L 0.0000
120 Q L -1.8995
121 G L 0.0000
122 T L 0.0000
123 K L -1.3747
124 V L 0.0000
125 E L -1.1291
126 I L -0.4814
127 K L -1.5302
Download PDB file
View in 3Dmol
Play the video

Laboratory of Theory of Biopolymers 2018