Project name: c919a67d9c422f3

Status: done

Started: 2026-07-28 00:49:52
Settings
Chain sequence(s) H: EVQVVESGGGVIQPGGSLRLSCAASGFTVETNFMTWVRQAPGKGPEWVSVTYTSGTTYYADSVKGRFTVSRDNSKNTLFLQMNSLRAEDTAVYYCAKGHIVLIPPTVVRGGALDVWGQGTTVTVSS
L: DIQMTQSPSSLSASVGDRVTITCQASQNINNYLSWYQQKPGEAPRLLIYDGFNLQTGAPSRFSGRRSGTDFSFIISSLQPEDIATYYCQQYDSLPWTFGQGTKVELK
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                                          (00:01:10)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:11)
Show buried residues

Minimal score value
-2.6245
Maximal score value
2.5047
Average score
-0.5276
Total score value
-122.9295

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 -1.7019
2 V H -0.4653
3 Q H -0.7993
4 V H 0.0000
5 V H 0.3529
6 E H 0.0000
7 S H -0.5224
8 G H -0.8001
9 G H -0.2486
11 G H 0.4516
12 V H 1.4929
13 I H 0.2650
14 Q H -1.2057
15 P H -1.3723
16 G H -1.4140
17 G H -0.9114
18 S H -1.0219
19 L H -0.5940
20 R H -1.5035
21 L H 0.0000
22 S H -0.3521
23 C H 0.0000
24 A H -0.2636
25 A H -0.2351
26 S H -0.4831
27 G H -0.7391
28 F H -0.3656
29 T H -0.8511
30 V H 0.0000
35 E H -1.6209
36 T H -0.6611
37 N H 0.0000
38 F H 0.0000
39 M H 0.0000
40 T H 0.0000
41 W H 0.0000
42 V H 0.0000
43 R H 0.0000
44 Q H -0.8483
45 A H -1.2033
46 P H -0.9910
47 G H -1.4435
48 K H -2.3876
49 G H -1.6158
50 P H 0.0000
51 E H -1.1009
52 W H 0.0000
53 V H 0.0000
54 S H 0.0000
55 V H 0.0000
56 T H 0.0000
57 Y H -0.0309
58 T H -0.4291
59 S H -0.4385
63 G H -0.4417
64 T H -0.0288
65 T H 0.2271
66 Y H 0.2999
67 Y H -0.5257
68 A H -1.4111
69 D H -2.5834
70 S H -1.7177
71 V H 0.0000
72 K H -2.4794
74 G H -1.6967
75 R H -1.6119
76 F H 0.0000
77 T H -0.7145
78 V H 0.0000
79 S H -0.5238
80 R H -1.3604
81 D H -1.9857
82 N H -2.6245
83 S H -1.9964
84 K H -2.5267
85 N H -1.9791
86 T H -1.2550
87 L H 0.0000
88 F H -0.4072
89 L H 0.0000
90 Q H -1.0431
91 M H 0.0000
92 N H -1.2494
93 S H -1.2285
94 L H 0.0000
95 R H -2.2571
96 A H -1.6786
97 E H -2.1963
98 D H 0.0000
99 T H -0.6004
100 A H 0.0000
101 V H 0.0072
102 Y H 0.0000
103 Y H 0.0000
104 C H 0.0000
105 A H 0.0000
106 K H -0.3813
107 G H 0.0000
108 H H -0.0986
109 I H 0.0000
110 V H 1.3518
111 L H 1.7032
111A I H 2.5047
111B P H 1.2314
111C P H 0.7861
112D T H 1.1829
112C V H 2.2152
112B V H 1.6103
112A R H 0.5705
112 G H 0.0000
113 G H 0.0000
114 A H 0.0000
115 L H 0.0000
116 D H -0.8149
117 V H -0.2632
118 W H -0.4239
119 G H 0.0000
120 Q H -1.2050
121 G H -0.4983
122 T H -0.3103
123 T H 0.1077
124 V H 0.0000
125 T H 0.0838
126 V H 0.0000
127 S H -0.4813
128 S H -0.5352
1 D L -2.3224
2 I L 0.0000
3 Q L -2.0991
4 M L 0.0000
5 T L -1.0615
6 Q L 0.0000
7 S L -0.7839
8 P L -0.7364
9 S L -1.0550
10 S L -1.2738
11 L L -0.9974
12 S L -1.3423
13 A L 0.0000
14 S L -0.7465
15 V L 0.2496
16 G L -0.5613
17 D L -1.4631
18 R L -2.0241
19 V L 0.0000
20 T L -0.4314
21 I L 0.0000
22 T L -0.5898
23 C L 0.0000
24 Q L -1.6381
25 A L 0.0000
26 S L -1.6905
27 Q L -2.1213
28 N L -2.1847
29 I L 0.0000
36 N L -1.6053
37 N L -1.3108
38 Y L -0.3889
39 L L 0.0000
40 S L 0.0000
41 W L 0.0000
42 Y L 0.0000
43 Q L 0.0000
44 Q L -1.1546
45 K L -1.4639
46 P L -0.8339
47 G L -1.1542
48 E L -1.5125
49 A L -1.0970
50 P L 0.0000
51 R L -1.5411
52 L L 0.0000
53 L L 0.0000
54 I L 0.0000
55 Y L 0.1110
56 D L -0.3821
57 G L 0.0000
65 F L 0.2106
66 N L -0.0677
67 L L 0.3357
68 Q L -0.3241
69 T L -0.4228
70 G L -0.5187
71 A L -0.4833
72 P L -0.3657
74 S L -0.4202
75 R L -0.6794
76 F L 0.0000
77 S L -0.1208
78 G L -0.3892
79 R L -1.6671
80 R L -1.6646
83 S L -1.2860
84 G L -1.4433
85 T L -1.6465
86 D L -1.7055
87 F L 0.0000
88 S L 0.0000
89 F L 0.0000
90 I L -0.3472
91 I L 0.0000
92 S L -1.0565
93 S L -1.0049
94 L L 0.0000
95 Q L -0.7352
96 P L -1.0081
97 E L -1.9534
98 D L 0.0000
99 I L -1.1198
100 A L 0.0000
101 T L 0.0000
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 Y L 0.0000
108 D L -0.5325
109 S L -0.2488
114 L L 0.0643
115 P L -0.6120
116 W L 0.0000
117 T L -0.8228
118 F L 0.0000
119 G L 0.0000
120 Q L -1.9864
121 G L 0.0000
122 T L 0.0000
123 K L -2.3216
124 V L 0.0000
125 E L -1.7596
126 L L -0.7211
127 K L -1.5871
Download PDB file
View in 3Dmol
Play the video

Laboratory of Theory of Biopolymers 2018