Project name: 13.34E7

Status: done

Started: 2026-07-07 08:29:28
Settings
Chain sequence(s) H: EVQLQQSGPELVKPGASVKISCRTSGYTFTDYYMNWVKRSHGKSLEWIGDIYPNNGVTTYNRKFKGKATLTVDKSSSTAYMELRSLTSEDSSVYYCAKTGDWTVGYFDVWGTGTTVTVSS
L: QIVLTQSPAIMSASPGEKVTISCSASSSVSYMYWYQQKPGSSPKPWIYRTSNLASGVPARFSGSGSGTSYSLTISSMEAEDAATYYCQQYHSYPRTFGGGTKLEIK
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                                          (00:01:45)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:46)
Show buried residues

Minimal score value
-3.3136
Maximal score value
1.4897
Average score
-0.5292
Total score value
-119.5944

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 -1.9975
2 V H -1.0388
3 Q H -2.0765
4 L H 0.0000
5 Q H -2.2573
6 Q H 0.0000
7 S H -1.1072
8 G H -0.7906
9 P H -0.4389
11 E H -0.4553
12 L H 0.7839
13 V H -0.2872
14 K H -1.7070
15 P H -1.3963
16 G H -1.2198
17 A H -0.9725
18 S H -1.0781
19 V H -0.7993
20 K H -1.3696
21 I H 0.0000
22 S H -0.9133
23 C H 0.0000
24 R H -2.5017
25 T H 0.0000
26 S H -1.5223
27 G H -1.1263
28 Y H -0.6143
29 T H -0.4430
30 F H 0.0000
35 T H -1.2458
36 D H -1.2667
37 Y H 0.0581
38 Y H 0.7240
39 M H 0.0000
40 N H 0.0000
41 W H 0.0000
42 V H 0.0000
43 K H 0.0000
44 R H 0.0000
45 S H -1.5227
46 H H -1.9194
47 G H -1.7801
48 K H -2.4343
49 S H -1.4114
50 L H 0.0000
51 E H -1.0038
52 W H 0.0000
53 I H 0.0000
54 G H 0.0000
55 D H 0.0000
56 I H 0.0000
57 Y H 0.1721
58 P H 0.0000
59 N H -1.5860
62 N H -1.3862
63 G H -0.4086
64 V H 0.8444
65 T H 0.5539
66 T H 0.0233
67 Y H -1.0948
68 N H 0.0000
69 R H -3.3136
70 K H -3.2106
71 F H 0.0000
72 K H -3.0598
74 G H -2.0239
75 K H -1.8190
76 A H 0.0000
77 T H -0.7627
78 L H 0.0000
79 T H 0.0937
80 V H -0.5328
81 D H -1.3605
82 K H -1.9392
83 S H -1.0082
84 S H -1.0367
85 S H -1.2576
86 T H 0.0000
87 A H 0.0000
88 Y H -0.3590
89 M H 0.0000
90 E H -0.9471
91 L H 0.0000
92 R H -1.2336
93 S H -1.0663
94 L H 0.0000
95 T H -1.2671
96 S H -1.4454
97 E H -2.0661
98 D H 0.0000
99 S H -0.7271
100 S H 0.0000
101 V H 0.0207
102 Y H 0.0000
103 Y H 0.0000
104 C H 0.0000
105 A H 0.0000
106 K H 0.0000
107 T H 0.2335
108 G H 0.1562
109 D H 0.0616
110 W H 0.9051
111 T H 0.3868
112 V H 0.0000
113 G H 0.0000
114 Y H 0.1599
115 F H 0.0000
116 D H -0.4945
117 V H -0.3114
118 W H 0.0000
119 G H 0.0000
120 T H -0.5888
121 G H -0.3565
122 T H 0.0000
123 T H -0.0909
124 V H 0.0000
125 T H -0.2153
126 V H 0.0000
127 S H -0.6017
128 S H -0.7465
1 Q L -0.9131
2 I L 0.0000
3 V L 1.2325
4 L L 0.0000
5 T L 0.0743
6 Q L 0.0000
7 S L -0.0879
8 P L 0.2841
9 A L 0.6249
10 I L 1.4897
11 M L 0.4273
12 S L -0.7325
13 A L 0.0000
14 S L -1.7576
15 P L -1.8849
16 G L -1.9653
17 E L -2.8653
18 K L -2.7350
19 V L 0.0000
20 T L -0.6946
21 I L 0.0000
22 S L -0.3481
23 C L 0.0000
24 S L -0.1952
25 A L 0.0000
26 S L 0.0380
27 S L -0.2677
28 S L -0.5965
29 V L 0.0000
37 S L -0.3411
38 Y L 0.0369
39 M L 0.0000
40 Y L 0.0000
41 W L 0.0000
42 Y L 0.0000
43 Q L 0.0000
44 Q L -1.0986
45 K L -1.3797
46 P L -0.8117
47 G L -0.8151
48 S L -0.8947
49 S L -0.7423
50 P L 0.0000
51 K L -1.8033
52 P L 0.0000
53 W L -0.4600
54 I L 0.0000
55 Y L -0.2295
56 R L -0.5467
57 T L 0.0000
65 S L -0.7492
66 N L -1.0824
67 L L -0.2193
68 A L 0.0000
69 S L -0.4286
70 G L -0.4025
71 V L -0.1277
72 P L -0.0835
74 A L -0.0623
75 R L -0.6412
76 F L 0.0000
77 S L -0.4190
78 G L -0.5219
79 S L -0.6405
80 G L -0.5992
83 S L -0.5438
84 G L -0.5457
85 T L -0.5273
86 S L -0.6383
87 Y L 0.0000
88 S L -0.3912
89 L L 0.0000
90 T L -0.5916
91 I L 0.0000
92 S L -1.4313
93 S L -1.8254
94 M L 0.0000
95 E L -2.2985
96 A L -1.6617
97 E L -2.2487
98 D L 0.0000
99 A L -1.4560
100 A L 0.0000
101 T L -0.5427
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 -0.0444
108 H L -0.6391
109 S L -0.4939
114 Y L -0.2024
115 P L 0.0000
116 R L -0.2193
117 T L 0.0000
118 F L 0.0000
119 G L 0.0000
120 G L -0.7395
121 G L 0.0000
122 T L 0.0000
123 K L -0.4491
124 L L 0.0000
125 E L -1.4318
126 I L -1.0897
127 K L -1.8097
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Laboratory of Theory of Biopolymers 2018