Project name: 1ce1ca635644b41

Status: done

Started: 2025-06-03 04:54:36
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Chain sequence(s) H: EVQLQESGGGVVQPGGSLRLSCAASGFTFSNYGMHWIRQAPGKGLEWVSYISSGSSTIYYADSVKGRFTISRDNSKNTLYLQMNSLRSEDTAVYYCARRGLLLDYWGQGTLVTVSS
L: DIQMTQSPSSLSASVGDRVTISCRASKSVSTSSYSYMHWYQQKPEKAPKLLIKYASYLQSGVPSRFSGSGSGTDFTLTISSLQPEDVATYYCQHSREFPWTFGAGTKLELK
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                                          (00:01:08)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:10)
Show buried residues

Minimal score value
-3.3804
Maximal score value
1.6331
Average score
-0.5923
Total score value
-134.4607

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 -2.0251
2 V H -0.9519
3 Q H -1.5306
4 L H -0.9939
5 Q H -1.6621
6 E H 0.0000
7 S H -0.6565
8 G H -0.6464
9 G H 0.2094
11 G H 0.9250
12 V H 1.6331
13 V H 0.0535
14 Q H -1.3320
15 P H -1.6814
16 G H -1.4939
17 G H -1.1645
18 S H -1.1511
19 L H -0.7839
20 R H -1.7306
21 L H 0.0000
22 S H -0.7179
23 C H 0.0000
24 A H -0.9702
25 A H 0.0000
26 S H -1.2672
27 G H -1.2001
28 F H -0.6371
29 T H -0.5216
30 F H 0.0000
35 S H -1.3260
36 N H -1.3925
37 Y H -0.4165
38 G H -0.2763
39 M H 0.0000
40 H H 0.0000
41 W H 0.0000
42 I H 0.0000
43 R H 0.0000
44 Q H -0.6249
45 A H -1.0507
46 P H -0.8094
47 G H -1.4564
48 K H -2.1762
49 G H -1.2759
50 L H 0.0000
51 E H -0.8724
52 W H 0.0000
53 V H 0.0000
54 S H 0.0000
55 Y H 0.0000
56 I H 0.0000
57 S H -0.2592
58 S H -0.8074
59 G H -0.9929
62 S H -0.4850
63 S H -0.2751
64 T H 0.2515
65 I H 1.0080
66 Y H 0.7258
67 Y H -0.3983
68 A H 0.0000
69 D H -2.4241
70 S H -1.7534
71 V H 0.0000
72 K H -2.4792
74 G H -1.6979
75 R H -1.4341
76 F H 0.0000
77 T H -0.6381
78 I H 0.0000
79 S H -0.2583
80 R H -1.0062
81 D H -1.5690
82 N H -1.9689
83 S H -1.6254
84 K H -2.4140
85 N H -1.8228
86 T H -1.2741
87 L H 0.0000
88 Y H -0.4339
89 L H 0.0000
90 Q H -1.1082
91 M H 0.0000
92 N H -1.3119
93 S H -1.2382
94 L H 0.0000
95 R H -2.3670
96 S H -1.9439
97 E H -2.3351
98 D H 0.0000
99 T H -0.4215
100 A H 0.0000
101 V H 0.7332
102 Y H 0.0000
103 Y H 0.0000
104 C H 0.0000
105 A H 0.0000
106 R H 0.0000
107 R H -0.1799
108 G H 0.0445
109 L H 0.6026
114 L H 0.0000
115 L H 0.0000
116 D H -0.1898
117 Y H 0.0913
118 W H 0.0000
119 G H 0.0000
120 Q H -2.0264
121 G H -0.9507
122 T H 0.1446
123 L H 1.5096
124 V H 0.0000
125 T H 0.3580
126 V H 0.0000
127 S H -0.5307
128 S H -0.5507
1 D L -2.1710
2 I L 0.0000
3 Q L -2.1548
4 M L 0.0000
5 T L -1.1955
6 Q L 0.0000
7 S L -0.6278
8 P L -0.5923
9 S L -0.7817
10 S L -1.2749
11 L L -1.0063
12 S L -1.3482
13 A L 0.0000
14 S L -0.9831
15 V L 0.0821
16 G L -0.7818
17 D L -1.9361
18 R L -2.4476
19 V L 0.0000
20 T L -0.6477
21 I L 0.0000
22 S L -0.8384
23 C L 0.0000
24 R L -2.6761
25 A L 0.0000
26 S L -1.7774
27 K L -1.7596
28 S L -1.0274
29 V L 0.0000
30 S L -0.1522
31 T L -0.0002
34 S L -0.1211
35 S L 0.1197
36 Y L 0.7711
37 S L 0.2160
38 Y L 0.2283
39 M 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 -1.6658
45 K L -2.2551
46 P L -1.9349
47 E L -3.1185
48 K L -3.3804
49 A L -1.9858
50 P L 0.0000
51 K L -1.4739
52 L L 0.0000
53 L L 0.0000
54 I L 0.0000
55 K L 0.4795
56 Y L 0.7279
57 A L 0.0000
65 S L 0.4840
66 Y L 1.3818
67 L L 0.8642
68 Q L -0.0573
69 S L -0.2850
70 G L -0.5792
71 V L 0.0000
72 P L -0.4076
74 S L -0.4768
75 R L -0.8093
76 F L 0.0000
77 S L -0.0909
78 G L -0.0120
79 S L -0.4551
80 G L -1.0237
83 S L -0.8004
84 G L -0.8405
85 T L -1.5012
86 D L -1.9537
87 F L 0.0000
88 T L -0.7399
89 L L 0.0000
90 T L -0.6464
91 I L 0.0000
92 S L -1.4992
93 S L -1.3379
94 L L 0.0000
95 Q L -0.9743
96 P L -1.0376
97 E L -1.5048
98 D L 0.0000
99 V L -1.0694
100 A L 0.0000
101 T L -1.1917
102 Y L 0.0000
103 Y L 0.0000
104 C L 0.0000
105 Q L 0.0000
106 H L 0.0000
107 S L -0.1423
108 R L -0.6936
109 E L -0.7121
114 F L 0.1152
115 P L -0.5036
116 W L 0.0000
117 T L -0.7915
118 F L 0.0000
119 G L 0.0000
120 A L -0.7326
121 G L 0.0000
122 T L 0.0000
123 K L -2.2165
124 L L 0.0000
125 E L -2.1548
126 L L -1.1890
127 K L -1.7086
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Laboratory of Theory of Biopolymers 2018