Project name: 292e6601cd6ebfc

Status: done

Started: 2026-06-23 19:51:31
Settings
Chain sequence(s) H: EVQLVESGGGVVQPGGSLRLSCAASGFTFNSYGMHWVRQAPGKGLEWVAFIRYDGGNKYYADSVKGRFTISRDNSKNTLYLQMKSLRAEDTAVYYCANLKDSRYSGSYYDYWGQGTLVTVS
L: VIWMTQSPSSLSASVGDRVTITCQASQDIRFYLNWYQQKPGKAPKLLISDASNMETGVPSRFSGSGSGTDFTFTISSLQPEDIATYYCQQYDNLPFTFGPGTKVDFK
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                                          (00:01:35)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:37)
Show buried residues

Minimal score value
-2.5521
Maximal score value
1.6555
Average score
-0.5251
Total score value
-119.7226

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 -2.0232
2 V H -1.0660
3 Q H -1.1555
4 L H 0.0000
5 V H 0.6741
6 E H 0.0000
7 S H -0.2164
8 G H -0.6601
9 G H 0.2022
11 G H 0.9589
12 V H 1.6555
13 V H 0.1302
14 Q H -1.2739
15 P H -1.7620
16 G H -1.6919
17 G H -1.2751
18 S H -1.6009
19 L H -0.8853
20 R H -1.8648
21 L H 0.0000
22 S H -0.3335
23 C H 0.0000
24 A H -0.2025
25 A H 0.0000
26 S H -0.8203
27 G H -1.1436
28 F H -0.5205
29 T H -0.2565
30 F H 0.0000
35 N H -1.2122
36 S H -0.2243
37 Y H 0.5211
38 G H 0.0000
39 M 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 -0.6585
45 A H -1.0505
46 P H -0.8282
47 G H -1.4751
48 K H -2.2117
49 G H -1.3458
50 L H 0.0000
51 E H -0.8921
52 W H 0.0000
53 V H 0.0000
54 A H 0.0000
55 F H 0.0000
56 I H 0.0000
57 R H 0.0000
58 Y H 0.0544
59 D H -1.2604
62 G H -1.1425
63 G H -1.1346
64 N H -1.0196
65 K H -0.9932
66 Y H -0.2943
67 Y H -0.7831
68 A H 0.0000
69 D H -2.1910
70 S H -1.7574
71 V H 0.0000
72 K H -2.4068
74 G H -1.8099
75 R H -1.9510
76 F H 0.0000
77 T H -1.0271
78 I H 0.0000
79 S H -0.5682
80 R H -1.0202
81 D H -1.6731
82 N H -1.9021
83 S H -1.6651
84 K H -2.3967
85 N H -1.7804
86 T H -1.0068
87 L H 0.0000
88 Y H -0.4351
89 L H 0.0000
90 Q H -1.3661
91 M H 0.0000
92 K H -2.4448
93 S H -1.7792
94 L H 0.0000
95 R H -2.4968
96 A H -1.7276
97 E H -2.2632
98 D H 0.0000
99 T H -0.3527
100 A H 0.0000
101 V H 0.6260
102 Y H 0.0000
103 Y H 0.0000
104 C H 0.0000
105 A H 0.0000
106 N H 0.0000
107 L H 0.0000
108 K H -0.3874
109 D H 0.0000
110 S H -0.3636
111 R H -0.3929
111A Y H 0.8713
112A S H 0.0000
112 G H 0.1124
113 S H 0.1396
114 Y H -0.0611
115 Y H 0.0000
116 D H -0.1122
117 Y H 0.2532
118 W H -0.1399
119 G H 0.0000
120 Q H -1.1785
121 G H -0.2955
122 T H 0.5169
123 L H 1.5481
124 V H 0.0000
125 T H 0.3422
126 V H 0.0000
127 S H -0.7699
1 V L 1.6117
2 I L 0.0000
3 W L 1.1931
4 M L 0.0000
5 T L -0.4125
6 Q L 0.0000
7 S L -0.4670
8 P L -0.5399
9 S L -0.7755
10 S L -0.9337
11 L L -0.5546
12 S L -0.6108
13 A L 0.0000
14 S L -0.1710
15 V L 0.7145
16 G L -0.3917
17 D L -1.2032
18 R L -2.1083
19 V L 0.0000
20 T L -0.6200
21 I L 0.0000
22 T L -0.6470
23 C L 0.0000
24 Q L -1.7000
25 A L 0.0000
26 S L -0.6999
27 Q L -2.0031
28 D L -2.5152
29 I L 0.0000
36 R L -1.7968
37 F L 0.4274
38 Y L -0.1071
39 L L 0.0000
40 N L 0.0000
41 W L 0.0000
42 Y L 0.0000
43 Q L -0.8110
44 Q L 0.0000
45 K L -1.7796
46 P L -1.2669
47 G L -1.6996
48 K L -2.5521
49 A L -1.4925
50 P L 0.0000
51 K L -1.1374
52 L L 0.0000
53 L L 0.0000
54 I L 0.0000
55 S L 0.0000
56 D L -0.5443
57 A L 0.0000
65 S L -0.7590
66 N L -1.4040
67 M L -0.6438
68 E L -0.6376
69 T L -0.4592
70 G L -0.4845
71 V L -0.3192
72 P L -0.3657
74 S L -0.4461
75 R L -0.7962
76 F L 0.0000
77 S L -0.5618
78 G L -0.6380
79 S L -0.6076
80 G L -0.8334
83 S L -1.0878
84 G L -1.7703
85 T L -1.9715
86 D L -2.1480
87 F L 0.0000
88 T L -0.6488
89 F L 0.0000
90 T L 0.0000
91 I L 0.0000
92 S L -1.3467
93 S L -1.0630
94 L L 0.0000
95 Q L -0.5075
96 P L -0.6498
97 E L -1.6962
98 D L 0.0000
99 I L -0.4585
100 A L 0.0000
101 T L -0.9360
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 -1.0901
109 N L -0.5477
114 L L 0.2835
115 P L 0.0967
116 F L 0.0000
117 T L 0.3007
118 F L 0.0000
119 G L 0.0000
120 P L -0.7619
121 G L 0.0000
122 T L 0.0000
123 K L -1.7147
124 V L 0.0000
125 D L -0.4478
126 F L 0.4085
127 K L -1.0213
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Laboratory of Theory of Biopolymers 2018