Project name: 14ab73a03f40bd0

Status: done

Started: 2025-10-07 21:36:18
Settings
Chain sequence(s) H: QVQLQESGGGVVQPGRSLRLSCAASGFSLTIYGVHWVRQAPGKGLEWLGVVWSDGRTDYNPSLKSRLTISKDNSKNTVYLQMNSLRAEDTAVYYCARYYLGSSFLTYWGQGTLVTVSS
L: DIQMTQSPSSLSASVGDRVTITCSVSQGISNYLNWYQQKPGKAPKLLIYYTSSLHSGVPSRFSGSGSGTDYTFTISSLQPEDIATYYCQQYSILPWTFGQGTKVEIK
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                                          (00:00:59)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:00)
Show buried residues

Minimal score value
-2.7569
Maximal score value
1.6726
Average score
-0.5458
Total score value
-122.815

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 Q H -1.5076
2 V H -0.9727
3 Q H -1.6994
4 L H 0.0000
5 Q H -1.8263
6 E H 0.0000
7 S H -0.8120
8 G H -0.4063
9 G H 0.2326
11 G H 0.8258
12 V H 1.5780
13 V H -0.2920
14 Q H -1.6686
15 P H -2.0456
16 G H -2.1953
17 R H -2.7569
18 S H -1.8042
19 L H -0.8543
20 R H -1.1065
21 L H 0.0000
22 S H -0.6334
23 C H 0.0000
24 A H -1.0447
25 A H 0.0000
26 S H -1.2491
27 G H -1.0390
28 F H -0.1774
29 S H -0.0354
30 L H 0.0000
35 T H -0.1656
36 I H 1.3246
37 Y H 1.1398
38 G H 0.0000
39 V 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 -0.5825
45 A H -1.0288
46 P H -1.0264
47 G H -1.4525
48 K H -2.3391
49 G H -1.5594
50 L H 0.0000
51 E H -0.9047
52 W H 0.0000
53 L H 0.0000
54 G H 0.0000
55 V H 0.0000
56 V H 0.0000
57 W H -0.9812
58 S H -0.8902
59 D H -2.2742
63 G H -2.1749
64 R H -2.6288
65 T H -1.4660
66 D H -1.1062
67 Y H -0.6435
68 N H -0.9534
69 P H -1.1141
70 S H -0.7919
71 L H 0.0000
72 K H -1.5914
74 S H -1.0440
75 R H -0.9509
76 L H 0.0000
77 T H -0.6075
78 I H 0.0000
79 S H -0.6883
80 K H -1.2161
81 D H -1.8016
82 N H -2.3325
83 S H -1.8859
84 K H -2.5061
85 N H -1.8841
86 T H -1.3873
87 V H 0.0000
88 Y H -0.3069
89 L H 0.0000
90 Q H -0.7005
91 M H 0.0000
92 N H -1.5773
93 S H -1.7570
94 L H 0.0000
95 R H -2.5834
96 A H -1.7015
97 E H -2.2699
98 D H 0.0000
99 T H -0.3484
100 A H 0.0000
101 V H 0.7900
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 Y H 1.0296
108 Y H 1.5062
109 L H 1.5091
110 G H 0.2441
112 S H 0.6165
113 S H 0.5890
114 F H 0.0000
115 L H 0.0000
116 T H 0.3090
117 Y H 0.2153
118 W H -0.4371
119 G H 0.0000
120 Q H -1.9787
121 G H -0.7749
122 T H 0.1680
123 L H 1.6726
124 V H 0.0000
125 T H 0.4327
126 V H 0.0000
127 S H -0.3830
128 S H -0.4648
1 D L -1.9139
2 I L 0.0000
3 Q L -1.9542
4 M L 0.0000
5 T L -0.8575
6 Q L 0.0000
7 S L -0.4341
8 P L -0.6842
9 S L -0.9845
10 S L -1.3044
11 L L -1.0055
12 S L -1.3272
13 A L -1.1503
14 S L -0.8957
15 V L -0.0093
16 G L -0.8700
17 D L -1.9242
18 R L -2.3490
19 V L 0.0000
20 T L -0.6673
21 I L 0.0000
22 T L -0.4968
23 C L 0.0000
24 S L -1.1743
25 V L 0.0000
26 S L -1.5082
27 Q L -1.6110
28 G L -1.1904
29 I L 0.0000
36 S L -0.3405
37 N L -0.1252
38 Y L 0.9493
39 L L 0.0000
40 N L 0.0000
41 W L 0.0000
42 Y L 0.0000
43 Q L 0.0000
44 Q L -1.1978
45 K L -1.5111
46 P L -1.0678
47 G L -1.6479
48 K L -2.5467
49 A L -1.5544
50 P L 0.0000
51 K L -1.2104
52 L L 0.0000
53 L L 0.0000
54 I L 0.0000
55 Y L 0.8873
56 Y L 1.2343
57 T L 0.0000
65 S L 0.1692
66 S L 0.3678
67 L L 0.3930
68 H L -0.1964
69 S L -0.3790
70 G L -0.5051
71 V L -0.2969
72 P L -0.3214
74 S L -0.3616
75 R L -0.7590
76 F L 0.0000
77 S L -0.2657
78 G L 0.0000
79 S L -0.5946
80 G L -1.0074
83 S L -1.0795
84 G L -1.1959
85 T L -1.4740
86 D L -2.0039
87 Y L 0.0000
88 T L -0.5848
89 F L 0.0000
90 T L 0.0000
91 I L 0.0000
92 S L -1.4403
93 S L -1.2628
94 L L 0.0000
95 Q L -0.8658
96 P L -1.1532
97 E L -1.6478
98 D L 0.0000
99 I L -0.6206
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 S L 0.7705
109 I L 1.4847
114 L L 0.7193
115 P L -0.0264
116 W L 0.0000
117 T L -0.5553
118 F L 0.0000
119 G L 0.0000
120 Q L -1.7161
121 G L 0.0000
122 T L 0.0000
123 K L -2.1933
124 V L 0.0000
125 E L -1.7621
126 I L -1.1234
127 K L -1.6780
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Laboratory of Theory of Biopolymers 2018