Project name: 1de4af531eb33d6

Status: done

Started: 2025-06-03 05:02:33
Settings
Chain sequence(s) H: EVQLVESGGGLVQPGGSLRLSCAASGFTFSSYWMSWVRQAPGKGLEWVAEIRLKSDNYATHYAESVKGRFTISRDDSKNSLYLQMNSLRAEDTAVYYCTGYYADAMDYWGQGTLVTVSS
L: DIQMTQSPSSLSASVGDRVTITCRASQSVSTSSYSYMHWYQQKPGKAPKLLIKYASNLESGVPSRFSGSGSGTDFTLTISSLQPEDFATYYCQHSWEIPYTFGGGTKVEIK
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                                        (00:00:01)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:01:51)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:52)
Show buried residues

Minimal score value
-2.7692
Maximal score value
1.6609
Average score
-0.5884
Total score value
-135.335

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 -2.1068
2 V H -1.2414
3 Q H -1.3186
4 L H 0.0000
5 V H 0.7335
6 E H 0.0000
7 S H -0.2172
8 G H -0.5914
9 G H 0.2340
11 G H 0.7960
12 L H 1.3781
13 V H -0.0835
14 Q H -1.3932
15 P H -1.6520
16 G H -1.4713
17 G H -1.0262
18 S H -1.1010
19 L H -0.5411
20 R H -1.4045
21 L H 0.0000
22 S H -0.2754
23 C H 0.0000
24 A H -0.2064
25 A H 0.0000
26 S H -0.8904
27 G H -1.2130
28 F H -0.5029
29 T H -0.2322
30 F H 0.0000
35 S H -0.7124
36 S H -0.2065
37 Y H 0.0000
38 W H 0.1750
39 M H 0.0000
40 S H 0.0000
41 W H 0.0000
42 V H 0.0000
43 R H 0.0000
44 Q H -0.6015
45 A H -0.9971
46 P H -0.8175
47 G H -1.4488
48 K H -2.2682
49 G H -1.4444
50 L H 0.0000
51 E H -1.0011
52 W H 0.0000
53 V H 0.0000
54 A H 0.0000
55 E H 0.0000
56 I H 0.0000
57 R H -0.7996
58 L H -1.1414
59 K H -2.2554
60 S H -1.5809
61 D H -1.6566
62 N H -1.9335
63 Y H -1.0115
64 A H -0.7167
65 T H -0.2858
66 H H -0.6015
67 Y H -1.0493
68 A H 0.0000
69 E H -2.5485
70 S H -1.7472
71 V H 0.0000
72 K H -2.6562
74 G H -1.7223
75 R H -1.4544
76 F H 0.0000
77 T H -0.8201
78 I H 0.0000
79 S H -0.2813
80 R H -0.9120
81 D H -1.3257
82 D H -1.6467
83 S H -1.4785
84 K H -2.2681
85 N H -1.6276
86 S H -0.9710
87 L H 0.0000
88 Y H -0.3899
89 L H 0.0000
90 Q H -0.9734
91 M H 0.0000
92 N H -1.2767
93 S H -1.2692
94 L H 0.0000
95 R H -2.2846
96 A H -1.7062
97 E H -2.2331
98 D H 0.0000
99 T H -0.3567
100 A H 0.0000
101 V H 0.8310
102 Y H 0.0000
103 Y H 0.0000
104 C H 0.0000
105 T H 0.0000
106 G H 0.0000
107 Y H 0.0000
108 Y H 0.8792
109 A H 0.3146
113 D H 0.0457
114 A H 0.0000
115 M H 0.0000
116 D H 0.0622
117 Y H 0.3171
118 W H -0.2430
119 G H 0.0000
120 Q H -1.4537
121 G H -0.2844
122 T H 0.5483
123 L H 1.6609
124 V H 0.0000
125 T H 0.3536
126 V H 0.0000
127 S H -0.7291
128 S H -0.5680
1 D L -2.1729
2 I L 0.0000
3 Q L -2.2459
4 M L 0.0000
5 T L -1.4156
6 Q L -1.1642
7 S L -0.7195
8 P L -0.5015
9 S L -0.6379
10 S L -0.7403
11 L L -0.6134
12 S L -1.0429
13 A L 0.0000
14 S L -0.9118
15 V L -0.0062
16 G L -0.7600
17 D L -1.8074
18 R L -2.3562
19 V L 0.0000
20 T L -0.6101
21 I L 0.0000
22 T L -0.8527
23 C L 0.0000
24 R L -2.7692
25 A L 0.0000
26 S L -1.9010
27 Q L -1.8707
28 S L -0.9951
29 V L 0.0000
30 S L -0.1072
31 T L 0.0587
34 S L -0.1533
35 S L 0.1356
36 Y L 0.8000
37 S L 0.2573
38 Y L 0.4667
39 M L 0.0000
40 H L 0.0000
41 W L 0.0000
42 Y L 0.0000
43 Q L -0.7476
44 Q L -1.1225
45 K L -1.4809
46 P L -1.1256
47 G L -1.6868
48 K L -2.5800
49 A L -1.5323
50 P L 0.0000
51 K L -1.1438
52 L L 0.0000
53 L L 0.0000
54 I L 0.0000
55 K L -0.5632
56 Y L -0.1678
57 A L 0.0000
65 S L -0.8357
66 N L -1.3021
67 L L -0.5592
68 E L -0.7679
69 S L -0.6201
70 G L -0.6070
71 V L 0.0000
72 P L -0.4348
74 S L -0.4767
75 R L -0.8055
76 F L 0.0000
77 S L -0.6128
78 G L -0.5770
79 S L -0.8046
80 G L -1.0320
83 S L -0.8441
84 G L -0.9364
85 T L -1.6241
86 D L -2.0919
87 F L 0.0000
88 T L -0.7390
89 L L 0.0000
90 T L -0.6297
91 I L 0.0000
92 S L -1.3854
93 S L -1.2174
94 L L 0.0000
95 Q L -0.9743
96 P L -1.0887
97 E L -1.6946
98 D L 0.0000
99 F L -0.4660
100 A L 0.0000
101 T L -0.5899
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 0.1831
108 W L 0.0537
109 E L -0.2387
114 I L 0.0631
115 P L -0.5784
116 Y L 0.0000
117 T L -0.7199
118 F L 0.0000
119 G L 0.0000
120 G L -1.1925
121 G L -0.8529
122 T L 0.0000
123 K L -0.8694
124 V L 0.0000
125 E L -1.2604
126 I L -0.9077
127 K L -1.6143
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Laboratory of Theory of Biopolymers 2018