Project name: 5F7-VHH2

Status: done

Started: 2026-07-20 09:00:31
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Chain sequence(s) A: EVQLVESGGGLVQPGGSLRLSCAASGITFSINTMGWYRQAPGKQRELVSLISSIGDTYYADSVRGRFTISRDNSKNTLYLQMNSLRAEDTAVYYCKRFRTAAQGTDYWGQGTLVTVSS
input PDB
Selected Chain(s) A
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 A 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                                          (00:00:44)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:44)
Show buried residues

Minimal score value
-3.2486
Maximal score value
1.646
Average score
-0.6269
Total score value
-73.971

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 A -2.1757
2 V A -1.3460
3 Q A -1.2841
4 L A 0.0000
5 V A 1.0894
6 E A 0.3409
7 S A -0.0932
8 G A -0.6995
9 G A 0.1524
10 G A 0.6998
11 L A 1.4326
12 V A -0.0338
13 Q A -1.3013
14 P A -1.5687
15 G A -1.4111
16 G A -0.9991
17 S A -1.2658
18 L A -0.9053
19 R A -1.8956
20 L A 0.0000
21 S A -0.3794
22 C A 0.0000
23 A A -0.1438
24 A A 0.0000
25 S A -1.0764
26 G A -1.3529
27 I A -0.4942
28 T A 0.0018
29 F A 0.0000
30 S A 0.0492
31 I A 1.3265
32 N A 0.0000
33 T A 0.0375
34 M A 0.0000
35 G A 0.0000
36 W A 0.0000
37 Y A -0.3079
38 R A 0.0000
39 Q A -1.8423
40 A A -1.7312
41 P A -1.3782
42 G A -1.8715
43 K A -3.1990
44 Q A -3.2486
45 R A -3.0067
46 E A -2.2945
47 L A -0.2851
48 V A 0.0000
49 S A 0.0000
50 L A 0.4885
51 I A 0.0000
52 S A 0.2279
53 S A 0.6931
54 I A 1.4933
55 G A -0.1657
56 D A -1.1602
57 T A -0.0989
58 Y A 0.4600
59 Y A -0.2245
60 A A -1.0916
61 D A -2.3736
62 S A -1.7376
63 V A 0.0000
64 R A -2.5760
65 G A -1.8238
66 R A -1.6143
67 F A 0.0000
68 T A -0.7154
69 I A 0.0000
70 S A -0.6141
71 R A -1.0964
72 D A -1.6577
73 N A -1.9255
74 S A -1.7852
75 K A -2.5024
76 N A -1.9285
77 T A -1.0778
78 L A 0.0000
79 Y A -0.5456
80 L A 0.0000
81 Q A -1.2690
82 M A 0.0000
83 N A -1.4496
84 S A -1.2880
85 L A 0.0000
86 R A -2.3037
87 A A -1.7044
88 E A -2.2420
89 D A 0.0000
90 T A -0.4122
91 A A 0.0000
92 V A 0.4873
93 Y A 0.0000
94 Y A 0.0787
95 C A 0.0000
96 K A 0.0000
97 R A 0.0000
98 F A -0.7405
99 R A -2.0658
100 T A -0.9466
101 A A -0.5571
102 A A -0.3593
103 Q A -0.8488
104 G A -1.2281
105 T A -1.1102
106 D A -0.9874
107 Y A -0.0840
108 W A 0.3379
109 G A -0.0728
110 Q A -0.8958
111 G A 0.0582
112 T A 0.5518
113 L A 1.6460
114 V A 0.0000
115 T A 0.3627
116 V A 0.0000
117 S A -0.6661
118 S A -0.4494
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Laboratory of Theory of Biopolymers 2018