Project name: CD8 VHH

Status: done

Started: 2026-07-20 01:56:58
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Chain sequence(s) A: EVQLVESGGGLVQPGGSLRLSCAASGFTFDEYAIGWFRQAPGKEREGVSCLRVSDGRTYYPDSVKGRFTISRDNSKNTVYLQMNSLRAEDTAVYYCASGSYYGCTVDDYDFWGQGTQVTVSSGGGGSGGGGSC
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                                          (00:00:45)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:46)
Show buried residues

Minimal score value
-3.3952
Maximal score value
1.5738
Average score
-0.8308
Total score value
-110.4922

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 -1.9797
2 V A -1.1102
3 Q A -0.8853
4 L A 0.0000
5 V A 1.2696
6 E A 0.0000
7 S A -0.4860
8 G A -1.1552
9 G A -0.8324
10 G A -0.1183
11 L A 0.8650
12 V A 0.0000
13 Q A -1.4997
14 P A -1.6885
15 G A -1.4419
16 G A -1.0292
17 S A -1.3703
18 L A -1.0845
19 R A -2.1511
20 L A 0.0000
21 S A -0.3626
22 C A 0.0000
23 A A -0.0843
24 A A 0.0000
25 S A -0.8847
26 G A -1.1148
27 F A -0.8726
28 T A -1.0984
29 F A 0.0000
30 D A -2.9344
31 E A -2.4129
32 Y A -0.7077
33 A A 0.0000
34 I A 0.0000
35 G A 0.0000
36 W A 0.0000
37 F A 0.0000
38 R A 0.0000
39 Q A -1.8965
40 A A -1.8707
41 P A -1.3288
42 G A -1.8907
43 K A -3.2529
44 E A -3.3952
45 R A -2.3527
46 E A -2.0594
47 G A -0.5191
48 V A 0.0000
49 S A 0.0000
50 C A 0.0000
51 L A -0.4633
52 R A -0.8448
53 V A -1.0383
54 S A -1.2505
55 D A -1.8004
56 G A -1.9115
57 R A -2.1915
58 T A -0.8380
59 Y A -0.1943
60 Y A -0.6133
61 P A -1.4347
62 D A -2.5051
63 S A -1.7619
64 V A 0.0000
65 K A -2.5778
66 G A -1.7956
67 R A -1.5624
68 F A 0.0000
69 T A -0.7808
70 I A 0.0000
71 S A -0.5575
72 R A -1.4983
73 D A -2.2065
74 N A -2.8695
75 S A -2.0063
76 K A -2.6937
77 N A -2.3739
78 T A 0.0000
79 V A 0.0000
80 Y A -0.6261
81 L A 0.0000
82 Q A -1.2637
83 M A 0.0000
84 N A -1.5533
85 S A -1.2779
86 L A 0.0000
87 R A -2.3669
88 A A -1.7481
89 E A -2.2517
90 D A 0.0000
91 T A -0.8804
92 A A 0.0000
93 V A -0.4290
94 Y A 0.0000
95 Y A -0.1460
96 C A 0.0000
97 A A 0.0000
98 S A 0.0000
99 G A 0.0000
100 S A 0.1795
101 Y A 1.1379
102 Y A 1.5738
103 G A 0.7003
104 C A 0.3232
105 T A -0.3315
106 V A -0.8816
107 D A -1.7845
108 D A -0.6830
109 Y A 0.0000
110 D A -1.6077
111 F A -0.3533
112 W A 0.0308
113 G A 0.0775
114 Q A -0.7860
115 G A 0.0000
116 T A -0.6513
117 Q A -1.0052
118 V A 0.0000
119 T A -0.3576
120 V A 0.0000
121 S A -0.9855
122 S A -1.1352
123 G A -1.0912
124 G A -1.1762
125 G A -1.2255
126 G A -1.2316
127 S A -1.0941
128 G A -1.2032
129 G A -1.2108
130 G A -1.0565
131 G A -0.7995
132 S A -0.2675
133 C A 0.4524
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Laboratory of Theory of Biopolymers 2018