Project name: Nb_G

Status: done

Started: 2026-04-21 12:06:24
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Chain sequence(s) B: QVQLVESGGGLVQPGGSLRLSCAASGGEGFDITNYSLGWFRQAPGQGLEAVAAIDADGTNTYYADSVKGRFTISRDNSKNTLYLQMNSLRAEDTAVYYCAATLGATGPRTNPEDYEYWGQGTLVTVSS
input PDB
Selected Chain(s) B
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]                                                (00:00:08)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:08)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with B chain(s) selected             (00:00:08)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:08)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:08)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:01:08)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:09)
Show buried residues

Minimal score value
-3.0264
Maximal score value
1.6198
Average score
-0.8282
Total score value
-106.0058

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 B -1.7569
2 V B -1.2909
3 Q B -1.3891
4 L B 0.0000
5 V B 0.6347
6 E B 0.0000
7 S B -0.2315
8 G B -0.6558
9 G B 0.1423
10 G B 0.6979
11 L B 1.4433
12 V B -0.0618
13 Q B -1.4838
14 P B -1.9949
15 G B -1.7078
16 G B -1.1579
17 S B -1.5044
18 L B -1.0324
19 R B -2.2658
20 L B 0.0000
21 S B -0.4940
22 C B 0.0000
23 A B -0.2516
24 A B 0.0000
25 S B -1.0723
26 G B -1.6785
27 G B -2.0171
28 E B -2.4547
29 G B -1.6053
30 F B -1.4768
31 D B -1.8698
32 I B 0.0000
33 T B -1.7992
34 N B -1.6164
35 Y B -0.5399
36 S B 0.0000
37 L B 0.0000
38 G B 0.0000
39 W B 0.0000
40 F B 0.0000
41 R B 0.0000
42 Q B -0.7754
43 A B -1.1163
44 P B -1.0106
45 G B -1.3542
46 Q B -1.8319
47 G B -1.2366
48 L B -0.3793
49 E B -0.9919
50 A B -0.5966
51 V B 0.0000
52 A B 0.0000
53 A B 0.0000
54 I B 0.0000
55 D B 0.0000
56 A B -1.4137
57 D B -2.4049
58 G B -1.7607
59 T B -1.3575
60 N B -1.6650
61 T B -0.6361
62 Y B -0.4411
63 Y B -0.7731
64 A B -1.4312
65 D B -2.5869
66 S B -1.8767
67 V B 0.0000
68 K B -2.7192
69 G B -1.9011
70 R B -1.9933
71 F B 0.0000
72 T B -1.0157
73 I B 0.0000
74 S B -0.5636
75 R B -1.0839
76 D B -1.7049
77 N B -2.3717
78 S B -1.9202
79 K B -2.5120
80 N B -2.0601
81 T B -1.0786
82 L B 0.0000
83 Y B -0.7003
84 L B 0.0000
85 Q B -1.6710
86 M B 0.0000
87 N B -2.0472
88 S B -1.6916
89 L B 0.0000
90 R B -3.0264
91 A B -2.0699
92 E B -2.4471
93 D B 0.0000
94 T B -0.5767
95 A B 0.0000
96 V B 0.5365
97 Y B 0.0000
98 Y B 0.3082
99 C B 0.0000
100 A B 0.0000
101 A B 0.0000
102 T B 0.0000
103 L B 0.5650
104 G B -0.0800
105 A B 0.0000
106 T B -0.6785
107 G B -0.9365
108 P B -0.6899
109 R B -0.9575
110 T B -0.9449
111 N B -1.6633
112 P B -1.7778
113 E B -2.8157
114 D B -2.1719
115 Y B 0.0000
116 E B -1.8953
117 Y B -0.7296
118 W B -0.2639
119 G B -0.3294
120 Q B -1.0033
121 G B -0.0336
122 T B 0.5183
123 L B 1.6198
124 V B 0.0000
125 T B 0.2472
126 V B 0.0000
127 S B -0.9646
128 S B -0.5805
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Laboratory of Theory of Biopolymers 2018