Project name: 7.P2H6.pdb

Status: done

Started: 2026-03-19 12:31:15
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Chain sequence(s) H: QVQLVESGGGLVQAGGSLKLSCVASGNIFRSPHMGWYRQAPGKQRELVAIITSTSSTDYADSVKGRFTISRDNTKNTVYLQMNNLKPEDTAVYYCNARLANIYWGRGTQVTVSS
input PDB
Selected Chain(s) H
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]                                                (00:00:01)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:01)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with H chain(s) selected             (00:00:01)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:01)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:02)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:01:03)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:04)
Show buried residues

Minimal score value
-3.0878
Maximal score value
1.162
Average score
-0.7971
Total score value
-90.8743

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 -1.2733
2 V H -0.7194
3 Q H -0.9396
4 L H 0.0000
5 V H 0.8754
6 E H 0.0000
7 S H -0.4247
8 G H -1.0183
9 G H -0.5926
11 G H 0.0819
12 L H 1.1620
13 V H 0.0392
14 Q H -1.3973
15 A H -1.7395
16 G H -1.8708
17 G H -1.2547
18 S H -1.4761
19 L H -0.9109
20 K H -1.8663
21 L H 0.0000
22 S H -0.0382
23 C H 0.0000
24 V H 0.8398
25 A H 0.0000
26 S H -0.7111
27 G H -1.2810
28 N H -1.9096
29 I H -1.2113
30 F H 0.0000
35 R H -2.1269
36 S H -1.2013
37 P H 0.0000
38 H H -1.1743
39 M H 0.0000
40 G H 0.0000
41 W H 0.0000
42 Y H -0.1241
43 R H -1.0766
44 Q H -1.8129
45 A H -1.7522
46 P H -1.2636
47 G H -1.8065
48 K H -3.0878
49 Q H -2.9575
50 R H -2.4230
51 E H -2.0801
52 L H -0.4858
53 V H 0.0000
54 A H 0.0000
55 I H -0.0647
56 I H 0.0000
57 T H -0.6665
58 S H -0.8866
59 T H -0.3965
63 S H -0.6004
64 S H -0.6746
65 T H -0.8516
66 D H -1.7279
67 Y H -1.3890
68 A H -1.5547
69 D H -2.6093
70 S H -1.7405
71 V H 0.0000
72 K H -2.5677
74 G H -1.7336
75 R H -1.7618
76 F H 0.0000
77 T H -0.8832
78 I H 0.0000
79 S H -0.3155
80 R H -1.0754
81 D H -1.4638
82 N H -2.1618
83 T H -1.7573
84 K H -2.3380
85 N H -1.6875
86 T H 0.0000
87 V H 0.0000
88 Y H -0.1127
89 L H 0.0000
90 Q H -1.0895
91 M H 0.0000
92 N H -1.8608
93 N H -2.3468
94 L H 0.0000
95 K H -2.8121
96 P H -1.9976
97 E H -2.4135
98 D H 0.0000
99 T H -0.8845
100 A H 0.0000
101 V H -0.3512
102 Y H 0.0000
103 Y H -0.1110
104 C H 0.0000
105 N H 0.0000
106 A H 0.0000
107 R H -0.8879
108 L H -0.4336
114 A H -0.3512
115 N H -0.7033
116 I H 0.6056
117 Y H 0.5224
118 W H 0.4661
119 G H -0.2803
120 R H -1.5405
121 G H 0.0000
122 T H 0.0000
123 Q H -0.5564
124 V H 0.0000
125 T H -0.1985
126 V H 0.0000
127 S H -0.7748
128 S H -0.8453
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Laboratory of Theory of Biopolymers 2018