Project name: 6.P2G4.pdb

Status: done

Started: 2026-03-19 12:30:25
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Chain sequence(s) H: EVQLVESGGGLVQAGGSLKLSCAASGNSIRSLHMGWYRQAPGKQRELVAIITSTSNTNYADSVKGRFTVSRDNTKNTVYLQMNNLKPEDTAVYYCNARLANIYWGRGTQVTVSS
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                                        (00:00:01)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:00:40)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:41)
Show buried residues

Minimal score value
-2.8023
Maximal score value
1.1675
Average score
-0.8275
Total score value
-94.3317

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 -2.0809
2 V H 0.0000
3 Q H -0.8935
4 L H 0.0000
5 V H 1.1256
6 E H 0.0856
7 S H -0.3909
8 G H -1.1164
9 G H -0.6456
11 G H 0.2268
12 L H 1.1675
13 V H 0.0500
14 Q H -1.3747
15 A H -1.6614
16 G H -1.8364
17 G H -1.2619
18 S H -1.4899
19 L H -0.8971
20 K H -1.6975
21 L H 0.0000
22 S H -0.2810
23 C H 0.0000
24 A H 0.0245
25 A H 0.0000
26 S H -0.9922
27 G H -1.4159
28 N H -1.5654
29 S H -1.6384
30 I H 0.0000
35 R H -2.7109
36 S H -1.5598
37 L H 0.0000
38 H H -1.3079
39 M H 0.0000
40 G H 0.0000
41 W H 0.0000
42 Y H 0.3534
43 R H 0.0000
44 Q H -1.2197
45 A H -1.2866
46 P H -0.9527
47 G H -1.3311
48 K H -1.9331
49 Q H -2.2135
50 R H -1.7244
51 E H -0.9097
52 L H 0.2204
53 V H 0.0000
54 A H 0.0000
55 I H -0.1036
56 I H 0.0000
57 T H -1.3712
58 S H -1.3293
59 T H -1.0052
63 S H -1.4107
64 N H -1.6511
65 T H -1.1811
66 N H -1.6951
67 Y H -1.2771
68 A H -1.3903
69 D H -2.6720
70 S H -1.8165
71 V H 0.0000
72 K H -2.8023
74 G H -1.8988
75 R H -2.0470
76 F H 0.0000
77 T H -0.9153
78 V H 0.0000
79 S H -0.4368
80 R H -1.1135
81 D H -1.5820
82 N H -2.0805
83 T H -1.6646
84 K H -2.3790
85 N H -1.9978
86 T H -1.0037
87 V H 0.0000
88 Y H -0.3660
89 L H 0.0000
90 Q H -1.0768
91 M H 0.0000
92 N H -1.9211
93 N H -2.3856
94 L H 0.0000
95 K H -2.6955
96 P H -1.8703
97 E H -2.3302
98 D H 0.0000
99 T H -0.8051
100 A H 0.0000
101 V H -0.3156
102 Y H 0.0000
103 Y H -0.0840
104 C H 0.0000
105 N H 0.0000
106 A H 0.0000
107 R H -1.4420
108 L H -0.7742
114 A H -0.4008
115 N H -1.0857
116 I H 0.0971
117 Y H -0.0252
118 W H 0.3495
119 G H -0.2420
120 R H -1.4076
121 G H -0.7229
122 T H -0.6454
123 Q H -0.5630
124 V H 0.0000
125 T H -0.1765
126 V H 0.0000
127 S H -0.6560
128 S H -0.8276
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Laboratory of Theory of Biopolymers 2018