Project name: 1350

Status: done

Started: 2025-06-25 14:17:29
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Chain sequence(s) H: EVQLLESGGGSVQPGGSLRLSCAASGVTYSHYWLGWFRQAPGKEREGVATIYTNDGTTYYADSVKGRFTISLDNSKNTLYLQMSSLTAEDTAVYYCALRPNDGSWFSPLQPYHYNYRGQGTQVTVSS
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]                                                (00:00:00)
[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 H 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                                          (00:00:39)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:40)
Show buried residues

Minimal score value
-3.4241
Maximal score value
1.8702
Average score
-0.792
Total score value
-100.5842

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 -2.0032
2 V H -1.5834
3 Q H -1.4817
4 L H 0.0000
5 L H 0.6612
6 E H 0.0000
7 S H -0.3796
8 G H -0.8697
9 G H -0.8682
11 G H -0.6960
12 S H -0.6914
13 V H -0.7441
14 Q H -1.5451
15 P H -1.2045
16 G H -1.0773
17 G H -0.9099
18 S H -0.8764
19 L H -0.8339
20 R H -1.3579
21 L H 0.0000
22 S H -0.1114
23 C H 0.0000
24 A H -0.1349
25 A H -0.5060
26 S H -0.6772
27 G H -0.8544
28 V H -0.4927
29 T H -0.1423
30 Y H -0.3696
35 S H -1.0895
36 H H -1.7785
37 Y H 0.0000
38 W H 0.0000
39 L H 0.0000
40 G H 0.0000
41 W H 0.0000
42 F H 0.0000
43 R H 0.0000
44 Q H -1.8154
45 A H -1.7124
46 P H -1.2735
47 G H -1.8059
48 K H -3.2360
49 E H -3.4241
50 R H -2.3060
51 E H -2.6182
52 G H -1.1671
53 V H 0.0000
54 A H 0.0000
55 T H 0.0000
56 I H 0.0000
57 Y H -0.6247
58 T H -1.4657
59 N H -2.3750
62 D H -2.5471
63 G H -1.4295
64 T H -0.6331
65 T H -0.0996
66 Y H 0.2252
67 Y H -0.6443
68 A H -1.3770
69 D H -2.4347
70 S H -1.7789
71 V H 0.0000
72 K H -2.4864
74 G H -1.7031
75 R H -1.4983
76 F H 0.0000
77 T H -0.7297
78 I H 0.0000
79 S H -0.2392
80 L H -0.6185
81 D H -1.6056
82 N H -2.2945
83 S H -1.8973
84 K H -2.6172
85 N H -2.0483
86 T H -1.0564
87 L H 0.0000
88 Y H -0.1331
89 L H 0.0000
90 Q H -0.9948
91 M H 0.0000
92 S H -0.8400
93 S H -0.8550
94 L H 0.0000
95 T H -1.1358
96 A H -1.1531
97 E H -1.8507
98 D H 0.0000
99 T H -0.7029
100 A H 0.0000
101 V H -0.1558
102 Y H 0.0000
103 Y H -0.5582
104 C H 0.0000
105 A H 0.0000
106 L H 0.0000
107 R H -1.2377
108 P H -1.3373
109 N H -2.1382
110 D H -2.4957
111 G H -1.2565
111A S H -0.0969
111B W H 1.4911
111C F H 1.8702
112D S H 1.1394
112C P H 0.0000
112B L H 0.3501
112A Q H -0.5410
112 P H -0.7454
113 Y H 0.6934
114 H H -0.3451
115 Y H 0.0000
116 N H -1.4839
117 Y H -1.4485
118 R H -1.9340
119 G H -1.0251
120 Q H -1.2908
121 G H -0.6680
122 T H -0.4863
123 Q H -0.7936
124 V H 0.0000
125 T H -0.7223
126 V H 0.0000
127 S H -0.9677
128 S H -0.7799
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Laboratory of Theory of Biopolymers 2018