Project name: 295

Status: done

Started: 2025-06-25 13:27:16
Settings
Chain sequence(s) H: EVQLVESGGGVVQAGESLRLSCAASGRSFSDYEMGWFRQAPGTEREFVASINRRGSSTFYADSVKGRFTISRDNTKNTVYLQMSSLKPEDTAVYLCAAGWLFPSSRSRDYDYWGQGTQVTVSS
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                                          (00:00:56)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:57)
Show buried residues

Minimal score value
-3.0757
Maximal score value
2.4726
Average score
-0.7498
Total score value
-92.2213

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 -2.8316
2 V H 0.0000
3 Q H -1.6326
4 L H 0.0000
5 V H 1.0582
6 E H 0.1803
7 S H -0.3740
8 G H -0.8055
9 G H -0.4302
11 G H 0.3571
12 V H 1.2796
13 V H 0.0000
14 Q H -1.6494
15 A H -1.8983
16 G H -1.8117
17 E H -2.1260
18 S H -1.2961
19 L H -0.5400
20 R H -0.9307
21 L H 0.0000
22 S H -0.0544
23 C H 0.0000
24 A H -0.1588
25 A H 0.0000
26 S H -1.6603
27 G H -2.3316
28 R H -2.8410
29 S H -1.7888
30 F H 0.0000
35 S H -2.3126
36 D H -2.1537
37 Y H 0.0000
38 E H 0.0000
39 M 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 -1.4226
45 A H -1.1530
46 P H -0.7906
47 G H -1.1126
48 T H -1.5921
49 E H -2.5192
50 R H -1.9956
51 E H -1.8555
52 F H -0.8079
53 V H 0.0000
54 A H 0.0000
55 S H 0.0000
56 I H 0.0000
57 N H -0.9081
58 R H -2.2361
59 R H -3.0757
62 G H -1.8402
63 S H -1.2002
64 S H -0.5164
65 T H 0.2698
66 F H 0.3277
67 Y H -0.5833
68 A H -1.2760
69 D H -2.4451
70 S H -1.6153
71 V H 0.0000
72 K H -2.5436
74 G H -1.7194
75 R H -1.4062
76 F H 0.0000
77 T H -0.5587
78 I H 0.0000
79 S H -0.2717
80 R H -1.3594
81 D H -1.7560
82 N H -2.2158
83 T H -1.4230
84 K H -2.3427
85 N H -2.0060
86 T H -0.9329
87 V H 0.0000
88 Y H -0.1055
89 L H 0.0000
90 Q H -0.5542
91 M H 0.0000
92 S H -1.0973
93 S H -1.3292
94 L H 0.0000
95 K H -2.1987
96 P H -1.6542
97 E H -1.8688
98 D H 0.0000
99 T H -0.6493
100 A H 0.0000
101 V H -0.2111
102 Y H 0.0000
103 L H -0.1344
104 C H 0.0000
105 A H 0.0000
106 A H 0.0000
107 G H 0.0000
108 W H 1.6139
109 L H 2.4726
110 F H 2.0843
111 P H 1.1024
111A S H 0.0120
112B S H -1.0313
112A R H -2.2642
112 S H -2.1994
113 R H -2.6493
114 D H -1.6413
115 Y H 0.0000
116 D H -0.9961
117 Y H -0.8234
118 W H -0.0925
119 G H -0.1991
120 Q H -0.9662
121 G H -0.4585
122 T H -0.4848
123 Q H -0.6402
124 V H 0.0000
125 T H -0.0627
126 V H 0.0000
127 S H -0.7065
128 S H -0.8528
Download PDB file
View in 3Dmol
Play the video

Laboratory of Theory of Biopolymers 2018