Project name: GapC132_tagged_rank1_A3D_static_d10

Status: done

Started: 2026-07-24 04:24:40
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Chain sequence(s) A: MGSSHHHHHHSSGLVPRGSHMASMTGGQQMGRGSMVVKVGINGFGRIGRLAFRRIQNVEGVEVTRINDLTDPNMLAHLLKYDTTQGRFDGTVEVKEGGFEVNGQFVKVSAEREPANIDWATDGVLEHHHHHH
input PDB
Selected Chain(s) A
Distance of aggregation 10 Å
FoldX usage No
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 A chain(s) selected             (00:00:00)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:00)
[INFO]       runJob:   FoldX not utilized. Treating input pdb file as it was already optimized.    (00:00:00)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:00:00)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:01)
Show buried residues

Minimal score value
-3.2579
Maximal score value
2.0487
Average score
-0.8542
Total score value
-112.7553

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 M A 0.7674
2 G A -0.0866
3 S A -0.5522
4 S A -1.1439
5 H A -1.8621
6 H A -2.2633
7 H A -2.4075
8 H A -2.4402
9 H A -2.2639
10 H A -1.9144
11 S A -1.1119
12 S A -0.5510
13 G A 0.3924
14 L A 2.0487
15 V A 1.7754
16 P A -0.0446
17 R A -1.7948
18 G A -1.4495
19 S A -1.2052
20 H A -0.6575
21 M A 0.5523
22 A A 0.5472
23 S A 0.4862
24 M A 0.8364
25 T A -0.1481
26 G A -1.0045
27 G A -1.3452
28 Q A -1.8979
29 Q A -1.9402
30 M A -0.8354
31 G A -1.6403
32 R A -2.0581
33 G A -0.9247
34 S A -0.2792
35 M A 1.4067
36 V A 1.8775
37 V A 1.9624
38 K A 0.2944
39 V A 0.0000
40 G A 0.0000
41 I A 0.0000
42 N A -0.5878
43 G A -0.8734
44 F A 0.0000
45 G A -0.9284
46 R A -1.1826
47 I A 0.4012
48 G A 0.0000
49 R A -0.5411
50 L A -0.1477
51 A A -0.1927
52 F A 0.0000
53 R A -1.4246
54 R A -2.1051
55 I A 0.0000
56 Q A -2.1208
57 N A -2.0886
58 V A -1.2022
59 E A -1.4341
60 G A 0.0945
61 V A 0.4127
62 E A -0.4016
63 V A 0.0000
64 T A -0.4447
65 R A -0.4697
66 I A 0.0000
67 N A 0.0000
68 D A -0.3531
69 L A 0.4609
70 T A -0.2224
71 D A -1.5552
72 P A -1.7388
73 N A -1.7764
74 M A -0.5678
75 L A 0.0000
76 A A 0.0000
77 H A -0.8087
78 L A -0.2618
79 L A 0.0000
80 K A -1.2728
81 Y A -0.1619
82 D A -0.9392
83 T A -0.5427
84 T A -1.0344
85 Q A -1.5476
86 G A -1.7524
87 R A -2.5235
88 F A 0.0000
89 D A -2.7191
90 G A -2.0760
91 T A -1.7264
92 V A 0.0000
93 E A -2.2097
94 V A -1.4273
95 K A -2.5295
96 E A -2.6955
97 G A -1.8335
98 G A 0.0000
99 F A 0.0000
100 E A -1.7157
101 V A 0.0000
102 N A -2.1897
103 G A -1.6486
104 Q A -1.5600
105 F A -0.3038
106 V A 0.0000
107 K A -1.3875
108 V A -0.9179
109 S A -0.6757
110 A A -0.6529
111 E A -1.9527
112 R A -2.9012
113 E A -3.2579
114 P A -2.4477
115 A A -1.7414
116 N A -2.5257
117 I A -1.9364
118 D A -1.9352
119 W A -0.6942
120 A A -0.3812
121 T A -0.5005
122 D A 0.0000
123 G A 0.8678
124 V A 1.5123
125 L A 0.8656
126 E A -1.5128
127 H A -1.5412
128 H A -2.5711
129 H A -2.5336
130 H A -2.4404
131 H A -2.3171
132 H A -1.8322
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Laboratory of Theory of Biopolymers 2018