Project name: protein 4

Status: done

Started: 2025-07-18 12:12:44
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Chain sequence(s) A: MQTILQDYANVVDGSFFRHWKLFSGMEAKNLQRLYNGLVERECEDGQEYSLLDQRSKAHIDSIALSIYKHVTSHEFSLPSWVGLASDMLTGGTLRVVAGGLQVKTINNPHG
input PDB
Selected Chain(s) A
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 A 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                                          (00:01:42)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:43)
Show buried residues

Minimal score value
-4.4601
Maximal score value
0.8662
Average score
-1.0537
Total score value
-116.9577

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 0.7058
2 Q A -0.6799
3 T A -0.4675
4 I A 0.8533
5 L A 0.0926
6 Q A -1.6741
7 D A -1.6453
8 Y A -0.2308
9 A A -1.1045
10 N A -1.6145
11 V A 0.4602
12 V A -0.3473
13 D A -1.7770
14 G A -0.8859
15 S A -0.4982
16 F A 0.1062
17 F A 0.4047
18 R A -1.6598
19 H A -1.0109
20 W A -0.1430
21 K A -1.1895
22 L A 0.4002
23 F A -0.1107
24 S A -0.6500
25 G A -0.6600
26 M A -0.9744
27 E A -2.4720
28 A A -1.7870
29 K A -2.9040
30 N A -2.3437
31 L A -1.4729
32 Q A -1.8067
33 R A -2.3106
34 L A -0.7547
35 Y A 0.0000
36 N A -1.1788
37 G A -1.4143
38 L A -0.6113
39 V A -1.2062
40 E A -2.7401
41 R A -3.7809
42 E A -3.8486
43 C A -3.3073
44 E A -4.4475
45 D A -4.4601
46 G A -3.4151
47 Q A -3.1973
48 E A -2.8731
49 Y A -1.0797
50 S A -0.5033
51 L A -0.2452
52 L A -1.0322
53 D A -1.7235
54 Q A -2.5199
55 R A -2.9103
56 S A -1.6994
57 K A -1.9786
58 A A -1.6569
59 H A -1.3049
60 I A -0.1828
61 D A -0.5366
62 S A -0.2781
63 I A 0.0427
64 A A 0.0000
65 L A 0.0344
66 S A -0.4659
67 I A 0.0000
68 Y A -0.4587
69 K A -1.9545
70 H A -1.8033
71 V A -0.7644
72 T A -1.1089
73 S A -1.5958
74 H A -1.8724
75 E A -1.7245
76 F A 0.1394
77 S A -0.0859
78 L A 0.3690
79 P A 0.0319
80 S A -0.0837
81 W A 0.3855
82 V A 0.4347
83 G A -0.3341
84 L A -0.2391
85 A A 0.0000
86 S A -0.1297
87 D A -1.1366
88 M A -0.3575
89 L A 0.3566
90 T A -0.3573
91 G A -1.1350
92 G A -1.1939
93 T A -1.3623
94 L A -1.1561
95 R A -1.6903
96 V A 0.0000
97 V A 0.8662
98 A A -0.0883
99 G A -0.0579
100 G A 0.0529
101 L A 0.3629
102 Q A -1.0241
103 V A -0.8954
104 K A -1.8855
105 T A -1.5350
106 I A -0.7273
107 N A -1.8497
108 N A -1.8601
109 P A -1.5080
110 H A -1.8648
111 G A -1.4440
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Laboratory of Theory of Biopolymers 2018