Project name: 1LOZ

Status: done

Started: 2024-11-21 06:00:47
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Chain sequence(s) A: KVFERCELARTLKRLGMDGYRGISLANWMCLAKWESGYNTRATNYNAGDRSTDYGTFQINSRYWCNDGKTPGAVNACHLSCSALLQDNIADAVACAKRVVRDPQGIRAWVAWRNRCQNRDVRQYVQGCGV
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                                          (00:01:19)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:19)
Show buried residues

Minimal score value
-4.0142
Maximal score value
1.3107
Average score
-1.0538
Total score value
-137.0002

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 K A -2.3363
2 V A -0.2616
3 F A 0.0000
4 E A -2.0984
5 R A -1.7710
6 C A -1.3381
7 E A -1.6357
8 L A 0.0000
9 A A 0.0000
10 R A -1.8653
11 T A -1.3532
12 L A 0.0000
13 K A -2.5805
14 R A -2.6269
15 L A -1.3624
16 G A -1.6650
17 M A 0.0000
18 D A -2.8570
19 G A -2.0519
20 Y A -2.0197
21 R A -2.7134
22 G A -1.7043
23 I A 0.0000
24 S A -1.3426
25 L A 0.0000
26 A A -1.2164
27 N A -1.1384
28 W A 0.0000
29 M A 0.0000
30 C A 0.0000
31 L A 0.0000
32 A A 0.0000
33 K A -1.1055
34 W A -0.3284
35 E A -0.4245
36 S A -0.7335
37 G A -0.6553
38 Y A 0.0000
39 N A -1.4132
40 T A 0.0000
41 R A -2.4133
42 A A -1.2644
43 T A -0.7433
44 N A -0.4221
45 Y A 0.0699
46 N A -1.0382
47 A A -1.1118
48 G A -1.5504
49 D A -2.5392
50 R A -2.8814
51 S A 0.0000
52 T A 0.0000
53 D A -0.4690
54 Y A -0.5428
55 G A 0.0000
56 T A 0.0000
57 F A 0.0000
58 Q A -0.6520
59 I A 0.0000
60 N A -0.3427
61 S A 0.0000
62 R A -0.6730
63 Y A 1.2460
64 W A 0.3145
65 C A 0.0000
66 N A -1.2304
67 D A -1.6161
68 G A -1.8423
69 K A -2.6438
70 T A 0.0000
71 P A -1.4282
72 G A -0.4070
73 A A -0.0328
74 V A 1.3107
75 N A 0.1630
76 A A 0.1847
77 C A -0.3852
78 H A -0.7138
79 L A -0.6867
80 S A -0.8066
81 C A 0.0000
82 S A -0.6262
83 A A -0.7651
84 L A 0.0000
85 L A -1.7336
86 Q A -2.6154
87 D A -3.2707
88 N A -2.6418
89 I A 0.0000
90 A A -0.8706
91 D A -0.8847
92 A A 0.0000
93 V A 0.0000
94 A A -0.4687
95 C A 0.0000
96 A A 0.0000
97 K A -1.6434
98 R A -1.8841
99 V A 0.0000
100 V A 0.0000
101 R A -3.2102
102 D A -2.5238
103 P A -1.7132
104 Q A -2.0663
105 G A -2.3250
106 I A -1.6697
107 R A -2.2304
108 A A -1.0239
109 W A 0.0000
110 V A 0.4323
111 A A -0.4029
112 W A -1.2908
113 R A -2.5532
114 N A -1.8397
115 R A -1.8159
116 C A 0.0000
117 Q A -2.6631
118 N A -3.0609
119 R A -4.0142
120 D A -3.6824
121 V A -2.9205
122 R A -3.3771
123 Q A -2.6986
124 Y A -1.7203
125 V A -1.2987
126 Q A -2.0772
127 G A -1.3183
128 C A 0.0000
129 G A -0.4865
130 V A -0.2992
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Laboratory of Theory of Biopolymers 2018