Project name: 294

Status: done

Started: 2025-06-25 13:26:59
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Chain sequence(s) H: EVQLVESGGGLVQAGESLKLSCAASGRPFSTYTMGWFRQAPGKEREIVAASNWSGGSKYYSDSVKGRFTISRDNAKNTVYLQMNSLKPEDTAVYYCATRESGELRIREYEYDYWGQGTQVTVSS
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                                          (00:01:06)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:07)
Show buried residues

Minimal score value
-3.2214
Maximal score value
1.1263
Average score
-0.8092
Total score value
-100.3454

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 -2.5911
2 V H 0.0000
3 Q H -1.4608
4 L H 0.0000
5 V H 1.0864
6 E H 0.2339
7 S H -0.3898
8 G H -0.8762
9 G H -0.5334
11 G H 0.2362
12 L H 1.1263
13 V H -0.2540
14 Q H -1.6127
15 A H -1.8988
16 G H -1.8964
17 E H -2.2288
18 S H -1.6424
19 L H -0.8052
20 K H -1.3661
21 L H 0.0000
22 S H -0.2051
23 C H 0.0000
24 A H -0.1762
25 A H 0.0000
26 S H -1.4475
27 G H -2.1584
28 R H -2.4298
29 P H -1.3080
30 F H 0.0000
35 S H -0.6062
36 T H -0.5800
37 Y H 0.0000
38 T 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 -1.5829
45 A H -1.6324
46 P H -1.2828
47 G H -1.8534
48 K H -3.1365
49 E H -3.2214
50 R H -2.2939
51 E H -1.6636
52 I H 0.0000
53 V H 0.0000
54 A H 0.0000
55 A H 0.0000
56 S H 0.0000
57 N H 0.0000
58 W H 0.3484
59 S H -0.1791
62 G H -0.7477
63 G H -0.8039
64 S H -0.9856
65 K H -1.3447
66 Y H -0.6144
67 Y H -0.9082
68 S H -1.2698
69 D H -2.5290
70 S H -1.8621
71 V H 0.0000
72 K H -2.6503
74 G H -1.7835
75 R H -1.6983
76 F H 0.0000
77 T H -0.9218
78 I H 0.0000
79 S H -0.5702
80 R H -0.8196
81 D H -1.4512
82 N H -1.5462
83 A H -1.3519
84 K H -2.2232
85 N H -1.9166
86 T H -0.8663
87 V H 0.0000
88 Y H -0.2724
89 L H 0.0000
90 Q H -0.9831
91 M H 0.0000
92 N H -1.5720
93 S H -1.5305
94 L H 0.0000
95 K H -2.4059
96 P H -1.8146
97 E H -2.2732
98 D H 0.0000
99 T H -0.7585
100 A H 0.0000
101 V H -0.1731
102 Y H 0.0000
103 Y H -0.0506
104 C H 0.0000
105 A H 0.0000
106 T H 0.0000
107 R H -1.7060
108 E H -2.1157
109 S H -1.3669
110 G H -0.7411
111 E H -1.0644
111A L H -0.6459
111B R H -0.7964
112B I H -0.0065
112A R H -1.3497
112 E H -0.9727
113 Y H 0.2931
114 E H -0.7857
115 Y H 0.0000
116 D H -2.0844
117 Y H -1.3173
118 W H -0.2806
119 G H -0.1365
120 Q H -0.9411
121 G H -0.4155
122 T H -0.4902
123 Q H -0.6937
124 V H 0.0000
125 T H -0.1829
126 V H 0.0000
127 S H -0.7384
128 S H -0.8268
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Laboratory of Theory of Biopolymers 2018