Project name: 1006-IGF

Status: done

Started: 2025-11-12 05:21:28
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Chain sequence(s) H: EVQLVESGGGLVQPGGSLRLACAASGSTLDYYGIGWFRQAPGKEREGVSCITISGGGTRYSDSVKGRFTISRDNSKNTLYLQMNSLRAEDTAVYYCAAGKSRLRTWCPLYNQGLDSWGQGTLVTVSS
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]                                                (00:00:01)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:01)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with H chain(s) selected             (00:00:01)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:01)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:01)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:01:02)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:03)
Show buried residues

Minimal score value
-2.8511
Maximal score value
1.6093
Average score
-0.7553
Total score value
-95.9264

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 -2.2559
2 V H -1.2921
3 Q H -1.3210
4 L H 0.0000
5 V H 0.7887
6 E H 0.2713
7 S H -0.2196
8 G H -0.7965
9 G H 0.1033
11 G H 0.7037
12 L H 1.4400
13 V H -0.0078
14 Q H -1.3599
15 P H -1.6118
16 G H -1.4277
17 G H -0.9601
18 S H -1.0690
19 L H -0.8632
20 R H -2.0103
21 L H 0.0000
22 A H -0.3827
23 C H 0.0000
24 A H -0.3622
25 A H -0.5739
26 S H -0.7798
27 G H -1.3045
28 S H -1.1736
29 T H -0.8371
30 L H 0.0000
35 D H -1.3680
36 Y H -0.5024
37 Y H 0.0000
38 G H 0.0000
39 I 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 -1.1439
45 A H 0.0000
46 P H -1.0581
47 G H -1.4806
48 K H -2.2448
49 E H -2.8213
50 R H -1.9954
51 E H -1.4619
52 G H -0.7689
53 V H 0.0000
54 S H 0.0000
55 C H 0.0000
56 I H 0.0000
57 T H 0.0000
58 I H -0.5129
59 S H -0.8402
62 G H -0.7442
63 G H -0.6671
64 G H -0.6293
65 T H -0.7476
66 R H -1.4559
67 Y H -1.3974
68 S H -1.6481
69 D H -2.5819
70 S H -1.7609
71 V H 0.0000
72 K H -2.6635
74 G H -1.6682
75 R H -1.5535
76 F H 0.0000
77 T H -0.9683
78 I H 0.0000
79 S H -0.4302
80 R H -1.0904
81 D H -1.7228
82 N H -2.3089
83 S H -1.7503
84 K H -2.5232
85 N H -2.1609
86 T H -1.0996
87 L H 0.0000
88 Y H -0.5221
89 L H 0.0000
90 Q H -1.3309
91 M H 0.0000
92 N H -1.4367
93 S H -1.2998
94 L H 0.0000
95 R H -2.4524
96 A H -1.7906
97 E H -2.2835
98 D H 0.0000
99 T H -0.3758
100 A H 0.0000
101 V H 0.7550
102 Y H 0.0000
103 Y H 0.1514
104 C H 0.0000
105 A H 0.0000
106 A H 0.0000
107 G H 0.0000
108 K H -2.8511
109 S H 0.0000
110 R H -2.4435
111 L H -1.5060
111A R H -2.1307
111B T H -0.9326
111C W H -0.1839
112D C H 0.0000
112C P H 0.0000
112B L H 0.2055
112A Y H -0.2223
112 N H -1.8958
113 Q H -2.0437
114 G H -1.9348
115 L H 0.0000
116 D H -2.7060
117 S H -1.5638
118 W H -0.4368
119 G H 0.0000
120 Q H -0.8285
121 G H -0.0110
122 T H 0.5281
123 L H 1.6093
124 V H 0.0000
125 T H 0.3908
126 V H 0.0000
127 S H -0.6581
128 S H -0.6538
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Laboratory of Theory of Biopolymers 2018