Project name: c1d042636e88312

Status: done

Started: 2025-06-03 04:50:34
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Chain sequence(s) H: EVQLVESGGGLVQPGGSLRLSCAASGRTYDAMGWLRQAPGKEREFVAAISGSGDDTYYADSVKGRFTISRDNSKNTLYLQMNSLRPEDTAVYYCATRRGLYYVWDANDYENWGQGTLVTVSS
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                                          (00:02:12)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:14)
Show buried residues

Minimal score value
-3.1464
Maximal score value
2.0027
Average score
-0.6932
Total score value
-84.5674

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 -2.8087
2 V H 0.0000
3 Q H -1.6971
4 L H 0.0000
5 V H 1.1227
6 E H 0.4510
7 S H -0.2386
8 G H -0.7673
9 G H 0.1236
11 G H 0.8519
12 L H 1.4802
13 V H 0.0373
14 Q H -1.2818
15 P H -1.5889
16 G H -1.3002
17 G H -0.8836
18 S H -1.0760
19 L H -0.6647
20 R H -1.5882
21 L H 0.0000
22 S H -0.2828
23 C H 0.0000
24 A H -0.3510
25 A H -1.2735
26 S H -1.5413
27 G H -2.2463
28 R H -2.2289
29 T H -0.8582
36 Y H 0.7096
37 D H 0.1939
38 A H 0.0000
39 M H 0.0000
40 G H 0.0000
41 W H 0.0000
42 L H 0.0000
43 R H 0.0000
44 Q H -1.3830
45 A H -1.4026
46 P H -1.2520
47 G H -1.7714
48 K H -2.8876
49 E H -3.1464
50 R H -2.1926
51 E H -1.5370
52 F H -0.5445
53 V H 0.0000
54 A H 0.0000
55 A H 0.0000
56 I H 0.0000
57 S H -0.2950
58 G H -0.3223
59 S H -1.0949
62 G H -1.7000
63 D H -2.3558
64 D H -1.6566
65 T H -0.6603
66 Y H -0.0392
67 Y H -0.7661
68 A H -1.2430
69 D H -2.5260
70 S H -1.8268
71 V H 0.0000
72 K H -2.6512
74 G H -1.8167
75 R H -1.6114
76 F H 0.0000
77 T H -0.8077
78 I H 0.0000
79 S H -0.8128
80 R H -1.3786
81 D H -2.1243
82 N H -2.5055
83 S H -2.1110
84 K H -2.9626
85 N H -2.9910
86 T H -1.4890
87 L H 0.0000
88 Y H -0.4184
89 L H 0.0000
90 Q H -1.1119
91 M H 0.0000
92 N H -1.3244
93 S H -1.1648
94 L H 0.0000
95 R H -2.0305
96 P H -1.7456
97 E H -2.2460
98 D H 0.0000
99 T H -0.3686
100 A H 0.0000
101 V H 0.6981
102 Y H 0.0000
103 Y H 0.2820
104 C H 0.0000
105 A H 0.0000
106 T H 0.0000
107 R H 0.0000
108 R H -1.2855
109 G H 0.1683
110 L H 2.0027
111 Y H 1.9811
111A Y H 1.4312
111B V H 0.7549
112B W H 0.2454
112A D H -1.2095
112 A H -1.5562
113 N H -2.2228
114 D H -1.9205
115 Y H 0.0000
116 E H -2.1853
117 N H 0.0000
118 W H -0.1686
119 G H -0.1345
120 Q H -0.6913
121 G H 0.1209
122 T H 0.5549
123 L H 1.5849
124 V H 0.0000
125 T H 0.4077
126 V H 0.0000
127 S H -0.7650
128 S H -0.6783
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Laboratory of Theory of Biopolymers 2018