Project name: 1eec448655c9004

Status: done

Started: 2026-05-25 06:43:25
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Chain sequence(s) A: EVQLVESGGGLVQPGGSLRLSCAASGGVNSDDFSLIPMGWFRQAPGKGRELVAAIGGDDAGATFLGHTIAAGATYYPDSVEGRFTISRDNAKRMVYLQMNSLRAEDTAVYYCAAKVGRKWYWGQGTQVTVSS
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]                                                (00:00:01)
[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 A 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                                          (00:00:55)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:56)
Show buried residues

Minimal score value
-2.9367
Maximal score value
1.0144
Average score
-0.8719
Total score value
-115.0906

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 A -2.1739
2 V A -1.2244
3 Q A -1.4734
4 L A 0.0000
5 V A 0.1821
6 E A -0.2616
7 S A -0.8206
8 G A -1.0450
9 G A -0.8159
10 G A -0.0573
11 L A 0.9935
12 V A -0.1066
13 Q A -1.4606
14 P A -1.8536
15 G A -1.5887
16 G A -1.0751
17 S A -1.3125
18 L A -0.8903
19 R A -2.1224
20 L A 0.0000
21 S A -0.5277
22 C A 0.0000
23 A A -0.4031
24 A A 0.0000
25 S A -1.2256
26 G A -1.5066
27 G A -1.5837
28 V A 0.0000
29 N A -2.7642
30 S A -2.6690
31 D A -2.8843
32 D A -2.5717
33 F A 0.0000
34 S A -2.0253
35 L A -1.1496
36 I A 0.0000
37 P A 0.0000
38 M A 0.0000
39 G A 0.0000
40 W A 0.0000
41 F A 0.0000
42 R A 0.0000
43 Q A -1.4023
44 A A -1.5553
45 P A -1.0828
46 G A -1.6307
47 K A -2.5440
48 G A -1.9688
49 R A -1.4259
50 E A -0.8949
51 L A 0.0000
52 V A 0.0000
53 A A 0.0000
54 A A 0.0000
55 I A -0.1222
56 G A 0.0000
57 G A 0.0000
58 D A -2.5965
59 D A -2.5014
60 A A -1.3262
61 G A -0.8321
62 A A 0.0000
63 T A -0.0816
64 F A 0.0000
65 L A 1.0144
66 G A 0.0304
67 H A -0.1912
68 T A -0.1853
69 I A 0.0000
70 A A -0.5804
71 A A -1.2956
72 G A -1.3596
73 A A -0.3636
74 T A 0.1117
75 Y A -0.0639
76 Y A -0.8377
77 P A -1.4528
78 D A -2.5812
79 S A -1.8508
80 V A 0.0000
81 E A -2.7482
82 G A -1.8480
83 R A -1.6027
84 F A 0.0000
85 T A -0.8080
86 I A 0.0000
87 S A -0.4485
88 R A -1.1332
89 D A -1.7600
90 N A -2.8082
91 A A -2.1299
92 K A -2.6030
93 R A -2.5352
94 M A -1.1029
95 V A 0.0000
96 Y A -0.5988
97 L A 0.0000
98 Q A -1.2473
99 M A 0.0000
100 N A -1.5144
101 S A -1.4428
102 L A 0.0000
103 R A -2.9367
104 A A -2.0325
105 E A -2.4665
106 D A 0.0000
107 T A -0.9607
108 A A 0.0000
109 V A -0.3985
110 Y A 0.0000
111 Y A -0.1610
112 C A 0.0000
113 A A 0.0000
114 A A 0.0000
115 K A -0.8841
116 V A -0.8632
117 G A -1.5759
118 R A -2.7486
119 K A -2.4120
120 W A -0.6298
121 Y A -0.1874
122 W A 0.2729
123 G A -0.3189
124 Q A -1.0114
125 G A 0.0000
126 T A -0.7972
127 Q A -0.9999
128 V A 0.0000
129 T A -0.3614
130 V A 0.0000
131 S A -0.8243
132 S A -0.4750
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Laboratory of Theory of Biopolymers 2018