Project name: 247

Status: done

Started: 2025-07-21 09:38:59
Chain sequence(s) A: EVQLVESGGGLVQPGRSLRLYCAASGFIFNDYAMHWVRQAPGKGLEWVSGINWNSDNIGYADSVKGRFTISRDNARNSLYLQMDSLRAADTALYYCAKDIGRGDGFYHDDTGYPTTHYYFGMDVWGQGTTVAVSS
B: QSALTQPRSVSGSPGQSVTISCTGTSSDVGGYDYVSWYQQHPGKAPKLMIYDVTKRPSGVPDRFSGSKSGNTASLTISGLQPEDEADYYCCSYAGSNTFVVFGGATKLTVL
input PDB
Selected Chain(s) A,B
Distance of aggregation 10 Å
FoldX usage Yes
pH calculations No
alphaCutter usage No
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 all chain(s) selected           (00:00:00)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:00)
[INFO]       FoldX:    Starting FoldX energy minimization                                          (00:00:00)
[INFO]       Analysis: Starting Aggrescan4D on folded.pdb                                          (00:01:32)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:33)
Show buried residues

Minimal score value
-2.8934
Maximal score value
1.6331
Average score
-0.6131
Total score value
-150.8211

The table below lists A4D score for protein residues. Residues with A4D score > 0.0000 are marked by yellow rows.

residue index residue name chain Aggrescan4D score mutation
1 E A -1.9776
2 V A -0.7387
3 Q A -1.0588
4 L A 0.0000
5 V A 0.9478
6 E A 0.0000
7 S A 0.0409
8 G A -0.3089
9 G A -0.0366
10 G A 0.4034
11 L A 1.2607
12 V A -0.3224
13 Q A -1.6173
14 P A -1.9296
15 G A -2.2275
16 R A -2.5861
17 S A -1.8290
18 L A -0.7163
19 R A -0.8020
20 L A 0.0000
21 Y A 0.7605
22 C A 0.0000
23 A A 0.0966
24 A A 0.0000
25 S A -0.6402
26 G A -0.7439
27 F A 0.4678
28 I A 1.6331
29 F A 0.0000
30 N A -0.9228
31 D A -0.1932
32 Y A 0.1468
33 A A 0.0000
34 M A 0.0000
35 H A 0.0000
36 W A 0.0000
37 V A 0.0000
38 R A 0.0000
39 Q A -0.8773
40 A A -0.9412
41 P A -1.0259
42 G A -1.5042
43 K A -2.2466
44 G A -1.4706
45 L A 0.0000
46 E A -1.0296
47 W A 0.0000
48 V A 0.0000
49 S A 0.0000
50 G A 0.0000
51 I A 0.0000
52 N A 0.0000
53 W A -0.8160
54 N A -1.4933
55 S A -1.4251
56 D A -1.7019
57 N A -0.5086
58 I A 0.5559
59 G A 0.0000
60 Y A -0.8880
61 A A -1.7765
62 D A -2.8934
63 S A -1.7685
64 V A 0.0000
65 K A -2.5962
66 G A -1.7710
67 R A -1.5171
68 F A 0.0000
69 T A -0.6117
70 I A 0.0000
71 S A -0.3551
72 R A -1.3222
73 D A -2.4232
74 N A -1.9925
75 A A -1.7414
76 R A -2.7240
77 N A -1.8175
78 S A -1.1818
79 L A 0.0000
80 Y A -0.0526
81 L A 0.0000
82 Q A -0.6477
83 M A 0.0000
84 D A -1.9187
85 S A -1.9209
86 L A 0.0000
87 R A -2.4234
88 A A -1.0615
89 A A -0.5535
90 D A 0.0000
91 T A -0.1328
92 A A 0.0000
93 L A 0.0397
94 Y A 0.0000
95 Y A 0.0000
96 C A 0.0000
97 A A 0.0000
98 K A 0.0000
99 D A 0.0000
100 I A 0.3868
101 G A 0.0000
102 R A -0.4359
103 G A 0.0000
104 D A -0.5443
105 G A 0.0000
106 F A 0.0000
107 Y A 0.2644
108 H A -0.6178
109 D A -0.9409
110 D A -0.5458
111 T A -0.7273
112 G A -0.1181
113 Y A 0.5963
114 P A 0.0485
115 T A -0.0562
116 T A -0.2376
117 H A -0.4026
118 Y A 0.0000
119 Y A 0.2626
120 F A 0.0000
121 G A 0.0000
122 M A 0.0000
123 D A -0.6015
124 V A -0.2465
125 W A -0.3340
126 G A 0.0000
127 Q A -1.3044
128 G A -0.5344
129 T A -0.0979
130 T A -0.0237
131 V A 0.0000
132 A A 0.2042
133 V A 0.0000
134 S A -0.5654
135 S A -0.4651
1 Q B -1.7332
2 S B -0.8127
3 A B -0.5424
4 L B 0.0000
5 T B -0.4977
6 Q B -0.9502
7 P B -1.3279
8 R B -2.4089
9 S B -1.6567
10 V B -0.6472
11 S B -0.2119
12 G B 0.0000
13 S B -0.1952
14 P B -0.9293
15 G B -1.3879
16 Q B -1.7035
17 S B -1.0911
18 V B -0.3164
19 T B -0.0754
20 I B 0.0000
21 S B -0.2843
22 C B 0.0000
23 T B -0.5223
24 G B -0.6203
25 T B -0.7022
26 S B -0.7960
27 S B -0.7462
28 D B -0.7823
29 V B 0.0000
30 G B -1.3369
31 G B -1.0604
32 Y B -1.2558
33 D B -1.8364
34 Y B -0.6878
35 V B 0.0000
36 S B 0.0000
37 W B 0.0000
38 Y B 0.0000
39 Q B 0.0000
40 Q B 0.0000
41 H B -1.8433
42 P B -1.3234
43 G B -1.5544
44 K B -2.3895
45 A B -1.5414
46 P B 0.0000
47 K B -1.6029
48 L B 0.0000
49 M B 0.0000
50 I B 0.0000
51 Y B -0.5817
52 D B -0.8410
53 V B 0.0000
54 T B -1.1148
55 K B -1.6278
56 R B -1.5917
57 P B -0.7960
58 S B -0.6923
59 G B -0.8346
60 V B -1.0879
61 P B -1.3217
62 D B -2.3441
63 R B -1.4980
64 F B 0.0000
65 S B -1.0696
66 G B -0.6480
67 S B -0.8835
68 K B -1.2117
69 S B -0.9115
70 G B -1.1318
71 N B -1.2851
72 T B -0.8701
73 A B 0.0000
74 S B -0.3820
75 L B 0.0000
76 T B -0.2725
77 I B 0.0000
78 S B -1.1911
79 G B -1.2954
80 L B 0.0000
81 Q B -1.6665
82 P B -1.4958
83 E B -2.4940
84 D B 0.0000
85 E B -2.1645
86 A B 0.0000
87 D B -1.7568
88 Y B 0.0000
89 Y B 0.0000
90 C B 0.0000
91 C B 0.0000
92 S B 0.0000
93 Y B 0.0000
94 A B 0.0000
95 G B 0.0000
96 S B -0.5877
97 N B -1.3393
98 T B -1.0955
99 F B 0.0492
100 V B 0.0000
101 V B 0.0000
102 F B 0.0000
103 G B 0.0000
104 G B -1.2348
105 A B -1.4836
106 T B 0.0000
107 K B -2.5996
108 L B 0.0000
109 T B -0.6399
110 V B -0.2956
111 L B 1.3064
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