Project name: 290

Status: done

Started: 2025-07-21 09:53:39
Chain sequence(s) A: QVPLVQSGAEVKKPGASVKVACKASGYTFTAYYMHWVRQAPGQGLEPMAWTNPHRRDTKVAQKFQGRVTLTTDTSTDTAYMELRGLRPDDTATYFCASGLRGGAYYYAMDVWGQGTTVTVSS
B: QAVVTQEPSLTVSPGGTVTLTCASSTGAVTADHYSYWFQQKPGQAPTTLIYDTIEKHSWTPARFSGSLRGGKAALTLSGAQPEDEAEYHCLLSFGGVVSDSELSYSGDRYVVFGGGTKLTVL
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                                          (00:02:10)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:13)
Show buried residues

Minimal score value
-3.254
Maximal score value
1.3737
Average score
-0.511
Total score value
-124.6737

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 Q A -0.7241
2 V A 0.7797
3 P A 0.2025
4 L A 0.0000
5 V A 1.2492
6 Q A 0.0000
7 S A -0.5153
8 G A -0.6344
9 A A -0.3281
10 E A -0.5324
11 V A 0.6691
12 K A -1.1044
13 K A -2.2441
14 P A -2.4275
15 G A -1.8117
16 A A -1.4540
17 S A -1.5717
18 V A 0.0000
19 K A -1.9198
20 V A 0.0000
21 A A -0.3600
22 C A 0.0000
23 K A -0.9998
24 A A 0.0000
25 S A -0.5438
26 G A -0.4941
27 Y A -0.0633
28 T A -0.1103
29 F A 0.0000
30 T A -0.8841
31 A A -0.3854
32 Y A -0.0412
33 Y 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 -0.5738
39 Q A -0.8456
40 A A -1.1285
41 P A -0.9361
42 G A -1.2218
43 Q A -1.7612
44 G A -1.2028
45 L A 0.0000
46 E A -0.6405
47 P A -0.3044
48 M A 0.0000
49 A A 0.0000
50 W A 0.0000
51 T A 0.0000
52 N A 0.0000
53 P A 0.0000
54 H A -2.2163
55 R A -2.7835
56 R A -2.9904
57 D A -2.0726
58 T A -1.0958
59 K A -1.0526
60 V A -1.0812
61 A A -1.4841
62 Q A -2.5674
63 K A -2.7116
64 F A 0.0000
65 Q A -2.4812
66 G A -1.7250
67 R A -1.6584
68 V A 0.0000
69 T A -0.6419
70 L A -0.0420
71 T A -0.2635
72 T A -0.7047
73 D A -1.4402
74 T A -1.0670
75 S A -0.8703
76 T A -1.1847
77 D A -1.7533
78 T A 0.0000
79 A A 0.0000
80 Y A -0.2917
81 M A 0.0000
82 E A -1.1482
83 L A 0.0000
84 R A -1.6687
85 G A -1.6707
86 L A 0.0000
87 R A -3.2540
88 P A -2.4672
89 D A -2.5266
90 D A 0.0000
91 T A -0.9704
92 A A 0.0000
93 T A -0.3626
94 Y A 0.0000
95 F A 0.0000
96 C A 0.0000
97 A A 0.0000
98 S A 0.0000
99 G A 0.0000
100 L A 0.5803
101 R A -0.0254
102 G A -0.3584
103 G A -0.1363
104 A A 0.0000
105 Y A 0.2539
106 Y A 0.0000
107 Y A 0.0000
108 A A 0.0000
109 M A 0.0000
110 D A 0.0000
111 V A 0.3610
112 W A 0.0000
113 G A 0.0000
114 Q A -0.8334
115 G A -0.6743
116 T A 0.0000
117 T A -0.2956
118 V A 0.0000
119 T A -0.5329
120 V A 0.0000
121 S A -1.1321
122 S A -1.2036
1 Q B -0.7500
2 A B 0.0000
3 V B 1.3737
4 V B 0.0000
5 T B 0.0190
6 Q B 0.0000
7 E B -0.8649
8 P B -1.0492
9 S B -1.0262
10 L B -0.3301
11 T B -0.0793
12 V B 0.0000
13 S B 0.0401
14 P B -0.5816
15 G B -0.7370
16 G B -0.4525
17 T B -0.3663
18 V B 0.0321
19 T B -0.0916
20 L B 0.0000
21 T B -0.4648
22 C B 0.0000
23 A B -0.3235
24 S B 0.1249
25 S B 0.0656
26 T B -0.1859
27 G B -0.5367
28 A B -0.5689
29 V B 0.0000
30 T B -0.7812
31 A B -0.4935
32 D B -1.5482
33 H B -0.9399
34 Y B -0.1845
35 S B 0.0000
36 Y B 0.0000
37 W B 0.0000
38 F B 0.0000
39 Q B -0.6891
40 Q B 0.0000
41 K B -2.0738
42 P B -1.3884
43 G B -1.4908
44 Q B -2.0035
45 A B -1.2325
46 P B 0.0000
47 T B -0.2176
48 T B 0.0000
49 L B 0.0000
50 I B 0.0000
51 Y B -0.0643
52 D B -0.2371
53 T B 0.0000
54 I B 1.2535
55 E B -0.7758
56 K B -1.0315
57 H B -0.6879
58 S B -0.3028
59 W B 0.3370
60 T B 0.0000
61 P B -0.2051
62 A B -0.3107
63 R B -0.6275
64 F B 0.0000
65 S B -0.1497
66 G B 0.0000
67 S B 0.2406
68 L B -0.0458
69 R B -1.5381
70 G B -1.2446
71 G B -1.0020
72 K B -1.0878
73 A B 0.0000
74 A B 0.0000
75 L B 0.0000
76 T B -0.1624
77 L B 0.0000
78 S B -0.6042
79 G B -0.7579
80 A B 0.0000
81 Q B -1.6051
82 P B -1.6023
83 E B -2.6259
84 D B 0.0000
85 E B -2.3653
86 A B 0.0000
87 E B -1.6562
88 Y B 0.0000
89 H B 0.0000
90 C B 0.0000
91 L B 0.0000
92 L B 0.0000
93 S B 0.0000
94 F B 0.0000
95 G B -0.6767
96 G B -0.1202
97 V B 1.2131
98 V B 0.1779
99 S B -0.6370
100 D B -2.0719
101 S B -1.2373
102 E B -1.4645
103 L B 0.4588
104 S B 0.3946
105 Y B 0.8100
106 S B 0.0000
107 G B -0.4976
108 D B -1.7219
109 R B 0.0000
110 Y B -0.2865
111 V B 0.3586
112 V B 0.4609
113 F B 0.0000
114 G B 0.0000
115 G B -0.9001
116 G B -1.1593
117 T B 0.0000
118 K B -2.3127
119 L B 0.0000
120 T B -0.7775
121 V B 0.0000
122 L B 1.0789
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