Project name: 240

Status: done

Started: 2025-07-21 09:36:07
Chain sequence(s) A: QVQLVESGGGVVQPGGSLRLSCIASGFAFRNYGMHWVRQAPGKGLEWVAFIRYDGSDYYFADSVKGRFTISRDNSKDTLVLQMKSLRAEDTAVYYCAKDAPRYYDFWSGYLGPSPDQSSGGKFCFDSWGQGTLVTVSS
B: QSALTQPASVSGSPGQSITISCTGTSSDVGRYKYVSWYQQHPGKAPKLIIYDVNNRPSGVPDRFSGSKSGNTASLTISGLQAEDEADYYCGSYRSSSTPYVFGTGTKVTVL
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                                          (00:02:11)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:13)
Show buried residues

Minimal score value
-2.881
Maximal score value
2.7357
Average score
-0.6162
Total score value
-153.4237

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 -1.2027
2 V A -0.5194
3 Q A -0.9975
4 L A 0.0000
5 V A 0.5482
6 E A 0.0000
7 S A -0.2353
8 G A -0.7943
9 G A 0.1434
10 G A 0.7187
11 V A 1.5533
12 V A 0.0000
13 Q A -1.4110
14 P A -1.7907
15 G A -1.6959
16 G A -1.2556
17 S A -1.7953
18 L A -1.2047
19 R A -2.3858
20 L A 0.0000
21 S A -0.3725
22 C A 0.0000
23 I A 0.4117
24 A A 0.0000
25 S A -0.6033
26 G A -0.5699
27 F A -0.3564
28 A A -0.5770
29 F A 0.0000
30 R A -2.8613
31 N A -1.0547
32 Y A -0.5627
33 G 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 -0.6457
40 A A -1.0452
41 P A -0.8519
42 G A -1.4697
43 K A -2.2088
44 G A -1.4115
45 L A 0.0000
46 E A -0.9503
47 W A 0.0000
48 V A 0.0000
49 A A 0.0000
50 F A 0.0000
51 I A 0.0000
52 R A -1.1309
53 Y A -1.3911
54 D A -2.3883
55 G A -1.5246
56 S A -0.9875
57 D A -0.9503
58 Y A 0.5859
59 Y A 0.0861
60 F A -0.5264
61 A A 0.0000
62 D A -2.4588
63 S A -1.7693
64 V A 0.0000
65 K A -2.5356
66 G A -1.8777
67 R A -1.6758
68 F A 0.0000
69 T A -0.8832
70 I A 0.0000
71 S A -0.7768
72 R A -1.8050
73 D A -2.5248
74 N A -2.8810
75 S A -2.1569
76 K A -2.7493
77 D A -2.2964
78 T A -1.2978
79 L A 0.0000
80 V A 0.0000
81 L A 0.0000
82 Q A -1.6973
83 M A 0.0000
84 K A -2.6092
85 S A -1.8281
86 L A 0.0000
87 R A -2.5108
88 A A -1.8005
89 E A -2.2603
90 D A 0.0000
91 T A -0.3770
92 A A 0.0000
93 V A 0.7132
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 A A 0.0000
101 P A 0.2304
102 R A 0.1437
103 Y A 1.1026
104 Y A 2.2937
105 D A 1.8555
106 F A 2.7357
107 W A 2.0094
108 S A 1.0427
109 G A 1.1159
110 Y A 1.4158
111 L A 1.8041
112 G A 0.0000
113 P A 0.0000
114 S A -0.5262
115 P A -1.1988
116 D A -2.2482
117 Q A -2.1263
118 S A -1.3559
119 S A -1.0637
120 G A 0.0000
121 G A -0.6094
122 K A 0.0000
123 F A 0.0000
124 C A 0.0000
125 F A 0.0000
126 D A -0.8019
127 S A -0.6139
128 W A -0.7526
129 G A 0.0000
130 Q A -1.5051
131 G A 0.0000
132 T A 0.4715
133 L A 1.6335
134 V A 0.0000
135 T A 0.3410
136 V A 0.0000
137 S A -0.8322
138 S A -0.5344
1 Q B -1.3539
2 S B -0.8097
3 A B -0.4987
4 L B 0.0000
5 T B -0.1779
6 Q B 0.0000
7 P B -0.3008
8 A B -0.4320
9 S B -0.6681
10 V B -0.3944
11 S B -0.3916
12 G B -0.4499
13 S B -0.4546
14 P B -1.0294
15 G B -1.4748
16 Q B -1.8394
17 S B -1.2200
18 I B 0.0000
19 T B -0.1770
20 I B 0.0000
21 S B -0.2731
22 C B 0.0000
23 T B -0.4905
24 G B -0.8062
25 T B -0.9728
26 S B -1.1422
27 S B -0.9658
28 D B 0.0000
29 V B 0.0000
30 G B -1.9852
31 R B -2.3115
32 Y B -1.5421
33 K B -2.1261
34 Y B -0.8150
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 -1.8393
42 P B -1.3104
43 G B -1.6058
44 K B -2.4887
45 A B -1.6405
46 P B 0.0000
47 K B -1.7122
48 L B 0.0000
49 I B 0.0000
50 I B 0.0000
51 Y B -1.0647
52 D B -1.3774
53 V B 0.0000
54 N B -2.3446
55 N B -2.2233
56 R B -2.1691
57 P B -0.9720
58 S B -0.9610
59 G B -0.9203
60 V B -1.1987
61 P B -1.3915
62 D B -2.4027
63 R B -1.4616
64 F B 0.0000
65 S B -1.4389
66 G B -1.2397
67 S B -1.1548
68 K B -1.5593
69 S B -1.0040
70 G B -1.3962
71 N B -1.5093
72 T B -0.8820
73 A B 0.0000
74 S B -0.5705
75 L B 0.0000
76 T B -0.3262
77 I B 0.0000
78 S B -1.2475
79 G B -1.3809
80 L B 0.0000
81 Q B -1.5927
82 A B -1.1472
83 E B -2.2868
84 D B 0.0000
85 E B -1.7102
86 A B 0.0000
87 D B -1.4344
88 Y B 0.0000
89 Y B 0.0000
90 C B 0.0000
91 G B 0.0000
92 S B 0.0000
93 Y B -0.2739
94 R B 0.0000
95 S B -0.5142
96 S B -0.6868
97 S B -0.7714
98 T B -0.9431
99 P B 0.0000
100 Y B 0.0000
101 V B 0.0000
102 F B 0.0000
103 G B 0.0000
104 T B -0.5059
105 G B -0.8501
106 T B 0.0000
107 K B -1.7247
108 V B 0.0000
109 T B -0.6202
110 V B 0.0000
111 L B 1.2461
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