Project name: 280

Status: done

Started: 2025-07-21 09:50:36
Chain sequence(s) A: QAQMVQSGAEVKEPGASVKVSCEAFGYTFTHYYVHWVRQAPGLGLEWMGRIVPSRGDTKYGQRFQGRITMSTDNSIKTAYLELTGVTPDDTAVYFCGRGVQSFDAWGQGTLVIVSS
B: DIQMTQSPSSLSASVGDRVIITCRTSQAIGNDLAWYQQQPGKAPKRLMYATSTLDRGVPSRFGGSGSGTEFTLTIANLQPEDFATYYCLHYNTFPYAFGQGTNLE
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                                          (00:01:57)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:58)
Show buried residues

Minimal score value
-2.8483
Maximal score value
1.4063
Average score
-0.5885
Total score value
-130.0661

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 -1.4282
2 A A -1.0740
3 Q A -1.2005
4 M A 0.0000
5 V A 0.1673
6 Q A 0.0000
7 S A -0.6113
8 G A -0.6096
9 A A 0.1471
10 E A -0.1452
11 V A 1.1186
12 K A -0.5917
13 E A -1.8594
14 P A -1.6809
15 G A -1.2430
16 A A -1.0302
17 S A -1.2058
18 V A 0.0000
19 K A -2.1042
20 V A 0.0000
21 S A -0.5754
22 C A 0.0000
23 E A -0.6200
24 A A 0.0000
25 F A -0.1199
26 G A -0.6513
27 Y A -0.4480
28 T A -0.3247
29 F A 0.0000
30 T A -0.9668
31 H A -0.7308
32 Y A 0.0415
33 Y A -0.0841
34 V 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 0.2461
40 A A 0.1137
41 P A 0.1140
42 G A 0.0853
43 L A 0.9213
44 G A 0.0244
45 L A 0.0000
46 E A -0.3167
47 W A 0.0000
48 M A 0.0000
49 G A 0.0000
50 R A 0.0000
51 I A 0.0000
52 V A 0.0000
53 P A 0.0000
54 S A -1.5825
55 R A -2.4147
56 G A -1.8862
57 D A -1.7624
58 T A -0.9888
59 K A -0.7900
60 Y A -0.8335
61 G A 0.0000
62 Q A -2.7443
63 R A -2.8483
64 F A 0.0000
65 Q A -2.5184
66 G A -1.6646
67 R A -1.4695
68 I A 0.0000
69 T A -0.8368
70 M A 0.0000
71 S A -0.5906
72 T A -0.9708
73 D A -1.1160
74 N A -1.1372
75 S A -0.2958
76 I A 0.4018
77 K A -0.8075
78 T A 0.0000
79 A A 0.0000
80 Y A -0.6119
81 L A 0.0000
82 E A -1.4942
83 L A 0.0000
84 T A -0.9582
85 G A -0.9123
86 V A 0.0000
87 T A -1.3374
88 P A -1.4216
89 D A -1.8582
90 D A 0.0000
91 T A -0.1304
92 A A 0.0000
93 V A 0.6449
94 Y A 0.0000
95 F A 0.0000
96 C A 0.0000
97 G A 0.0000
98 R A -0.3630
99 G A 0.0000
100 V A 0.4687
101 Q A -0.4203
102 S A 0.0000
103 F A 0.0000
104 D A -1.0812
105 A A -1.2138
106 W A -0.8193
107 G A 0.0000
108 Q A -1.4043
109 G A -0.5614
110 T A 0.0000
111 L A 0.8390
112 V A 0.0000
113 I A 0.7042
114 V A 0.0000
115 S A -0.6976
116 S A -0.8594
1 D B -2.2114
2 I B -1.5922
3 Q B -1.9841
4 M B 0.0000
5 T B -1.1524
6 Q B 0.0000
7 S B -0.3902
8 P B -0.2559
9 S B -0.7342
10 S B -0.8463
11 L B -0.4048
12 S B -0.8783
13 A B -0.6458
14 S B -0.4259
15 V B 0.3663
16 G B -1.0508
17 D B -1.6572
18 R B -2.0877
19 V B 0.0000
20 I B 1.4063
21 I B 0.0000
22 T B -0.1752
23 C B 0.0000
24 R B -1.9769
25 T B 0.0000
26 S B -1.7658
27 Q B -2.0695
28 A B -1.3289
29 I B 0.0000
30 G B -1.4809
31 N B -1.7361
32 D B -1.4097
33 L B 0.0000
34 A B 0.0000
35 W B 0.0000
36 Y B 0.0000
37 Q B 0.0000
38 Q B 0.0000
39 Q B -1.6003
40 P B -1.2175
41 G B -1.6655
42 K B -2.5995
43 A B -1.7105
44 P B 0.0000
45 K B -2.2340
46 R B -1.3500
47 L B 0.0000
48 M B 0.0000
49 Y B -0.1225
50 A B -0.5055
51 T B 0.0000
52 S B -0.4641
53 T B -0.1966
54 L B -0.3952
55 D B -1.3557
56 R B -2.0868
57 G B -1.3266
58 V B -0.7479
59 P B -0.5763
60 S B -0.5483
61 R B -1.0447
62 F B 0.0000
63 G B -0.1595
64 G B -0.1145
65 S B -0.8277
66 G B -1.2434
67 S B -1.4185
68 G B -1.4150
69 T B -1.6811
70 E B -2.2349
71 F B 0.0000
72 T B -0.2506
73 L B 0.0000
74 T B 0.0396
75 I B 0.0000
76 A B -1.5197
77 N B -2.1498
78 L B 0.0000
79 Q B -1.1025
80 P B -0.8116
81 E B -1.6602
82 D B 0.0000
83 F B -0.7393
84 A B 0.0000
85 T B -0.6653
86 Y B 0.0000
87 Y B 0.0000
88 C B 0.0000
89 L B 0.0000
90 H B 0.0000
91 Y B 0.0000
92 N B -1.1389
93 T B -0.3939
94 F B 0.0481
95 P B -0.3536
96 Y B 0.0000
97 A B -0.5974
98 F B 0.0000
99 G B 0.0000
100 Q B -1.1982
101 G B 0.0000
102 T B 0.0000
103 N B -1.3505
104 L B 0.0000
105 E B -1.9064
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