Project name: 299

Status: done

Started: 2025-07-21 09:56:25
Chain sequence(s) A: EVRLVESGGGLVKPGGSLRLSCETSELNFRTYSMHWVRQAPGKGPEWVACISSDKNYIYYADSVKGRFTVSRDNAKASLFLQMTSLRSEDTAIYFCASEGRGDITRGYFDHWGRGTHVTVSS
B: SYVLSQPPSVSVAPGQTATITCGGDNFRSKTLHWYRQKSGQAPVLVVYEDTDRPPEIPERISASKSENTATLTISRVEAGDEADYYCQLWDGSSDHWVFGGGTSLT
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                                          (00:00:01)
[INFO]       Analysis: Starting Aggrescan4D on folded.pdb                                          (00:02:12)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:13)
Show buried residues

Minimal score value
-3.2876
Maximal score value
1.4556
Average score
-0.8709
Total score value
-198.5726

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 -2.4965
2 V A -2.1101
3 R A -2.9113
4 L A 0.0000
5 V A -1.1639
6 E A 0.0000
7 S A -1.1124
8 G A -1.1280
9 G A -0.7059
10 G A 0.0264
11 L A 0.9555
12 V A -0.2851
13 K A -1.8516
14 P A -1.7977
15 G A -1.4287
16 G A -0.9091
17 S A -1.0198
18 L A -0.7515
19 R A -1.9380
20 L A 0.0000
21 S A -0.9415
22 C A 0.0000
23 E A -2.3437
24 T A -2.0701
25 S A -2.3657
26 E A -2.7576
27 L A -2.0804
28 N A -2.1335
29 F A 0.0000
30 R A -2.9073
31 T A -1.9771
32 Y A -1.4698
33 S 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 0.0000
40 A A -1.2437
41 P A -0.9794
42 G A -1.4370
43 K A -2.2299
44 G A -1.4165
45 P A 0.0000
46 E A -0.8575
47 W A 0.0000
48 V A 0.0000
49 A A 0.0000
50 C A 0.0000
51 I A 0.0000
52 S A -1.0927
53 S A -2.0981
54 D A -3.0033
55 K A -2.5174
56 N A -1.7122
57 Y A 0.4749
58 I A 0.9543
59 Y A 0.5040
60 Y A -0.6494
61 A A 0.0000
62 D A -2.4155
63 S A -1.6839
64 V A 0.0000
65 K A -2.4748
66 G A -1.5579
67 R A 0.0000
68 F A 0.0000
69 T A -0.5460
70 V A 0.0000
71 S A -0.3226
72 R A 0.0000
73 D A -1.7387
74 N A -2.4361
75 A A -1.4757
76 K A -2.5015
77 A A -2.3499
78 S A -1.6707
79 L A 0.0000
80 F A -0.5862
81 L A 0.0000
82 Q A -1.0780
83 M A 0.0000
84 T A -0.8149
85 S A -0.9662
86 L A 0.0000
87 R A -2.4534
88 S A -2.0936
89 E A -2.3737
90 D A 0.0000
91 T A -0.8763
92 A A 0.0000
93 I A -0.4123
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 E A 0.0000
100 G A -1.3107
101 R A -2.1362
102 G A -1.7910
103 D A -1.7714
104 I A -0.7724
105 T A -1.0101
106 R A -1.4562
107 G A 0.0000
108 Y A 0.0000
109 F A 0.0000
110 D A -0.6917
111 H A -0.4673
112 W A -0.5353
113 G A 0.0000
114 R A -2.3439
115 G A 0.0000
116 T A 0.0000
117 H A -0.9905
118 V A 0.0000
119 T A -0.4013
120 V A 0.0000
121 S A -1.0000
122 S A -0.8789
1 S B 0.2735
2 Y B 0.6595
3 V B 1.4556
4 L B 0.0000
5 S B -0.0655
6 Q B -0.3824
7 P B -0.4619
8 P B -0.6080
9 S B -0.4637
10 V B -0.0835
11 S B -0.3849
12 V B -0.7087
13 A B -0.9069
14 P B -1.6915
15 G B -2.3702
16 Q B -2.3535
17 T B -1.5563
18 A B 0.0000
19 T B -0.0518
20 I B 0.0000
21 T B -0.2436
22 C B 0.0000
23 G B -1.0425
24 G B -1.4127
25 D B -3.0226
26 N B -3.2876
27 F B 0.0000
28 R B -3.2042
29 S B -1.8557
30 K B -1.6743
31 T B -0.8773
32 L B 0.0000
33 H B 0.0000
34 W B 0.0000
35 Y B 0.0000
36 R B -0.5220
37 Q B 0.0000
38 K B -1.5147
39 S B -1.3528
40 G B -1.5063
41 Q B -1.9041
42 A B -1.0435
43 P B 0.0000
44 V B 0.7873
45 L B 0.0000
46 V B 0.0000
47 V B 0.0000
48 Y B -0.8912
49 E B -0.9871
50 D B -1.1885
51 T B -1.1829
52 D B -1.8270
53 R B -2.2958
54 P B -1.5135
55 P B -1.7101
56 E B -2.2434
57 I B -1.5442
58 P B -1.6652
59 E B -2.4231
60 R B -1.6589
61 I B 0.0000
62 S B -1.0790
63 A B -0.6786
64 S B -0.6089
65 K B -1.4689
66 S B -1.9207
67 E B -2.8396
68 N B -3.0835
69 T B -1.8046
70 A B 0.0000
71 T B -0.3513
72 L B 0.0000
73 T B -0.3892
74 I B 0.0000
75 S B -1.9906
76 R B -3.0138
77 V B 0.0000
78 E B -2.7285
79 A B -1.4257
80 G B -1.2719
81 D B 0.0000
82 E B -2.4526
83 A B 0.0000
84 D B -1.4156
85 Y B 0.0000
86 Y B 0.0000
87 C B 0.0000
88 Q B 0.0000
89 L B 0.0000
90 W B -0.2124
91 D B 0.0000
92 G B -0.7346
93 S B -0.6216
94 S B -0.6400
95 D B -0.6038
96 H B -0.6557
97 W B 0.0000
98 V B 0.4416
99 F B 0.2910
100 G B 0.0000
101 G B -0.8032
102 G B -0.9316
103 T B 0.0000
104 S B -0.9593
105 L B 0.0000
106 T B -0.7492
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