Project name: 287

Status: done

Started: 2025-07-21 09:52:41
Chain sequence(s) A: QAQLVQSGAELRGPGASVNISCKATGYDFTRNYIHWVRRAPGQGLEWMGTIDPSGAHESYAQKFRDRVSMTSDTITTTVYMELESLTSADMAVYFCARGGTNFYSNWFDSWGQGTLVIVSS
B: QSALAQPASVSGSPGQSVTISCTGTTNGIVNYRPISWYQQYPGKAPTLLIYEGSKRPSGVSNRFAASQSGNTASLTISGLQAEDEAEYFCCAYVETSLWVFGGGSKLTVL
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                                          (00:01:43)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:44)
Show buried residues

Minimal score value
-3.5351
Maximal score value
1.8021
Average score
-0.5494
Total score value
-126.906

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 -1.6049
2 A A -1.6168
3 Q A -1.6180
4 L A 0.0000
5 V A 0.1372
6 Q A 0.0000
7 S A -0.3895
8 G A -0.4475
9 A A 0.4030
10 E A 0.4698
11 L A 1.4210
12 R A -0.0079
13 G A -0.4739
14 P A -0.9870
15 G A -1.1566
16 A A -0.8180
17 S A -1.5261
18 V A 0.0000
19 N A -1.4837
20 I A 0.0000
21 S A -0.3961
22 C A 0.0000
23 K A -0.8879
24 A A 0.0000
25 T A -1.1505
26 G A -1.4517
27 Y A -1.6045
28 D A -2.3655
29 F A 0.0000
30 T A -1.7124
31 R A -2.6507
32 N A 0.0000
33 Y A 0.0000
34 I A 0.0000
35 H A 0.0000
36 W A 0.0000
37 V A 0.0000
38 R A 0.0000
39 R A -0.6319
40 A A -0.6154
41 P A -0.8265
42 G A -1.2514
43 Q A -1.7885
44 G A -1.2248
45 L A 0.0000
46 E A -0.6586
47 W A 0.0000
48 M A 0.0000
49 G A 0.0000
50 T A 0.0000
51 I A 0.0000
52 D A -1.4561
53 P A 0.0000
54 S A -1.0260
55 G A -1.1351
56 A A -0.8501
57 H A -1.4208
58 E A -1.7872
59 S A 0.0000
60 Y A -1.5593
61 A A 0.0000
62 Q A -2.8390
63 K A -3.0885
64 F A 0.0000
65 R A -3.5351
66 D A -3.5206
67 R A -2.7801
68 V A 0.0000
69 S A -1.5703
70 M A 0.0000
71 T A -0.6149
72 S A -0.2851
73 D A -0.0753
74 T A 0.5414
75 I A 1.8021
76 T A 0.5675
77 T A -0.0942
78 T A 0.0000
79 V A 0.0000
80 Y A -0.3826
81 M A 0.0000
82 E A -1.9003
83 L A 0.0000
84 E A -2.5158
85 S A -1.5053
86 L A 0.0000
87 T A -0.5977
88 S A -0.2869
89 A A 0.0327
90 D A 0.0000
91 M A 0.6146
92 A A 0.0000
93 V A 0.4101
94 Y A 0.0000
95 F A 0.0000
96 C A 0.0000
97 A A 0.0000
98 R A -0.4910
99 G A 0.0000
100 G A 0.0000
101 T A -1.0719
102 N A -1.0719
103 F A -0.0871
104 Y A 0.7862
105 S A 0.1545
106 N A 0.0719
107 W A 0.0344
108 F A 0.0000
109 D A -0.5956
110 S A -0.8529
111 W A -0.4349
112 G A 0.0000
113 Q A -1.4107
114 G A -0.6223
115 T A 0.0000
116 L A 0.9274
117 V A 0.0000
118 I A 1.1715
119 V A 0.0000
120 S A -0.0808
121 S A -0.4355
1 Q B -1.3077
2 S B -0.7771
3 A B -0.5186
4 L B 0.0000
5 A B -0.4492
6 Q B -0.4573
7 P B -0.3792
8 A B -0.4317
9 S B -0.5465
10 V B -0.2983
11 S B -0.0856
12 G B -0.3190
13 S B -0.3116
14 P B -0.9964
15 G B -1.4449
16 Q B -1.7604
17 S B -1.1341
18 V B -0.3523
19 T B -0.0778
20 I B 0.0000
21 S B -0.2568
22 C B 0.0000
23 T B -0.5141
24 G B 0.0000
25 T B -0.6642
26 T B -0.9209
27 N B -1.5874
28 G B -1.1977
29 I B 0.0000
30 V B 0.0000
31 N B -1.3557
32 Y B 0.3466
33 R B -0.1807
34 P B -0.4449
35 I 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 Y B -0.9868
42 P B -0.9912
43 G B -1.4055
44 K B -2.1062
45 A B -1.1943
46 P B 0.0000
47 T B -0.2772
48 L B 0.0000
49 L B 0.0000
50 I B 0.0000
51 Y B -1.0271
52 E B -1.3805
53 G B 0.0000
54 S B -1.4324
55 K B -2.2781
56 R B -2.0766
57 P B -1.0731
58 S B -0.7847
59 G B -0.7626
60 V B -0.8255
61 S B -1.0176
62 N B -1.6703
63 R B -1.1695
64 F B 0.0000
65 A B -0.8988
66 A B 0.0000
67 S B -0.8089
68 Q B -1.0006
69 S B -0.9027
70 G B -1.1239
71 N B -1.2863
72 T B -0.8725
73 A B 0.0000
74 S B -0.3454
75 L B 0.0000
76 T B -0.2056
77 I B 0.0000
78 S B -1.1168
79 G B -1.1870
80 L B 0.0000
81 Q B -1.7590
82 A B -1.2815
83 E B -2.3239
84 D B 0.0000
85 E B -1.6707
86 A B 0.0000
87 E B -0.8639
88 Y B 0.0000
89 F B 0.0000
90 C B 0.0000
91 C B 0.0000
92 A B 0.0000
93 Y B 0.1160
94 V B -0.2769
95 E B -1.4006
96 T B -0.5462
97 S B 0.0000
98 L B -0.1636
99 W B 0.0000
100 V B 0.0450
101 F B 0.0000
102 G B 0.0000
103 G B -1.0610
104 G B -0.8114
105 S B 0.0000
106 K B -1.2321
107 L B 0.0000
108 T B -0.3770
109 V B -0.1771
110 L B 1.2910
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