Project name: 018

Status: done

Started: 2025-07-21 10:03:30
Chain sequence(s) A: QGELVQSGSEVKKVGASVKISCAVSGFSFAAYGFSWVRQAPGQGLEWMGWYSLYSPYKKVSHKFRDRIIMTVDMNAATFFLEVTGLRSDDAGTYFCVRDGTDRQTLEYFQSRSYIMDVWGQGTAVIVS
B: QSTLTQPPSASGSPGQSVTISCTGFSGDIGGSRHVAWYQQYPGKVPKLLIFEVDRRPSGVPHRFSGSVSGGTASLTVSGLRPEDEADYYCASYVDTTTRVFGGGTKLIV
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
-3.2269
Maximal score value
1.6652
Average score
-0.5423
Total score value
-128.5271

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 -1.7622
2 G A -1.8599
3 E A -2.0410
4 L A 0.0000
5 V A 0.6086
6 Q A 0.0000
7 S A -0.3724
8 G A -0.6964
9 S A -0.1467
10 E A 0.1549
11 V A 1.3367
12 K A -0.1648
13 K A -1.0827
14 V A -0.3666
15 G A -0.8296
16 A A -0.7433
17 S A -1.0141
18 V A 0.0000
19 K A -1.3204
20 I A 0.0000
21 S A -0.1688
22 C A 0.0000
23 A A 0.1548
24 V A 0.0000
25 S A -0.9558
26 G A -1.3707
27 F A -0.6501
28 S A -0.1471
29 F A 0.0000
30 A A 0.4901
31 A A 0.2413
32 Y A 0.1084
33 G A 0.0000
34 F A 0.0000
35 S A 0.0000
36 W A 0.0000
37 V A 0.0000
38 R A 0.0000
39 Q A -0.7447
40 A A -1.1300
41 P A -1.1719
42 G A -1.3257
43 Q A -1.7295
44 G A -1.3558
45 L A 0.0000
46 E A -0.8026
47 W A 0.0000
48 M A 0.0000
49 G A 0.0000
50 W A 0.0000
51 Y A 0.0000
52 S A 0.0000
53 L A 1.2112
54 Y A 1.5065
55 S A 0.5248
56 P A 0.2727
57 Y A 0.6276
58 K A -0.0457
59 K A -0.7602
60 V A -1.1626
61 S A -1.7914
62 H A -2.7781
63 K A -3.1332
64 F A 0.0000
65 R A -3.2269
66 D A -2.7943
67 R A -1.8797
68 I A 0.0000
69 I A 0.6085
70 M A 0.0000
71 T A 0.4478
72 V A 0.3535
73 D A -0.5429
74 M A 0.0115
75 N A -1.0464
76 A A -0.5339
77 A A -0.2695
78 T A 0.0000
79 F A 0.0000
80 F A 0.0803
81 L A 0.0000
82 E A -0.5748
83 V A 0.0000
84 T A -0.7907
85 G A -0.9701
86 L A 0.0000
87 R A -2.4901
88 S A -1.7554
89 D A -2.2163
90 D A 0.0000
91 A A -0.5334
92 G A -0.4141
93 T A -0.1411
94 Y A 0.0000
95 F A 0.0000
96 C A 0.0000
97 V A 0.0000
98 R A -0.4388
99 D A 0.0000
100 G A 0.0000
101 T A -0.6349
102 D A -0.9944
103 R A -1.9376
104 Q A 0.0000
105 T A -0.7844
106 L A -0.2189
107 E A -1.4665
108 Y A -0.1199
109 F A 0.0000
110 Q A -1.5716
111 S A -1.4414
112 R A -2.2761
113 S A -1.3134
114 Y A -1.0224
115 I A 0.0000
116 M A 0.0000
117 D A -0.9991
118 V A -1.0148
119 W A -0.5053
120 G A 0.0000
121 Q A -1.1674
122 G A -0.6220
123 T A 0.0000
124 A A 0.0670
125 V A 0.0000
126 I A 1.2114
127 V A -0.0446
128 S A -0.1632
1 Q B -1.7945
2 S B -0.8955
3 T B -0.5131
4 L B 0.0000
5 T B -0.4010
6 Q B 0.0000
7 P B -0.5467
8 P B -0.8582
9 S B -0.7678
10 A B -0.4745
11 S B -0.3127
12 G B -0.5834
13 S B -0.7395
14 P B -1.3653
15 G B -1.4956
16 Q B -1.8121
17 S B -1.2425
18 V B 0.0000
19 T B -0.2292
20 I B 0.0000
21 S B -0.1418
22 C B 0.0000
23 T B -0.3700
24 G B -0.4770
25 F B -0.2774
26 S B -0.6467
27 G B -1.6511
28 D B -2.3082
29 I B 0.0000
30 G B -0.9337
31 G B -0.8911
32 S B -0.9063
33 R B -1.1089
34 H B -0.3902
35 V B 0.0000
36 A 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 -1.1743
42 P B -1.0516
43 G B -1.2897
44 K B -1.9214
45 V B -0.8422
46 P B 0.0000
47 K B -1.1295
48 L B 0.0000
49 L B 0.0000
50 I B 0.0000
51 F B 0.0000
52 E B 0.0000
53 V B 0.0000
54 D B -2.0617
55 R B -2.2961
56 R B -2.2145
57 P B -1.3102
58 S B -0.8562
59 G B -0.9269
60 V B 0.0000
61 P B -1.0983
62 H B -1.5212
63 R B -1.0739
64 F B 0.0000
65 S B -1.2761
66 G B -1.0618
67 S B -0.6468
68 V B -0.4862
69 S B -0.5931
70 G B -0.8593
71 G B -0.9991
72 T B -0.5399
73 A B 0.0000
74 S B -0.3158
75 L B 0.0000
76 T B -0.3138
77 V B 0.0000
78 S B -1.1440
79 G B -1.3245
80 L B 0.0000
81 R B -2.1512
82 P B -1.6872
83 E B -2.3622
84 D B 0.0000
85 E B -1.7503
86 A B 0.0000
87 D B -1.3572
88 Y B 0.0000
89 Y B 0.0000
90 C B 0.0000
91 A B 0.0000
92 S B 0.0000
93 Y B 0.0000
94 V B 1.6652
95 D B 0.2635
96 T B -0.1758
97 T B -0.2181
98 T B 0.2837
99 R B 0.0000
100 V B 0.2763
101 F B 0.0000
102 G B 0.0000
103 G B -1.1961
104 G B -1.0652
105 T B 0.0000
106 K B -1.6346
107 L B 0.0000
108 I B -0.0372
109 V B -0.3959
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