Project name: 270

Status: done

Started: 2025-07-21 09:47:11
Chain sequence(s) A: QVQLQESGPGQVTSSETLSLTCTVSGDSVTSTSYYWGWIRQPPGKGLEWIGNIYDSGDTKYNPSLKSRVTISVDTSKNQFSLNLSSVTAADTAVYYCSRQATHDFWSGFYWASMGQEYYYYGLDVWGQGITVTVSS
B: QSALTQPVSASGSPGQSVTISCAGSSNDVGGYNYVSWYQQHPDKAPKLIMYEVNKRPSGVPDRFSASKSGNTASLTVSGLQADDEADYYCSSYAGSNNFFVFGTGTKVTVL
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                                          (00:01:37)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:38)
Show buried residues

Minimal score value
-3.1924
Maximal score value
3.1708
Average score
-0.5524
Total score value
-136.4528

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 -1.5540
2 V A -1.2720
3 Q A -1.8697
4 L A 0.0000
5 Q A -1.3965
6 E A 0.0000
7 S A -0.6496
8 G A -0.8762
9 P A -1.0103
10 G A -1.1579
11 Q A -1.5777
12 V A 0.0000
13 T A -0.9239
14 S A -0.9041
15 S A -1.0905
16 E A -1.6541
17 T A -1.1071
18 L A 0.0000
19 S A -0.7039
20 L A 0.0000
21 T A -0.5554
22 C A 0.0000
23 T A -1.1021
24 V A 0.0000
25 S A -1.2787
26 G A -1.2796
27 D A -1.1021
28 S A -0.6985
29 V A 0.0000
30 T A -0.9053
31 S A -0.6016
32 T A -0.7654
33 S A -0.5580
34 Y A -0.4076
35 Y A 0.0000
36 W A 0.0000
37 G A 0.0000
38 W A 0.0000
39 I A 0.0000
40 R A 0.0000
41 Q A -0.7744
42 P A -0.8892
43 P A -1.0087
44 G A -1.4787
45 K A -2.1933
46 G A -1.3685
47 L A 0.0000
48 E A -0.8042
49 W A 0.0000
50 I A 0.0000
51 G A 0.0000
52 N A 0.0000
53 I A 0.0000
54 Y A 0.0000
55 D A -1.9408
56 S A -1.3545
57 G A -1.2249
58 D A -1.3663
59 T A -0.7751
60 K A -0.9257
61 Y A -0.7700
62 N A 0.0000
63 P A -1.2361
64 S A -0.9447
65 L A 0.0000
66 K A -1.9715
67 S A -1.2707
68 R A -1.2413
69 V A 0.0000
70 T A -0.7276
71 I A 0.0000
72 S A -0.4730
73 V A -0.8115
74 D A -1.3252
75 T A -1.1744
76 S A -1.3515
77 K A -2.1931
78 N A -1.5963
79 Q A -1.2642
80 F A 0.0000
81 S A -0.4175
82 L A 0.0000
83 N A -0.7736
84 L A 0.0000
85 S A -0.9671
86 S A -1.0092
87 V A 0.0000
88 T A -0.4015
89 A A -0.0465
90 A A 0.0263
91 D A 0.0000
92 T A -0.2098
93 A A 0.0000
94 V A -0.0119
95 Y A 0.0000
96 Y A 0.0000
97 C A 0.0000
98 S A 0.0000
99 R A -0.4026
100 Q A 0.0000
101 A A 0.0000
102 T A 0.0000
103 H A -0.0561
104 D A -0.1991
105 F A 2.1512
106 W A 1.3322
107 S A 1.1424
108 G A 1.4210
109 F A 3.1510
110 Y A 3.1708
111 W A 2.8207
112 A A 1.7725
113 S A 1.6366
114 M A 1.4736
115 G A -0.1263
116 Q A -1.6026
117 E A -1.0653
118 Y A -0.4063
119 Y A 0.0486
120 Y A 0.0000
121 Y A -0.0421
122 G A 0.0000
123 L A 0.0000
124 D A -0.8647
125 V A -0.8296
126 W A -0.8581
127 G A 0.0000
128 Q A -1.9757
129 G A -1.0808
130 I A -0.2766
131 T A -0.3571
132 V A 0.0000
133 T A -0.5979
134 V A 0.0000
135 S A -0.4899
136 S A -0.3093
1 Q B -0.8861
2 S B -0.5024
3 A B -0.3043
4 L B 0.0000
5 T B 0.0556
6 Q B 0.0000
7 P B 0.4745
8 V B 1.2306
9 S B 0.0629
10 A B -0.2745
11 S B -0.3137
12 G B 0.0000
13 S B -0.2766
14 P B -1.0930
15 G B -1.5270
16 Q B -1.8384
17 S B -1.2584
18 V B 0.0000
19 T B -0.2143
20 I B 0.0000
21 S B -0.2589
22 C B 0.0000
23 A B -0.4830
24 G B -0.9217
25 S B -1.2006
26 S B -1.4550
27 N B -1.9370
28 D B -1.3936
29 V B 0.0000
30 G B -1.6751
31 G B -1.4211
32 Y B -0.9368
33 N B -1.3684
34 Y B -0.5460
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 -2.3040
42 P B -2.0233
43 D B -2.9056
44 K B -3.1924
45 A B -1.9287
46 P B 0.0000
47 K B -1.7514
48 L B 0.0000
49 I B 0.0000
50 M B 0.0000
51 Y B -0.8897
52 E B -1.0754
53 V B 0.0000
54 N B -2.2648
55 K B -2.0692
56 R B -1.9091
57 P B -1.0097
58 S B -0.7075
59 G B -0.8446
60 V B -1.1343
61 P B -1.3745
62 D B -2.2785
63 R B -1.6382
64 F B 0.0000
65 S B -1.3881
66 A B 0.0000
67 S B -1.0499
68 K B -1.3073
69 S B -0.9502
70 G B -1.2602
71 N B -1.6608
72 T B -0.9480
73 A B 0.0000
74 S B -0.4947
75 L B 0.0000
76 T B -0.3344
77 V B 0.0000
78 S B -1.3310
79 G B -1.3087
80 L B 0.0000
81 Q B -1.9619
82 A B -1.3914
83 D B -2.4302
84 D B 0.0000
85 E B -2.0006
86 A B 0.0000
87 D B -1.3598
88 Y B 0.0000
89 Y B 0.0000
90 C B 0.0000
91 S B 0.0000
92 S B 0.0000
93 Y B 0.0000
94 A B -0.9654
95 G B 0.0000
96 S B -1.2189
97 N B -1.7862
98 N B -1.4775
99 F B 0.0000
100 F B 0.0000
101 V B 0.0000
102 F B 0.0000
103 G B 0.0000
104 T B -0.1668
105 G B -0.4572
106 T B 0.0000
107 K B -1.3844
108 V B 0.0000
109 T B -0.6380
110 V B -0.2476
111 L B 1.3171
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