Project name: 289

Status: done

Started: 2025-07-21 09:53:22
Chain sequence(s) A: QVQLVESGGGVVQPGRSLRLSCGATGFNFGDSVMHWVRQAPGLGLEWVATITSDGGMTDYVDSVRGRFTLARDNSRNTLHLQMTGLRAEDSAVYYCVNDRNRLPGDQGHASYVMDVWGLGTTVIVSS
B: SVLTQPPSVSATAGQKASISCSGSPSAFGTAFVSWYQQFPGEAPRLVIYDTFERPSGIPDRFSGSWSASSATLDITTVQVGDEGDYYCGTWDSRLRLWVFGGGTKLTVL
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                                          (00:01:20)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:22)
Show buried residues

Minimal score value
-2.7943
Maximal score value
1.8131
Average score
-0.4671
Total score value
-110.2415

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 -1.3258
2 V A -0.7766
3 Q A -0.7286
4 L A 0.0000
5 V A 1.4517
6 E A 0.0000
7 S A -0.3144
8 G A -0.9513
9 G A -0.1289
10 G A 0.6783
11 V A 1.8131
12 V A 0.0247
13 Q A -1.4596
14 P A -1.8111
15 G A -2.0102
16 R A -2.4105
17 S A -1.6530
18 L A -0.9344
19 R A -1.8034
20 L A 0.0000
21 S A -0.5100
22 C A 0.0000
23 G A -0.3266
24 A A 0.0000
25 T A -0.7023
26 G A -0.9618
27 F A -0.9972
28 N A -1.8229
29 F A 0.0000
30 G A -2.4759
31 D A -2.6373
32 S A 0.0000
33 V A -0.6268
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 0.0119
40 A A -0.0410
41 P A 0.0292
42 G A 0.1077
43 L A 0.9599
44 G A -0.0148
45 L A 0.0000
46 E A -0.6026
47 W A 0.0000
48 V A 0.0000
49 A A 0.0000
50 T A 0.0000
51 I A 0.0000
52 T A -0.7193
53 S A -1.8064
54 D A -2.5126
55 G A -1.3021
56 G A -0.7123
57 M A 0.2691
58 T A 0.1228
59 D A -0.3406
60 Y A -1.0057
61 V A -1.2010
62 D A -2.3570
63 S A -1.7188
64 V A 0.0000
65 R A -2.6974
66 G A -1.7539
67 R A -1.1743
68 F A 0.0000
69 T A -0.8282
70 L A 0.0000
71 A A -0.5170
72 R A -1.6563
73 D A -2.4783
74 N A -2.7943
75 S A -1.9008
76 R A -2.7318
77 N A -2.1284
78 T A -1.3754
79 L A 0.0000
80 H A -0.9991
81 L A 0.0000
82 Q A -1.0268
83 M A 0.0000
84 T A -1.2720
85 G A -1.4941
86 L A 0.0000
87 R A -2.3536
88 A A -1.5796
89 E A -2.1415
90 D A 0.0000
91 S A -0.2707
92 A A 0.0000
93 V A 0.5951
94 Y A 0.0000
95 Y A 0.0000
96 C A 0.0000
97 V A 0.0000
98 N A 0.0000
99 D A 0.0000
100 R A -0.6415
101 N A -0.8451
102 R A -0.6985
103 L A 0.3158
104 P A -0.5771
105 G A -1.2563
106 D A -1.9562
107 Q A -2.0334
108 G A 0.0000
109 H A -1.3659
110 A A -0.5463
111 S A 0.0000
112 Y A -0.1007
113 V A 0.0000
114 M A 0.0000
115 D A -0.4697
116 V A 0.1376
117 W A 0.4699
118 G A 0.0000
119 L A 1.4134
120 G A 0.7723
121 T A 0.4093
122 T A 0.5540
123 V A 0.0000
124 I A 0.9490
125 V A 0.0000
126 S A -0.4901
127 S A -0.5488
1 S B 0.4190
2 V B 1.5432
3 L B 0.0000
4 T B 0.0524
5 Q B 0.0000
6 P B -0.5549
7 P B -0.8836
8 S B -0.9318
9 V B -0.5890
10 S B -0.2979
11 A B 0.0000
12 T B -0.0421
13 A B -0.2793
14 G B -1.0018
15 Q B -2.2693
16 K B -2.6474
17 A B 0.0000
18 S B -0.7959
19 I B 0.0000
20 S B -0.1556
21 C B 0.0000
22 S B 0.0477
23 G B 0.0604
24 S B -0.2088
25 P B -0.5627
26 S B -0.4267
27 A B 0.0000
28 F B 0.0000
29 G B -0.5958
30 T B -0.2978
31 A B 0.2129
32 F B 0.4139
33 V B 0.0000
34 S B 0.0000
35 W B 0.0000
36 Y B 0.0000
37 Q B 0.0000
38 Q B 0.0000
39 F B -1.0027
40 P B -1.0195
41 G B -1.1717
42 E B -1.8153
43 A B -0.6345
44 P B 0.0000
45 R B -1.2359
46 L B 0.0000
47 V B 0.0000
48 I B 0.0000
49 Y B -0.0931
50 D B 0.0000
51 T B 0.0000
52 F B 0.5143
53 E B -0.7894
54 R B -1.2725
55 P B -0.9288
56 S B -0.8916
57 G B -0.9241
58 I B 0.0000
59 P B -1.3745
60 D B -2.2660
61 R B -1.7019
62 F B 0.0000
63 S B -0.8746
64 G B 0.0465
65 S B 0.4148
66 W B 1.1515
67 S B 0.3008
68 A B 0.0355
69 S B -0.1889
70 S B 0.0003
71 A B 0.0000
72 T B 0.0674
73 L B 0.0000
74 D B -0.9905
75 I B 0.0000
76 T B -1.7509
77 T B -1.5106
78 V B 0.0000
79 Q B -0.4251
80 V B 1.1899
81 G B -0.0796
82 D B 0.0000
83 E B -0.9071
84 G B 0.0000
85 D B -1.4818
86 Y B 0.0000
87 Y B 0.0000
88 C B 0.0000
89 G B 0.0000
90 T B 0.0000
91 W B 0.0000
92 D B 0.0000
93 S B -0.8902
94 R B -1.4742
95 L B 0.1929
96 R B -0.5959
97 L B -0.1775
98 W B 0.0000
99 V B 0.3527
100 F B 0.0000
101 G B 0.0000
102 G B -0.2607
103 G B -0.7678
104 T B 0.0000
105 K B -1.9629
106 L B 0.0000
107 T B -0.1767
108 V B 0.5947
109 L B 1.6457
Download PDB file
View in 3Dmol