Project name: 266

Status: done

Started: 2025-07-21 09:46:17
Chain sequence(s) A: QVQLVQSGAEVKKPGASVKVSCKASGYIFNNYALHWVRQAPGQRPEWMAWIDAGNGDTRYSQKFQGRLTISRDTFANIGYMELASLRSDDTAVYFCARDLSDDDGDKRGFDYWGQGTLITVSS
B: DVELTQSPDSLALSLGETATITCRSAHSVLHRVNNENYLSWYQQKPGQPPKLLISWASTRESGVPDRFSGSGSGTYFTLTINNLQAEDVAVYYCLQYFHFPRTFGQGTTVEIK
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                                          (00:01:54)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:55)
Show buried residues

Minimal score value
-3.5938
Maximal score value
1.4108
Average score
-0.691
Total score value
-163.0717

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 -1.5056
2 V A -0.6579
3 Q A -0.9994
4 L A 0.0000
5 V A 0.7680
6 Q A 0.0000
7 S A -0.4698
8 G A -0.5245
9 A A -0.0103
10 E A -0.5317
11 V A 0.7098
12 K A -1.1303
13 K A -2.1964
14 P A -2.2784
15 G A -1.6024
16 A A -1.2518
17 S A -1.3842
18 V A 0.0000
19 K A -2.1604
20 V A 0.0000
21 S A -0.5264
22 C A 0.0000
23 K A -0.8131
24 A A 0.0000
25 S A -0.4524
26 G A -0.6229
27 Y A 0.2208
28 I A 1.0095
29 F A 0.0000
30 N A -1.7490
31 N A -2.3984
32 Y A -1.5771
33 A A 0.0000
34 L 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 -0.6595
40 A A -0.9703
41 P A -0.9108
42 G A -1.3589
43 Q A -2.0149
44 R A -1.6519
45 P A 0.0000
46 E A -0.8036
47 W A 0.0000
48 M A 0.0000
49 A A 0.0000
50 W A 0.0000
51 I A 0.0000
52 D A 0.0000
53 A A 0.0000
54 G A -2.2217
55 N A -2.5620
56 G A -2.1436
57 D A -2.5344
58 T A -1.5642
59 R A -1.4079
60 Y A -0.7281
61 S A 0.0000
62 Q A -2.1887
63 K A -2.5331
64 F A 0.0000
65 Q A -2.2618
66 G A -1.5013
67 R A -1.3373
68 L A 0.0000
69 T A -0.7102
70 I A 0.0000
71 S A -0.7465
72 R A -0.9507
73 D A -0.6481
74 T A -0.1812
75 F A 1.4108
76 A A 0.3119
77 N A -0.3577
78 I A -0.2425
79 G A 0.0000
80 Y A -0.7314
81 M A 0.0000
82 E A -1.5589
83 L A 0.0000
84 A A -1.0962
85 S A -1.2153
86 L A 0.0000
87 R A -3.1115
88 S A -2.4122
89 D A -2.5248
90 D A 0.0000
91 T A -0.6786
92 A A 0.0000
93 V A 0.5212
94 Y A 0.0000
95 F A 0.0000
96 C A 0.0000
97 A A 0.0000
98 R A 0.0000
99 D A 0.0000
100 L A -0.2933
101 S A -1.8537
102 D A -3.1801
103 D A -3.3398
104 D A -3.5938
105 G A -2.4386
106 D A -2.1661
107 K A 0.0000
108 R A -0.8851
109 G A 0.0000
110 F A 0.0000
111 D A -0.1091
112 Y A 0.2465
113 W A -0.1178
114 G A 0.0000
115 Q A -0.9162
116 G A -0.2941
117 T A 0.0000
118 L A 0.8274
119 I A 0.0000
120 T A -0.2569
121 V A 0.0000
122 S A -1.0913
123 S A -1.0162
1 D B -2.2342
2 V B 0.0000
3 E B -2.4162
4 L B 0.0000
5 T B -1.1161
6 Q B 0.0000
7 S B -1.0469
8 P B -1.0624
9 D B -1.9507
10 S B -1.1583
11 L B -0.6058
12 A B -0.4148
13 L B -0.3386
14 S B -0.4456
15 L B 0.2043
16 G B -1.0722
17 E B -1.3601
18 T B -1.1461
19 A B 0.0000
20 T B -0.2695
21 I B 0.0000
22 T B -0.3999
23 C B 0.0000
24 R B -1.2968
25 S B 0.0000
26 A B -1.3220
27 H B -1.4786
28 S B -0.7310
29 V B 0.0000
30 L B -1.0154
31 H B -1.4226
32 R B -1.9356
33 V B -0.1451
34 N B -1.5610
35 N B -2.2706
36 E B -1.7677
37 N B -1.1125
38 Y B 0.0000
39 L B 0.0000
40 S B 0.0000
41 W B 0.0000
42 Y B 0.0000
43 Q B 0.0000
44 Q B 0.0000
45 K B -1.8538
46 P B -1.2596
47 G B -1.5139
48 Q B -2.2226
49 P B -1.4077
50 P B 0.0000
51 K B -1.5683
52 L B 0.0000
53 L B 0.0000
54 I B 0.0000
55 S B 0.0000
56 W B -0.2765
57 A B 0.0000
58 S B -0.7553
59 T B -0.7513
60 R B -1.6355
61 E B -1.5150
62 S B -0.8617
63 G B -0.9990
64 V B -1.1413
65 P B -1.3743
66 D B -2.2791
67 R B -1.7352
68 F B 0.0000
69 S B -0.9735
70 G B 0.0000
71 S B -0.3239
72 G B -0.3429
73 S B -0.2969
74 G B -0.6326
75 T B -0.1862
76 Y B 0.4642
77 F B 0.0000
78 T B -0.1791
79 L B 0.0000
80 T B -0.4490
81 I B 0.0000
82 N B -1.8699
83 N B -2.0196
84 L B 0.0000
85 Q B -1.2325
86 A B -0.7242
87 E B -1.8222
88 D B 0.0000
89 V B -0.3154
90 A B 0.0000
91 V B -0.2604
92 Y B 0.0000
93 Y B 0.0000
94 C B 0.0000
95 L B 0.0000
96 Q B 0.0000
97 Y B 0.0000
98 F B -0.0340
99 H B -0.3096
100 F B -0.0985
101 P B -0.6609
102 R B 0.0000
103 T B -0.8241
104 F B 0.0000
105 G B 0.0000
106 Q B -1.3398
107 G B 0.0000
108 T B 0.0000
109 T B -0.6782
110 V B 0.0000
111 E B -0.9869
112 I B -0.6408
113 K B -1.4043
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