Project name: 269

Status: done

Started: 2025-07-21 09:46:58
Chain sequence(s) A: QVQLVESGGGVVQPGKNLILSCEASGLSFSDYGMHWVRQAPGKGLEWVARVSFHGGNIYYADSVKGRFTISRDNSKNTLYLQLNSLRFEDTAVYFCAKEQDCSSPRCPKRRGLKVLTYYFGLDVWGQGTTVTVSS
B: DIQMTQSPSSLSASVGDRVTITCRASQAIRNDLGWYQQKPGKAPKRLIYAASSLQSGVPSRFSGSGSGTEFTLTISSLQPEDFATYYCLQHNSYPYTFGQGTKLEIK
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                                          (00:02:09)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:10)
Show buried residues

Minimal score value
-3.5599
Maximal score value
1.3787
Average score
-0.5945
Total score value
-143.8667

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 -1.3553
2 V A -0.7746
3 Q A -1.5721
4 L A 0.0000
5 V A -0.4770
6 E A 0.0000
7 S A -0.3804
8 G A 0.0065
9 G A 0.2486
10 G A 0.5001
11 V A 1.3787
12 V A 0.0000
13 Q A -1.3678
14 P A -1.4891
15 G A -1.8659
16 K A -2.6601
17 N A -2.0497
18 L A 0.0627
19 I A 1.3414
20 L A 0.0000
21 S A -0.0521
22 C A 0.0000
23 E A -2.2294
24 A A 0.0000
25 S A -1.1533
26 G A -0.9184
27 L A -0.3946
28 S A -0.1579
29 F A 0.0000
30 S A -0.6672
31 D A 0.0000
32 Y A 0.2029
33 G A 0.0000
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 -0.8151
40 A A -1.2178
41 P A -1.0000
42 G A -1.4683
43 K A -2.3586
44 G A -1.5874
45 L A 0.0000
46 E A -1.0712
47 W A 0.0000
48 V A 0.0000
49 A A 0.0000
50 R A 0.0000
51 V A 0.0000
52 S A 0.0000
53 F A -0.3700
54 H A -1.2733
55 G A -0.9304
56 G A -0.7183
57 N A -0.9172
58 I A 0.4410
59 Y A 0.3510
60 Y A -0.3886
61 A A 0.0000
62 D A -2.5821
63 S A -1.7493
64 V A 0.0000
65 K A -2.5050
66 G A -1.7076
67 R A -1.5259
68 F A 0.0000
69 T A -0.2251
70 I A 0.0000
71 S A -0.3720
72 R A -1.0410
73 D A -1.8705
74 N A -1.7872
75 S A -1.6057
76 K A -2.7038
77 N A -2.2759
78 T A 0.0000
79 L A 0.0000
80 Y A 0.1753
81 L A 0.0000
82 Q A 0.0244
83 L A 0.0000
84 N A -1.4362
85 S A -1.7708
86 L A 0.0000
87 R A -1.5165
88 F A 0.2195
89 E A -1.2597
90 D A 0.0000
91 T A -0.0269
92 A A 0.0000
93 V A 0.1224
94 Y A 0.0000
95 F A 0.0000
96 C A 0.0000
97 A A 0.0000
98 K A 0.0000
99 E A 0.0000
100 Q A -0.0744
101 D A 0.0577
102 C A -0.2431
103 S A -0.5016
104 S A 0.0000
105 P A -1.4032
106 R A -2.2421
107 C A 0.0000
108 P A -2.0102
109 K A -3.3559
110 R A -3.5599
111 R A -2.6052
112 G A -0.4518
113 L A 0.7304
114 K A -0.3156
115 V A 1.1970
116 L A 0.2818
117 T A -0.2082
118 Y A 0.1902
119 Y A 0.5108
120 F A 0.5890
121 G A 0.0000
122 L A 0.0000
123 D A -0.3897
124 V A -0.3298
125 W A 0.0000
126 G A 0.0000
127 Q A -1.5825
128 G A -0.7563
129 T A -0.2728
130 T A 0.1508
131 V A 0.0000
132 T A 0.3947
133 V A 0.0000
134 S A 0.1134
135 S A -0.1310
1 D B -2.4072
2 I B 0.0000
3 Q B -2.3286
4 M B 0.0000
5 T B -1.3991
6 Q B 0.0000
7 S B -0.7290
8 P B -0.5805
9 S B -0.8088
10 S B -0.8105
11 L B -0.3708
12 S B -0.7891
13 A B -0.7234
14 S B -0.5708
15 V B 0.2500
16 G B -0.7016
17 D B -1.5269
18 R B -2.2531
19 V B 0.0000
20 T B -0.6176
21 I B 0.0000
22 T B -0.7835
23 C B 0.0000
24 R B -2.6564
25 A B 0.0000
26 S B -1.9541
27 Q B -2.3180
28 A B -1.5917
29 I B 0.0000
30 R B -2.2573
31 N B -1.4789
32 D B 0.0000
33 L B 0.0000
34 G B 0.0000
35 W B 0.0000
36 Y B 0.0000
37 Q B 0.0000
38 Q B 0.0000
39 K B -1.7965
40 P B -1.2378
41 G B -1.6871
42 K B -2.6876
43 A B -1.7577
44 P B 0.0000
45 K B -1.7111
46 R B 0.0000
47 L B 0.0000
48 I B 0.0000
49 Y B 0.2551
50 A B -0.1319
51 A B 0.0000
52 S B -0.3332
53 S B 0.0278
54 L B 0.2143
55 Q B -0.3615
56 S B -0.4337
57 G B -0.5873
58 V B 0.0000
59 P B -0.4185
60 S B -0.4717
61 R B -0.7462
62 F B 0.0000
63 S B -0.3543
64 G B -0.2689
65 S B -0.7004
66 G B -1.2652
67 S B -1.5094
68 G B -1.6684
69 T B -1.8239
70 E B -2.0411
71 F B 0.0000
72 T B -0.7073
73 L B 0.0000
74 T B -0.6166
75 I B 0.0000
76 S B -1.3184
77 S B -1.1018
78 L B 0.0000
79 Q B -0.6897
80 P B -0.9874
81 E B -1.6845
82 D B 0.0000
83 F B -0.6103
84 A B 0.0000
85 T B -0.7879
86 Y B 0.0000
87 Y B 0.0000
88 C B 0.0000
89 L B 0.0000
90 Q B 0.0000
91 H B 0.0000
92 N B -1.0622
93 S B -0.5443
94 Y B 0.0129
95 P B -0.4308
96 Y B 0.0000
97 T B -0.7911
98 F B -0.4715
99 G B 0.0000
100 Q B -1.6921
101 G B 0.0000
102 T B 0.0000
103 K B -1.3414
104 L B 0.0000
105 E B -1.0758
106 I B -0.8117
107 K B -1.4664
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