Project name: 267

Status: done

Started: 2025-07-21 09:46:27
Chain sequence(s) A: QVQLVQSGSELKKPGASVKISCKASGYSFPTYPMIWVRQAPGQGLEWMGWINTNTGNPSYARDFTGRFVFSSDTSVSTAYLQISSLKADDTAIYYCARMQSTLWWLGQDGSDDSRRDWFFDLWGRGTLVSVSS
B: QSALTQPASVSGSPGQSITISCTGTSSDVGSYNLVSWYQQHPGIAPKLIIYEVNKRPSGVSNRFSGSKSGNTASLTISGLEAEDEADYYCCSYAGSDTLVFGGGTKLTVL
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                                          (00:02:06)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:07)
Show buried residues

Minimal score value
-2.9304
Maximal score value
1.2597
Average score
-0.6218
Total score value
-151.091

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 -0.7214
2 V A 0.5911
3 Q A -0.2963
4 L A 0.0000
5 V A -0.3281
6 Q A 0.0000
7 S A -0.7558
8 G A -0.7141
9 S A -0.0397
10 E A -0.1697
11 L A 0.6713
12 K A -1.1475
13 K A -2.2541
14 P A -2.2362
15 G A -1.5709
16 A A -1.2770
17 S A -1.3345
18 V A 0.0000
19 K A -1.6225
20 I A 0.0000
21 S A -0.6940
22 C A 0.0000
23 K A -0.9097
24 A A 0.0000
25 S A -0.2122
26 G A -0.2722
27 Y A 0.0282
28 S A -0.0686
29 F A 0.0000
30 P A -0.8847
31 T A -0.4618
32 Y A -0.2688
33 P A -0.5754
34 M A 0.0000
35 I A 0.0000
36 W A 0.0000
37 V A 0.0000
38 R A -0.4379
39 Q A -0.6077
40 A A -0.9267
41 P A -0.7463
42 G A -1.2433
43 Q A -1.7765
44 G A -1.2286
45 L A 0.0000
46 E A -1.1412
47 W A -0.7235
48 M A 0.0000
49 G A 0.0000
50 W A -0.1946
51 I A 0.0000
52 N A -1.3391
53 T A 0.0000
54 N A -1.8346
55 T A -1.4609
56 G A -1.6052
57 N A -1.8172
58 P A -0.6185
59 S A -0.4235
60 Y A -0.3016
61 A A -1.5087
62 R A -2.8412
63 D A -2.9304
64 F A 0.0000
65 T A -1.1180
66 G A -0.9540
67 R A -0.8842
68 F A 0.0000
69 V A 0.6099
70 F A 0.0000
71 S A -0.3778
72 S A -0.8942
73 D A -0.7808
74 T A -0.4610
75 S A 0.3321
76 V A 1.1365
77 S A 0.0689
78 T A 0.0000
79 A A 0.0000
80 Y A -0.4539
81 L A 0.0000
82 Q A -0.9169
83 I A 0.0000
84 S A -1.0087
85 S A -1.2979
86 L A 0.0000
87 K A -2.8897
88 A A -2.1439
89 D A -2.3751
90 D A 0.0000
91 T A -0.7142
92 A A 0.0000
93 I A 0.4558
94 Y A 0.0000
95 Y A 0.0000
96 C A 0.0000
97 A A 0.0000
98 R A -0.2975
99 M A 0.0000
100 Q A -0.7058
101 S A -0.5381
102 T A -0.0953
103 L A 0.5866
104 W A 0.1096
105 W A -0.6081
106 L A -0.3206
107 G A -1.3671
108 Q A -2.1211
109 D A -2.6361
110 G A -1.9934
111 S A -1.9087
112 D A -2.6972
113 D A -2.7326
114 S A -1.9502
115 R A -2.1047
116 R A -1.1331
117 D A -0.7988
118 W A 0.0000
119 F A 0.0000
120 F A 0.0000
121 D A -0.7604
122 L A -0.3698
123 W A -0.6343
124 G A 0.0000
125 R A -1.2329
126 G A 0.0000
127 T A 0.0000
128 L A 0.6264
129 V A 0.0000
130 S A -0.2608
131 V A 0.0000
132 S A -1.2125
133 S A -1.1126
1 Q B -1.7760
2 S B -0.8414
3 A B -0.6098
4 L B 0.0000
5 T B -0.3324
6 Q B -0.5716
7 P B -0.5056
8 A B -0.6247
9 S B -0.8500
10 V B -0.4676
11 S B -0.2066
12 G B 0.0000
13 S B -0.3182
14 P B -1.2259
15 G B -1.6061
16 Q B -1.8378
17 S B -1.1844
18 I B -0.3222
19 T B -0.0685
20 I B 0.0000
21 S B -0.2820
22 C B 0.0000
23 T B -0.4887
24 G B -0.5495
25 T B -0.6295
26 S B -0.7131
27 S B -0.5017
28 D B 0.0000
29 V B 0.0000
30 G B -0.9626
31 S B -0.5308
32 Y B -0.1934
33 N B -0.5710
34 L B 0.0000
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 -0.7334
42 P B -0.1973
43 G B 0.1584
44 I B 1.0474
45 A B 0.0179
46 P B 0.0000
47 K B -1.1303
48 L B 0.0000
49 I B 0.0000
50 I B 0.0000
51 Y B -0.9168
52 E B -1.2575
53 V B 0.0000
54 N B -2.0980
55 K B -1.8667
56 R B -1.7061
57 P B -0.8874
58 S B -0.7847
59 G B -0.7588
60 V B -0.8419
61 S B -1.0718
62 N B -1.7824
63 R B -1.4623
64 F B 0.0000
65 S B -1.2440
66 G B -1.1471
67 S B -1.1000
68 K B -1.1733
69 S B -0.9037
70 G B -1.1103
71 N B -1.2058
72 T B -0.8341
73 A B 0.0000
74 S B -0.5269
75 L B 0.0000
76 T B -0.2905
77 I B 0.0000
78 S B -1.2978
79 G B -1.4334
80 L B 0.0000
81 E B -2.4023
82 A B -1.6286
83 E B -2.6398
84 D B 0.0000
85 E B -2.1970
86 A B 0.0000
87 D B -1.2704
88 Y B 0.0000
89 Y B 0.0000
90 C B 0.0000
91 C B 0.0000
92 S B 0.0000
93 Y B 0.0000
94 A B -0.4868
95 G B -0.8616
96 S B -0.9865
97 D B -1.0623
98 T B -0.5157
99 L B 0.0000
100 V B 0.0000
101 F B 0.0000
102 G B 0.0000
103 G B -0.8469
104 G B -0.9776
105 T B 0.0000
106 K B -2.0412
107 L B 0.0000
108 T B -0.5974
109 V B -0.3589
110 L B 1.2597
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