Project name: 271

Status: done

Started: 2025-07-21 09:47:25
Chain sequence(s) A: EVRLVESGGGLVQPGGSLRLSCAASGFTFSTSWMSWVRQGPGNGLEWVANIKEDGSQKYYVDSVKGRFTISRDNPKNSLFLQMNRLRVEDTAVYFCVRERTESFHEFWNGQYVHAGYHFYGMDVWGQGTTVTVAS
B: LVLTQSPATLSLSPGDRATLSCRASESVTTYVAWYQQKPGQAPRLLIYDVSNRATGIPARFSGGGSGTDFTLTISSLEPEDFAVYYCQQRGNWPPDFTFGPGTKVDIK
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                                          (00:01:26)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:28)
Show buried residues

Minimal score value
-2.6606
Maximal score value
1.8077
Average score
-0.5816
Total score value
-141.3194

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 E A -1.9469
2 V A -0.9036
3 R A -1.7021
4 L A 0.0000
5 V A -0.1445
6 E A 0.0000
7 S A -0.6068
8 G A -0.9021
9 G A -0.3195
10 G A 0.3119
11 L A 1.2478
12 V A 0.2522
13 Q A -1.1400
14 P A -1.3812
15 G A -1.7930
16 G A -1.3298
17 S A -1.4773
18 L A -0.8831
19 R A -1.6799
20 L A 0.0000
21 S A -0.4361
22 C A 0.0000
23 A A -0.4543
24 A A 0.0000
25 S A -0.9936
26 G A -1.0522
27 F A -0.3741
28 T A -0.0848
29 F A 0.0000
30 S A -1.1589
31 T A -0.9278
32 S A 0.0000
33 W A 0.0000
34 M A 0.0000
35 S A 0.0000
36 W A 0.0000
37 V A 0.0000
38 R A 0.0000
39 Q A -0.7303
40 G A -1.1958
41 P A -1.1125
42 G A -1.2795
43 N A -1.8493
44 G A -1.1460
45 L A 0.0000
46 E A -0.8936
47 W A 0.0000
48 V A 0.0000
49 A A 0.0000
50 N A 0.0000
51 I A 0.0000
52 K A -1.5929
53 E A -1.7684
54 D A -2.3633
55 G A -1.6905
56 S A -1.2698
57 Q A -1.2305
58 K A -1.0161
59 Y A -0.7534
60 Y A -0.9173
61 V A -1.1070
62 D A -2.2956
63 S A -1.6504
64 V A 0.0000
65 K A -2.4402
66 G A -1.8137
67 R A 0.0000
68 F A 0.0000
69 T A -0.8337
70 I A 0.0000
71 S A -0.4692
72 R A -1.1751
73 D A -1.5860
74 N A -1.7695
75 P A -1.4872
76 K A -2.2664
77 N A -1.5190
78 S A -0.9830
79 L A 0.0000
80 F A -0.3834
81 L A 0.0000
82 Q A -1.0947
83 M A 0.0000
84 N A -2.0588
85 R A -2.6606
86 L A 0.0000
87 R A -1.7260
88 V A 0.0504
89 E A -1.4099
90 D A 0.0000
91 T A -0.1088
92 A A 0.0000
93 V A 0.1400
94 Y A 0.0000
95 F A 0.0000
96 C A 0.0000
97 V A 0.0000
98 R A -0.6348
99 E A 0.0000
100 R A -1.1498
101 T A 0.0000
102 E A -2.0108
103 S A -1.0500
104 F A -0.6490
105 H A -0.3585
106 E A 0.3183
107 F A 1.8077
108 W A 1.3152
109 N A -0.5119
110 G A -0.3585
111 Q A -0.0513
112 Y A 1.4167
113 V A 1.8019
114 H A 0.3741
115 A A -0.0708
116 G A -0.7629
117 Y A 0.0000
118 H A -1.0500
119 F A 0.0000
120 Y A -0.5735
121 G A 0.0000
122 M A 0.0000
123 D A -0.8237
124 V A -0.6426
125 W A -0.7215
126 G A 0.0000
127 Q A -1.5132
128 G A -0.6957
129 T A -0.3122
130 T A 0.1289
131 V A 0.0000
132 T A 0.3177
133 V A 0.0000
134 A A -0.1000
135 S A -0.2693
1 L B 1.3421
2 V B 1.5765
3 L B 0.0000
4 T B -0.5475
5 Q B 0.0000
6 S B -0.6934
7 P B -0.3421
8 A B -0.3193
9 T B -0.4396
10 L B -0.1299
11 S B -0.3274
12 L B -0.4899
13 S B -0.8196
14 P B -1.3157
15 G B -1.6472
16 D B -2.0049
17 R B -2.5205
18 A B 0.0000
19 T B -0.6078
20 L B 0.0000
21 S B -0.9159
22 C B 0.0000
23 R B -2.4498
24 A B 0.0000
25 S B -0.8199
26 E B -1.8351
27 S B -1.4983
28 V B 0.0000
29 T B -0.6325
30 T B -0.4660
31 Y B 0.0000
32 V B 0.0000
33 A B 0.0000
34 W B 0.0000
35 Y B 0.0000
36 Q B 0.0000
37 Q B -1.1544
38 K B -1.6248
39 P B -1.1189
40 G B -1.5028
41 Q B -2.1523
42 A B -1.4391
43 P B 0.0000
44 R B -1.6336
45 L B 0.0000
46 L B 0.0000
47 I B 0.0000
48 Y B -0.6440
49 D B -0.7781
50 V B -0.6739
51 S B -1.1507
52 N B -1.7292
53 R B -1.7341
54 A B -1.1500
55 T B -0.7372
56 G B -0.6730
57 I B 0.0000
58 P B -0.4455
59 A B -0.4002
60 R B -0.8467
61 F B 0.0000
62 S B -0.7200
63 G B -0.7521
64 G B -0.8238
65 G B -1.1917
66 S B -1.0594
67 G B -1.3291
68 T B -1.9254
69 D B -2.2470
70 F B 0.0000
71 T B -0.7938
72 L B 0.0000
73 T B -0.6109
74 I B 0.0000
75 S B -1.3918
76 S B -1.6681
77 L B 0.0000
78 E B -2.0647
79 P B -1.2578
80 E B -2.0107
81 D B 0.0000
82 F B -0.3956
83 A B 0.0000
84 V B -0.3688
85 Y B 0.0000
86 Y B 0.0000
87 C B 0.0000
88 Q B 0.0000
89 Q B 0.0000
90 R B 0.0000
91 G B -0.3830
92 N B -0.9113
93 W B 0.3612
94 P B -0.0156
95 P B 0.0000
96 D B -0.4304
97 F B 0.0000
98 T B 0.3219
99 F B 0.0000
100 G B 0.0000
101 P B -0.5322
102 G B -0.5808
103 T B 0.0000
104 K B -0.8614
105 V B 0.0000
106 D B -0.0439
107 I B 0.8586
108 K B -0.8334
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