Project name: 257

Status: done

Started: 2025-07-21 09:42:37
Chain sequence(s) A: QLQLQESGPGLVKPSETLSLICTVSGGSISGSSYFWGWIRQPPGKGLEWIGIMYYTGTTYYSPSLKSRVTISVDRSKNQFSLRLSAVTAADTAVYYCARLVLGDCSSDNCPPIYYYYHMDVWGKGTTVTVSS
B: QSVLTQPPSASGTPGQRVTISCSGSSSNIGTYTVNWYQQLPGTAPKLLIYTNNHRPTGVPDRFSGSKSGTSASLAISGLQSEDEAVYYCAAWDDNLSVPNWVFGGGTKLTVL
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]                                                (00:00:01)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:01)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with all chain(s) selected           (00:00:01)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:01)
[INFO]       FoldX:    Starting FoldX energy minimization                                          (00:00:01)
[INFO]       Analysis: Starting Aggrescan4D on folded.pdb                                          (00:01:29)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:31)
Show buried residues

Minimal score value
-2.8758
Maximal score value
2.3323
Average score
-0.4823
Total score value
-117.6849

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 -1.6876
2 L A 0.0000
3 Q A -2.1078
4 L A 0.0000
5 Q A -1.6758
6 E A 0.0000
7 S A -0.4153
8 G A -0.2216
9 P A -0.0071
10 G A 0.2668
11 L A 0.8324
12 V A 0.0000
13 K A -2.0276
14 P A -1.4463
15 S A -1.4418
16 E A -2.1630
17 T A -1.6043
18 L A 0.0000
19 S A -0.9757
20 L A 0.0000
21 I A 0.0696
22 C A 0.0000
23 T A -0.9377
24 V A 0.0000
25 S A -1.3382
26 G A -1.3631
27 G A -1.0538
28 S A -1.0388
29 I A 0.0000
30 S A -0.6909
31 G A -0.1810
32 S A -0.1668
33 S A 0.1161
34 Y A 0.4107
35 F A 0.4741
36 W A 0.0000
37 G A 0.0000
38 W A 0.0000
39 I A 0.0000
40 R A 0.0000
41 Q A -0.7540
42 P A -0.8252
43 P A -1.0115
44 G A -1.4743
45 K A -2.3052
46 G A -1.4426
47 L A 0.0000
48 E A 0.0000
49 W A 0.0000
50 I A 0.0000
51 G A 0.0000
52 I A 0.0000
53 M A 0.0000
54 Y A 0.3678
55 Y A -0.1789
56 T A -0.2283
57 G A -0.1476
58 T A 0.0182
59 T A 0.2116
60 Y A 0.3406
61 Y A -0.2158
62 S A 0.0000
63 P A -0.4209
64 S A -0.9231
65 L A 0.0000
66 K A -1.8922
67 S A -1.2719
68 R A -1.3942
69 V A 0.0000
70 T A -1.0264
71 I A 0.0000
72 S A -0.5214
73 V A -0.8095
74 D A -2.0966
75 R A -2.8758
76 S A -2.2289
77 K A -2.7612
78 N A -2.1912
79 Q A -1.5566
80 F A 0.0000
81 S A -0.3237
82 L A 0.0000
83 R A -1.7845
84 L A 0.0000
85 S A -1.1675
86 A A -0.9529
87 V A 0.0000
88 T A -0.6194
89 A A -0.2666
90 A A 0.0181
91 D A 0.0000
92 T A 0.1446
93 A A 0.0000
94 V A 0.0573
95 Y A 0.0000
96 Y A 0.0000
97 C A 0.0000
98 A A 0.0000
99 R A -0.1606
100 L A 0.0000
101 V A 0.6395
102 L A 1.2972
103 G A 0.0000
104 D A -0.1809
105 C A 0.0000
106 S A -1.2212
107 S A -1.6562
108 D A -2.5959
109 N A -2.0950
110 C A -0.9645
111 P A -0.5753
112 P A -0.4097
113 I A 1.0345
114 Y A 2.0691
115 Y A 2.3323
116 Y A 1.7149
117 Y A 1.2507
118 H A 0.0000
119 M A 0.0000
120 D A -0.4477
121 V A -0.7435
122 W A -0.9649
123 G A 0.0000
124 K A -2.0480
125 G A 0.0000
126 T A -0.5897
127 T A 0.1100
128 V A 0.0000
129 T A 0.1556
130 V A 0.0000
131 S A -0.4968
132 S A -0.6980
1 Q B -1.2116
2 S B -0.0852
3 V B 1.2468
4 L B 0.0000
5 T B 0.0458
6 Q B 0.0000
7 P B -0.5866
8 P B -0.7627
9 S B -0.8546
10 A B -0.6712
11 S B -0.3500
12 G B 0.0000
13 T B -0.3807
14 P B -1.1143
15 G B -1.7076
16 Q B -2.1357
17 R B -2.5540
18 V B 0.0000
19 T B -0.5705
20 I B 0.0000
21 S B -0.3475
22 C B 0.0000
23 S B -0.2239
24 G B -0.1656
25 S B -0.4885
26 S B -0.8040
27 S B -0.7729
28 N B 0.0000
29 I B 0.0000
30 G B -0.6847
31 T B -0.2980
32 Y B 0.2824
33 T B 0.0000
34 V B 0.0000
35 N B 0.0000
36 W B 0.0000
37 Y B 0.0000
38 Q B 0.0000
39 Q B 0.0000
40 L B -0.5128
41 P B -0.3739
42 G B -0.6751
43 T B -0.7284
44 A B -0.8566
45 P B 0.0000
46 K B -1.2568
47 L B 0.0000
48 L B 0.0000
49 I B 0.0000
50 Y B -0.4213
51 T B 0.0000
52 N B -1.0963
53 N B -1.7285
54 H B -1.5402
55 R B -1.3600
56 P B -0.5097
57 T B -0.4400
58 G B -0.7721
59 V B -0.8172
60 P B -1.3170
61 D B -2.2201
62 R B -1.6696
63 F B 0.0000
64 S B -1.2011
65 G B -1.0329
66 S B -1.0810
67 K B -1.2287
68 S B -0.8579
69 G B -0.9126
70 T B -0.7440
71 S B -0.7352
72 A B 0.0000
73 S B -0.6075
74 L B 0.0000
75 A B -0.6217
76 I B 0.0000
77 S B -1.7986
78 G B -1.5864
79 L B 0.0000
80 Q B -1.7674
81 S B -1.5185
82 E B -2.4018
83 D B 0.0000
84 E B -1.5978
85 A B 0.0000
86 V B -0.4566
87 Y B 0.0000
88 Y B 0.0000
89 C B 0.0000
90 A B 0.0000
91 A B 0.0000
92 W B 0.0006
93 D B 0.0000
94 D B -1.0795
95 N B -1.1562
96 L B 0.2904
97 S B 0.1008
98 V B 0.4487
99 P B -0.0679
100 N B 0.0000
101 W B 0.0000
102 V B 0.0000
103 F B 0.0000
104 G B 0.0000
105 G B -0.7821
106 G B -0.8228
107 T B 0.0000
108 K B -1.4118
109 L B 0.0000
110 T B -0.5416
111 V B 0.0000
112 L B 1.1049
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