Project name: 019

Status: done

Started: 2025-07-21 10:03:44
Chain sequence(s) A: QVQLQESGSGLLKPSQTLSLTCAVSGASISSTNYYWTWIRHHSGKGLEWIGHIYDSGRTQYNPSLKSRVTISVDTSKNQFSLNLRSLTAADTAMYYCARYRRKYCSGGSCHSWRVGYLYYGLDVWGQGTTVTVSS
B: SYELTQPPSVSVSPGQTARITCSGDTLSNQFAFWYQQRPGQAPILIIYQDNERPSGIPERFSGSSSGAIVTLTISGVQAEDEADYYCQSTDNSDYLVFGAGTKLTVL
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                                          (00:01:46)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:47)
Show buried residues

Minimal score value
-2.4636
Maximal score value
1.8615
Average score
-0.5568
Total score value
-134.7412

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 -1.5609
2 V A -1.2470
3 Q A -1.9246
4 L A 0.0000
5 Q A -1.8527
6 E A 0.0000
7 S A -0.8479
8 G A -0.6017
9 S A -0.3001
10 G A 0.3019
11 L A 1.1573
12 L A 0.0629
13 K A -1.0199
14 P A -1.1066
15 S A -1.1629
16 Q A -1.5066
17 T A -1.1384
18 L A 0.0000
19 S A -0.7205
20 L A 0.0000
21 T A -0.6124
22 C A 0.0000
23 A A -1.2015
24 V A 0.0000
25 S A -1.2606
26 G A -1.2300
27 A A -0.7423
28 S A -0.4524
29 I A 0.0000
30 S A -0.6747
31 S A -0.4168
32 T A -0.6054
33 N A -0.5402
34 Y A -0.4578
35 Y A 0.0000
36 W A 0.0000
37 T A 0.0000
38 W A 0.0000
39 I A 0.0000
40 R A 0.0000
41 H A -0.9256
42 H A -1.2213
43 S A -1.1636
44 G A -1.5253
45 K A -2.2404
46 G A 0.0000
47 L A 0.0000
48 E A -0.9653
49 W A 0.0000
50 I A 0.0000
51 G A 0.0000
52 H A 0.0000
53 I A 0.0000
54 Y A -1.1683
55 D A -1.7737
56 S A -1.4284
57 G A -1.7208
58 R A -2.4074
59 T A -1.2928
60 Q A -0.9202
61 Y A -0.6228
62 N A -0.5838
63 P A -0.6785
64 S A -0.8120
65 L A 0.0000
66 K A -2.0069
67 S A -1.3523
68 R A -1.3267
69 V A 0.0000
70 T A -0.7162
71 I A 0.0000
72 S A -0.5563
73 V A -0.6818
74 D A -1.3071
75 T A -1.1810
76 S A -1.3537
77 K A -2.1757
78 N A -1.5821
79 Q A -1.3335
80 F A 0.0000
81 S A -0.3308
82 L A 0.0000
83 N A -0.7231
84 L A 0.0000
85 R A -1.3195
86 S A -1.1365
87 L A 0.0000
88 T A -0.5469
89 A A -0.1707
90 A A -0.0115
91 D A 0.0000
92 T A 0.1137
93 A A 0.0000
94 M A -0.1542
95 Y A 0.0000
96 Y A 0.0000
97 C A 0.0000
98 A A 0.0000
99 R A 0.0000
100 Y A 0.0000
101 R A -0.6952
102 R A -0.4821
103 K A -0.4987
104 Y A 1.0698
105 C A 0.4136
106 S A -0.0588
107 G A -0.9231
108 G A -0.9595
109 S A -0.7838
110 C A -0.2223
111 H A -0.7749
112 S A 0.0299
113 W A 0.4400
114 R A 0.7488
115 V A 1.8615
116 G A 0.9893
117 Y A 0.8135
118 L A 0.2164
119 Y A 0.0000
120 Y A -0.3297
121 G A 0.0000
122 L A 0.0000
123 D A -0.0071
124 V A -0.1818
125 W A -0.2713
126 G A 0.0000
127 Q A -1.8872
128 G A -1.1232
129 T A 0.0000
130 T A -0.0223
131 V A 0.0000
132 T A 0.3336
133 V A 0.0000
134 S A -0.1863
135 S A -0.4187
1 S B -0.7112
2 Y B 0.1571
3 E B -1.4868
4 L B 0.0000
5 T B -0.4584
6 Q B 0.0000
7 P B -0.3925
8 P B -0.7009
9 S B -0.7874
10 V B -0.6162
11 S B -0.2404
12 V B 0.0000
13 S B -0.1863
14 P B -0.9243
15 G B -1.4048
16 Q B -1.6951
17 T B -1.4278
18 A B 0.0000
19 R B -1.8880
20 I B 0.0000
21 T B -0.3128
22 C B 0.0000
23 S B -0.3889
24 G B -1.0684
25 D B -2.3593
26 T B 0.0000
27 L B 0.0000
28 S B -1.3062
29 N B -1.7730
30 Q B -1.2403
31 F B 0.0000
32 A B 0.0000
33 F B 0.0000
34 W B 0.0000
35 Y B 0.0000
36 Q B 0.0000
37 Q B -1.1513
38 R B -2.1661
39 P B -1.5644
40 G B -1.5516
41 Q B -1.9132
42 A B -0.9212
43 P B 0.0000
44 I B 1.1309
45 L B 0.0000
46 I B 0.0000
47 I B 0.0000
48 Y B -0.5644
49 Q B 0.0000
50 D B 0.0000
51 N B -1.8384
52 E B -1.5878
53 R B -1.6927
54 P B -1.0150
55 S B -0.8341
56 G B -0.8375
57 I B -0.6449
58 P B -1.2898
59 E B -2.2121
60 R B -1.3561
61 F B 0.0000
62 S B -1.4223
63 G B -1.1766
64 S B -0.6769
65 S B -0.4217
66 S B -0.2200
67 G B -0.7852
68 A B -0.6206
69 I B 0.5336
70 V B 0.0000
71 T B -0.5310
72 L B 0.0000
73 T B -0.9407
74 I B 0.0000
75 S B -1.3868
76 G B -1.1301
77 V B 0.0000
78 Q B -1.7805
79 A B -1.2952
80 E B -2.4636
81 D B 0.0000
82 E B -2.1736
83 A B 0.0000
84 D B -1.7240
85 Y B 0.0000
86 Y B 0.0000
87 C B 0.0000
88 Q B 0.0000
89 S B 0.0000
90 T B 0.0000
91 D B 0.0000
92 N B -1.8541
93 S B -1.0623
94 D B -1.3364
95 Y B -0.2933
96 L B 0.0000
97 V B 0.0000
98 F B 0.0000
99 G B 0.0000
100 A B -1.0580
101 G B -0.8961
102 T B 0.0000
103 K B -1.8705
104 L B 0.0000
105 T B -0.3224
106 V B -0.1347
107 L B 1.3978
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