Project name: 286

Status: done

Started: 2025-07-21 09:52:24
Chain sequence(s) A: QMQLQESGPGLVKPSGTLSLTCAVSGASISTTNWWSWVRQPPGKGLEWIGEIYRTGNTNYNPALQSRVTISLDKSKNQFSLNLTSVTAADTAVYYCAREASWGGDSIAVVAATLRIGYFDSWGQGTLVTVSS
B: EIVLTQSPVTLSLSPGERAALSCRASQSISTSLAWYQQKPGQAPRLLIHDASKRATGIPARFSGSGSGTDFTLTISSLEPEDFAFYYCQHRSNWPPTWTFGQGTKVEIK
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                                          (00:01:49)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:50)
Show buried residues

Minimal score value
-2.7714
Maximal score value
1.7898
Average score
-0.4372
Total score value
-105.3656

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 -1.4750
2 M A -1.0392
3 Q A -1.4970
4 L A 0.0000
5 Q A -1.5038
6 E A 0.0000
7 S A -0.4690
8 G A -0.2118
9 P A 0.1063
10 G A 0.7382
11 L A 1.0885
12 V A 0.0000
13 K A -1.6435
14 P A -1.0670
15 S A -0.8718
16 G A -0.9048
17 T A -0.7249
18 L A 0.0000
19 S A -0.5424
20 L A 0.0000
21 T A -0.5018
22 C A 0.0000
23 A A -0.9785
24 V A 0.0000
25 S A -1.0574
26 G A -1.0743
27 A A -0.6428
28 S A -0.8244
29 I A 0.0000
30 S A -0.7487
31 T A -0.3487
32 T A -0.1662
33 N A 0.0000
34 W A 0.0000
35 W A 0.0000
36 S A 0.0000
37 W A 0.0000
38 V A 0.0000
39 R A 0.0000
40 Q A -0.6227
41 P A -0.7358
42 P A -0.8352
43 G A -1.5087
44 K A -2.3831
45 G A -1.5428
46 L A 0.0000
47 E A -0.9189
48 W A 0.0000
49 I A 0.0000
50 G A 0.0000
51 E A 0.0000
52 I A 0.0000
53 Y A 0.0000
54 R A -1.2180
55 T A -0.7924
56 G A -1.0121
57 N A -1.1276
58 T A -0.6382
59 N A -0.6080
60 Y A -0.4833
61 N A -0.6523
62 P A -0.7595
63 A A -0.4774
64 L A 0.0000
65 Q A -1.4879
66 S A -1.0222
67 R A -1.0179
68 V A 0.0000
69 T A -0.6062
70 I A 0.0000
71 S A -0.6709
72 L A -1.1277
73 D A -1.9997
74 K A -2.7714
75 S A -2.0799
76 K A -2.6505
77 N A -2.0532
78 Q A -1.5743
79 F A 0.0000
80 S A -0.3313
81 L A 0.0000
82 N A -0.7232
83 L A 0.0000
84 T A -0.5631
85 S A -0.7088
86 V A 0.0000
87 T A -0.4726
88 A A -0.2584
89 A A 0.0408
90 D A 0.0000
91 T A 0.4292
92 A A 0.0000
93 V A 0.6887
94 Y A 0.0000
95 Y A 0.0000
96 C A 0.0000
97 A A 0.0000
98 R A -0.4905
99 E A 0.0000
100 A A 0.0000
101 S A 0.3747
102 W A 1.1417
103 G A 0.2757
104 G A -0.2745
105 D A -0.5970
106 S A 0.0099
107 I A 0.9812
108 A A 0.0000
109 V A 0.8318
110 V A 1.7898
111 A A 1.2656
112 A A 1.1317
113 T A 1.3915
114 L A 1.7488
115 R A 1.1064
116 I A 0.6360
117 G A -0.0086
118 Y A -0.2434
119 F A 0.0000
120 D A -0.8149
121 S A -0.7403
122 W A -0.8231
123 G A 0.0000
124 Q A -1.7936
125 G A 0.0000
126 T A 0.2859
127 L A 1.6811
128 V A 0.0000
129 T A 0.5492
130 V A 0.0000
131 S A -0.4625
132 S A -0.6541
1 E B -1.3708
2 I B -0.1756
3 V B 0.7614
4 L B 0.0000
5 T B -0.5036
6 Q B 0.0000
7 S B -0.1399
8 P B 0.5572
9 V B 1.3643
10 T B 0.5382
11 L B 0.3774
12 S B -0.1768
13 L B -0.4654
14 S B -0.8133
15 P B -1.3420
16 G B -1.6947
17 E B -2.1436
18 R B -2.4438
19 A B 0.0000
20 A B -0.5024
21 L B 0.0000
22 S B -0.7247
23 C B 0.0000
24 R B -2.3996
25 A B 0.0000
26 S B -1.0051
27 Q B -1.7115
28 S B -1.3598
29 I B 0.0000
30 S B -0.8804
31 T B -0.9127
32 S B -0.4728
33 L B 0.0000
34 A 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 -1.6584
40 P B -1.1919
41 G B -1.4876
42 Q B -2.1711
43 A B -1.4461
44 P B 0.0000
45 R B -1.3695
46 L B 0.0000
47 L B 0.0000
48 I B 0.0000
49 H B -1.4495
50 D B -1.8320
51 A B 0.0000
52 S B -1.7429
53 K B -2.4974
54 R B -1.7419
55 A B 0.0000
56 T B -0.6511
57 G B -0.5040
58 I B -0.3868
59 P B -0.2970
60 A B -0.2721
61 R B -0.7216
62 F B 0.0000
63 S B -0.7162
64 G B -0.9696
65 S B -1.0478
66 G B -1.2717
67 S B -1.2670
68 G B -1.2962
69 T B -1.8705
70 D B -2.3713
71 F B 0.0000
72 T B -0.8069
73 L B 0.0000
74 T B -0.5452
75 I B 0.0000
76 S B -1.2831
77 S B -1.6506
78 L B 0.0000
79 E B -1.9288
80 P B -1.4322
81 E B -2.2793
82 D B 0.0000
83 F B -0.4167
84 A B 0.0000
85 F B 0.0770
86 Y B 0.0000
87 Y B 0.0000
88 C B 0.0000
89 Q B 0.0000
90 H B 0.0000
91 R B 0.0000
92 S B 0.0238
93 N B 0.6624
94 W B 1.0131
95 P B 0.1286
96 P B 0.0000
97 T B -0.2401
98 W B 0.0000
99 T B 0.0073
100 F B 0.0605
101 G B 0.0000
102 Q B -1.0090
103 G B -0.5272
104 T B 0.0000
105 K B -0.0584
106 V B 0.0000
107 E B 0.0123
108 I B 0.8725
109 K B -0.8364
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