Project name: 279

Status: done

Started: 2025-07-21 09:50:18
Chain sequence(s) A: QVQLKQSRTELKAPGASVTVSCQASGYRFTSVDINWVRQTTGQGLEWMGSVTPITGNTVTAQIFEGRVTMTRDTATSTAYMELTSLKLDDTAVYFCATCSGGSCYLGHWGQGTQVTVSS
B: IQLTQSPSSLSASVGDSITITCRSSQNIATYVHWFQQKPGKAPQLLIHDTSSLQSGVPSRFSGGGYGTEFTLTIVNFQPDDFATYFCQHSYETPFSFGPGTTVDVK
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                                          (00:01:10)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:11)
Show buried residues

Minimal score value
-2.7612
Maximal score value
1.5369
Average score
-0.5054
Total score value
-113.7061

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 -1.4277
2 V A -1.1533
3 Q A -2.1236
4 L A 0.0000
5 K A -2.7612
6 Q A 0.0000
7 S A -1.7026
8 R A -2.4347
9 T A -1.0122
10 E A -0.4358
11 L A 0.9153
12 K A -0.1382
13 A A -0.3089
14 P A -1.0337
15 G A -0.9261
16 A A -0.7390
17 S A -0.8050
18 V A 0.0000
19 T A -0.4560
20 V A 0.0000
21 S A -0.8360
22 C A 0.0000
23 Q A -1.7604
24 A A 0.0000
25 S A -1.4945
26 G A -1.1713
27 Y A -1.0999
28 R A -1.7550
29 F A 0.0000
30 T A 0.0381
31 S A -0.2425
32 V A 0.0925
33 D A -0.1691
34 I A 0.0000
35 N A 0.0000
36 W A 0.0000
37 V A 0.0000
38 R A 0.0000
39 Q A -0.5893
40 T A -0.8453
41 T A -0.7157
42 G A -1.3348
43 Q A -1.6126
44 G A -1.1379
45 L A 0.0000
46 E A -0.8422
47 W A 0.0000
48 M A 0.0000
49 G A 0.0000
50 S A -0.0147
51 V A 0.0000
52 T A 0.0156
53 P A 0.0000
54 I A 1.5369
55 T A 0.3487
56 G A -0.5394
57 N A -0.9669
58 T A -0.2520
59 V A 0.4289
60 T A -0.1151
61 A A 0.0000
62 Q A -0.8040
63 I A 0.7617
64 F A 0.0000
65 E A -1.8452
66 G A -1.4285
67 R A -1.0800
68 V A 0.0000
69 T A -0.6623
70 M A 0.0000
71 T A -0.7125
72 R A -0.8262
73 D A -0.7847
74 T A -0.3696
75 A A -0.2798
76 T A -0.4955
77 S A -0.8789
78 T A 0.0000
79 A A 0.0000
80 Y A -0.2546
81 M A 0.0000
82 E A -0.9891
83 L A 0.0000
84 T A -0.9000
85 S A -0.9523
86 L A 0.0000
87 K A -1.8581
88 L A -0.4043
89 D A -1.6419
90 D A 0.0000
91 T A -0.5213
92 A A 0.0000
93 V A -0.0346
94 Y A 0.0000
95 F A 0.0000
96 C A 0.0000
97 A A 0.0000
98 T A 0.0000
99 C A -0.1420
100 S A -0.3379
101 G A -0.6604
102 G A -0.7067
103 S A -0.3514
104 C A -0.2298
105 Y A -0.0181
106 L A 0.0000
107 G A -0.3779
108 H A -0.8718
109 W A -0.8877
110 G A 0.0000
111 Q A -2.2450
112 G A -1.4616
113 T A 0.0000
114 Q A -0.9796
115 V A 0.0000
116 T A -0.0337
117 V A 0.0000
118 S A -0.2339
119 S A -0.3526
1 I B -0.0526
2 Q B -1.1395
3 L B 0.0000
4 T B -1.1332
5 Q B 0.0000
6 S B -0.4862
7 P B -0.3011
8 S B -0.5326
9 S B -0.6262
10 L B -0.4880
11 S B -0.8657
12 A B 0.0000
13 S B -0.1705
14 V B 0.6990
15 G B -0.6140
16 D B -0.8732
17 S B -0.6420
18 I B 0.0000
19 T B -0.0733
20 I B 0.0000
21 T B -0.9273
22 C B 0.0000
23 R B -2.7101
24 S B -2.0882
25 S B -1.6673
26 Q B -2.1513
27 N B -1.8088
28 I B 0.0000
29 A B -0.1581
30 T B 0.0697
31 Y B 0.3758
32 V B 0.0000
33 H B 0.0000
34 W B 0.0000
35 F B 0.0000
36 Q B -0.7949
37 Q B -1.2748
38 K B -1.7201
39 P B -1.3731
40 G B -1.6874
41 K B -2.5884
42 A B -1.6299
43 P B 0.0000
44 Q B -1.4273
45 L B 0.0000
46 L B 0.0000
47 I B 0.0000
48 H B -0.3207
49 D B -0.4034
50 T B 0.0000
51 S B -0.3119
52 S B -0.2054
53 L B 0.1500
54 Q B -0.2648
55 S B -0.3633
56 G B -0.4922
57 V B -0.3001
58 P B -0.3413
59 S B -0.3055
60 R B -0.5318
61 F B 0.0000
62 S B -0.1939
63 G B -0.4203
64 G B -0.5587
65 G B -0.6429
66 Y B 0.1662
67 G B 0.0000
68 T B -1.9525
69 E B -2.5559
70 F B 0.0000
71 T B -0.7269
72 L B 0.0000
73 T B -0.1949
74 I B 0.0000
75 V B -0.3395
76 N B -1.2917
77 F B 0.0000
78 Q B -1.0597
79 P B -0.7601
80 D B -1.8285
81 D B 0.0000
82 F B -0.4455
83 A B 0.0000
84 T B -0.7750
85 Y B 0.0000
86 F B 0.0000
87 C B 0.0000
88 Q B 0.0000
89 H B 0.0000
90 S B 0.0000
91 Y B -0.0045
92 E B -1.1973
93 T B -0.5760
94 P B -0.3900
95 F B 0.0000
96 S B -0.3713
97 F B 0.0000
98 G B 0.0000
99 P B -0.8826
100 G B -0.7272
101 T B 0.0000
102 T B -0.8821
103 V B 0.0000
104 D B -1.3196
105 V B 0.3237
106 K B -1.1200
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