Project name: 260

Status: done

Started: 2025-07-21 09:43:19
Chain sequence(s) A: QVQLVESGGGLVKPGGSLRLSCAASGFTFTDYYMSWIRQAPGKGLEWVSYITDDGSTTYYADSVKGRFTISRDNAQNSLYLQMNSLRAEETAVYYCARMRGGLVASAKSPRSSAPHDYYFGMDVWGQGTTVTVSS
B: SYELTQPPSVSVSPGQTARITCSGDALPNQYAYWYQQRSGQAPVLVISKDTERPSGIPERFSGSSSGATVTLTISGVQAEDEADYYCQSADNSATFWVFGGGTRLTVL
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                                          (00:01:35)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:36)
Show buried residues

Minimal score value
-2.5807
Maximal score value
1.4241
Average score
-0.6994
Total score value
-169.956

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 -1.0394
2 V A -0.0395
3 Q A -0.5171
4 L A 0.0000
5 V A 0.8484
6 E A 0.0000
7 S A -0.4435
8 G A -0.9837
9 G A -0.3903
10 G A 0.4349
11 L A 1.0747
12 V A -0.2691
13 K A -1.8132
14 P A -1.8357
15 G A -1.5940
16 G A -1.1506
17 S A -1.4574
18 L A -1.0382
19 R A -2.2875
20 L A 0.0000
21 S A -0.4566
22 C A 0.0000
23 A A -0.0313
24 A A 0.0000
25 S A -0.4331
26 G A -0.5886
27 F A -0.1983
28 T A -0.2633
29 F A 0.0000
30 T A -1.2220
31 D A -1.0453
32 Y A -0.6904
33 Y A -0.5046
34 M A 0.0000
35 S A 0.0000
36 W A 0.0000
37 I A 0.0000
38 R A 0.0000
39 Q A -0.8368
40 A A -1.2355
41 P A -0.9955
42 G A -1.4691
43 K A -2.2852
44 G A -1.5703
45 L A 0.0000
46 E A -1.0647
47 W A 0.0000
48 V A 0.0000
49 S A 0.0000
50 Y A 0.0000
51 I A 0.0000
52 T A -0.9392
53 D A -1.6821
54 D A -2.4082
55 G A -1.5067
56 S A -1.0076
57 T A -0.4946
58 T A 0.1394
59 Y A 0.1525
60 Y A -0.5775
61 A A -1.1482
62 D A -2.3864
63 S A -1.6077
64 V A 0.0000
65 K A -2.5336
66 G A -1.7948
67 R A -1.4862
68 F A 0.0000
69 T A -0.9721
70 I A 0.0000
71 S A -0.5041
72 R A -1.2665
73 D A -1.5977
74 N A -1.7482
75 A A -1.1029
76 Q A -1.7988
77 N A -1.5332
78 S A 0.0000
79 L A 0.0000
80 Y A -0.6633
81 L A 0.0000
82 Q A -1.6786
83 M A 0.0000
84 N A -1.8596
85 S A -1.4367
86 L A 0.0000
87 R A -2.4200
88 A A -1.8729
89 E A -2.2366
90 E A 0.0000
91 T A -0.6391
92 A A 0.0000
93 V A 0.1513
94 Y A 0.0000
95 Y A 0.0000
96 C A 0.0000
97 A A 0.0000
98 R A 0.0000
99 M A 0.0000
100 R A -0.6215
101 G A 0.0000
102 G A 0.0000
103 L A 0.0000
104 V A -0.1653
105 A A 0.0000
106 S A 0.0000
107 A A -1.1112
108 K A -1.2713
109 S A -1.2222
110 P A -1.5511
111 R A -2.2536
112 S A -1.4611
113 S A -1.0808
114 A A -1.1452
115 P A -1.4662
116 H A -2.0751
117 D A -1.9897
118 Y A -0.6783
119 Y A 0.0000
120 F A -0.4660
121 G A 0.0000
122 M A 0.0000
123 D A -0.4191
124 V A -0.0495
125 W A -0.0755
126 G A 0.0000
127 Q A -1.1427
128 G A 0.0000
129 T A -0.1628
130 T A 0.0151
131 V A 0.0000
132 T A -0.1217
133 V A 0.0000
134 S A -0.9457
135 S A -0.7154
1 S B -0.8188
2 Y B -1.1963
3 E B -2.1480
4 L B 0.0000
5 T B -0.7972
6 Q B -0.8084
7 P B -0.5925
8 P B -0.9407
9 S B -0.9544
10 V B -0.6936
11 S B -0.2608
12 V B -0.2674
13 S B -0.1080
14 P B -0.9075
15 G B -1.4052
16 Q B -1.6567
17 T B -1.4123
18 A B 0.0000
19 R B -1.8624
20 I B 0.0000
21 T B -0.6118
22 C B 0.0000
23 S B -0.8875
24 G B 0.0000
25 D B -2.5037
26 A B 0.0000
27 L B 0.0000
28 P B -1.4612
29 N B -1.9706
30 Q B 0.0000
31 Y B -0.1794
32 A B 0.0000
33 Y B 0.0000
34 W B 0.0000
35 Y B 0.0000
36 Q B 0.0000
37 Q B 0.0000
38 R B -2.1912
39 S B -1.4445
40 G B -1.3842
41 Q B -1.6732
42 A B -0.8824
43 P B 0.0000
44 V B 0.2155
45 L B 0.0000
46 V B 0.0000
47 I B 0.0000
48 S B 0.0000
49 K B -0.8080
50 D B 0.0000
51 T B -1.3168
52 E B -2.3601
53 R B -2.2143
54 P B -1.3059
55 S B -0.9825
56 G B -0.8451
57 I B -0.7510
58 P B -1.2991
59 E B -2.2465
60 R B -1.4832
61 F B 0.0000
62 S B -1.3527
63 G B -0.9985
64 S B -0.6207
65 S B -0.4594
66 S B -0.5774
67 G B -1.0599
68 A B -1.0767
69 T B -0.6359
70 V B 0.0000
71 T B -0.6729
72 L B 0.0000
73 T B -0.9481
74 I B 0.0000
75 S B -1.3848
76 G B -1.1613
77 V B 0.0000
78 Q B -1.9514
79 A B -1.4005
80 E B -2.5807
81 D B 0.0000
82 E B -2.4916
83 A B 0.0000
84 D B -2.0377
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 A B 0.0000
91 D B -1.5327
92 N B -1.8673
93 S B -0.7937
94 A B -0.3141
95 T B 0.0511
96 F B 0.1634
97 W B 0.0000
98 V B -0.3381
99 F B 0.0000
100 G B 0.0000
101 G B -1.4602
102 G B -1.2600
103 T B 0.0000
104 R B -2.4456
105 L B 0.0000
106 T B -0.4941
107 V B -0.2341
108 L B 1.4241
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