Project name: 038

Status: done

Started: 2025-07-21 10:04:27
Chain sequence(s) A: QVQLVQSGAEVKKPGASVKVSCKASGYTFTSYDINWVRQATGQGLEWMGWMNPNSGNTGYAQKFQGRVTMTRNTSISTAYMELSSLRSEDTAVYYCARGIELYYDFWSGYSNRADLYYYYGMDVWGQGTTVTVSS
B: DIVMTQSPDSLAVSLGERATINCKSSQSVLYSSNNKNYLAWYQQKPGQPPKLLIYWASTRESGVPDRFSGSGSGTDFTLTISSLQAEDVAVYYCQQYYSTPLTFGGGTKVEIK
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                                          (00:02:31)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:32)
Show buried residues

Minimal score value
-3.088
Maximal score value
1.0517
Average score
-0.6195
Total score value
-153.6288

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 -1.2721
2 V A -0.5041
3 Q A -0.9721
4 L A 0.0000
5 V A 0.5775
6 Q A 0.0000
7 S A -0.5470
8 G A -0.6029
9 A A -0.0984
10 E A -0.2289
11 V A 0.8276
12 K A -0.9789
13 K A -2.1834
14 P A -2.2813
15 G A -1.5466
16 A A -1.2175
17 S A -1.3675
18 V A 0.0000
19 K A -2.1156
20 V A 0.0000
21 S A -0.6112
22 C A 0.0000
23 K A -0.4855
24 A A 0.0000
25 S A -0.4726
26 G A -0.7435
27 Y A -0.2160
28 T A -0.0136
29 F A 0.0000
30 T A -0.5658
31 S A -0.1792
32 Y A -0.1705
33 D A 0.0000
34 I A 0.0000
35 N A 0.0000
36 W A 0.0000
37 V A 0.0000
38 R A -0.4336
39 Q A -0.6655
40 A A -0.9329
41 T A -0.6850
42 G A -1.1373
43 Q A -1.7040
44 G A -1.1038
45 L A 0.0000
46 E A -0.6542
47 W A 0.0000
48 M A 0.0000
49 G A 0.0000
50 W A 0.0000
51 M A 0.0000
52 N A 0.0000
53 P A 0.0000
54 N A -1.4660
55 S A -1.2003
56 G A -1.2979
57 N A -1.6266
58 T A -0.7235
59 G A -0.5727
60 Y A -0.6079
61 A A 0.0000
62 Q A -1.9729
63 K A -2.4732
64 F A 0.0000
65 Q A -2.2292
66 G A -1.5861
67 R A -1.4129
68 V A 0.0000
69 T A -0.8022
70 M A 0.0000
71 T A -0.7119
72 R A -0.9741
73 N A -0.8474
74 T A -0.4121
75 S A 0.1110
76 I A 0.7214
77 S A -0.0507
78 T A 0.0000
79 A A 0.0000
80 Y A -0.8268
81 M A 0.0000
82 E A -1.5721
83 L A 0.0000
84 S A -1.1458
85 S A -1.1984
86 L A 0.0000
87 R A -3.0880
88 S A -2.4163
89 E A -2.5359
90 D A 0.0000
91 T A -0.8960
92 A A 0.0000
93 V A 0.1167
94 Y A 0.0000
95 Y A 0.0000
96 C A 0.0000
97 A A 0.0000
98 R A -0.3124
99 G A 0.0000
100 I A 0.0000
101 E A 0.0881
102 L A 0.0000
103 Y A 0.9197
104 Y A 0.7065
105 D A -0.5992
106 F A 0.5755
107 W A 1.0517
108 S A 0.1833
109 G A -0.2028
110 Y A -0.4926
111 S A -0.8726
112 N A -1.6001
113 R A -1.7537
114 A A 0.0000
115 D A 0.0000
116 L A 0.0174
117 Y A 0.0000
118 Y A 0.6868
119 Y A 0.0000
120 Y A 0.2616
121 G A 0.0000
122 M A 0.0000
123 D A -0.6701
124 V A -0.4735
125 W A -0.4950
126 G A 0.0000
127 Q A -1.2016
128 G A -0.6142
129 T A 0.0000
130 T A -0.0287
131 V A 0.0000
132 T A -0.3670
133 V A 0.0000
134 S A -1.1871
135 S A -0.9792
1 D B -1.5356
2 I B 0.0000
3 V B 0.7776
4 M B 0.0000
5 T B -0.7258
6 Q B -1.4258
7 S B -1.4618
8 P B -1.4544
9 D B -2.3522
10 S B -1.6874
11 L B -1.0040
12 A B -0.7050
13 V B -0.9859
14 S B -0.8458
15 L B 0.0615
16 G B -1.1014
17 E B -2.5038
18 R B -2.7857
19 A B 0.0000
20 T B -0.6554
21 I B 0.0000
22 N B -1.5470
23 C B 0.0000
24 K B -1.9836
25 S B 0.0000
26 S B -0.9072
27 Q B -1.4889
28 S B -0.9283
29 V B 0.0000
30 L B -0.4036
31 Y B -0.5709
32 S B -0.9404
33 S B -1.0401
34 N B -1.6484
35 N B -1.9869
36 K B -1.5021
37 N B -0.6854
38 Y B 0.0000
39 L B 0.0000
40 A B 0.0000
41 W B 0.0000
42 Y B 0.0000
43 Q B 0.0000
44 Q B 0.0000
45 K B -1.7518
46 P B -1.1146
47 G B -1.5012
48 Q B -2.1664
49 P B -1.4768
50 P B 0.0000
51 K B -1.6920
52 L B 0.0000
53 L B 0.0000
54 I B 0.0000
55 Y B -0.1801
56 W B -0.3035
57 A B 0.0000
58 S B -0.6901
59 T B -0.5542
60 R B -1.4410
61 E B -1.2675
62 S B -0.8490
63 G B -1.0263
64 V B 0.0000
65 P B -1.4041
66 D B -2.2882
67 R B -1.6138
68 F B 0.0000
69 S B -0.9809
70 G B -0.5703
71 S B -0.7866
72 G B -1.2111
73 S B -1.1395
74 G B -1.0718
75 T B -1.4981
76 D B -2.2085
77 F B 0.0000
78 T B -0.9935
79 L B 0.0000
80 T B -0.7115
81 I B 0.0000
82 S B -1.8871
83 S B -1.7233
84 L B 0.0000
85 Q B -0.9988
86 A B -0.7304
87 E B -1.8136
88 D B 0.0000
89 V B -0.8665
90 A B 0.0000
91 V B -0.9175
92 Y B 0.0000
93 Y B 0.0000
94 C B 0.0000
95 Q B 0.0000
96 Q B 0.0000
97 Y B 0.0000
98 Y B -0.1092
99 S B -0.8035
100 T B -0.8046
101 P B -0.5983
102 L B 0.0000
103 T B 0.0587
104 F B 0.2351
105 G B 0.0000
106 G B -1.0190
107 G B -1.1781
108 T B 0.0000
109 K B -1.8813
110 V B 0.0000
111 E B -1.5411
112 I B -0.7902
113 K B -1.4016
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