Project name: 277

Status: done

Started: 2025-07-21 09:49:45
Chain sequence(s) A: EVQLVESGGGLVKPGGSLRLSCAASGFTFSNAWMSWVRQAPGKGLEWVGRIKSKTDGGTTDYAAPVKGRFTISRDDSKNTLYLQMNSLKTEDTAVYYCTTDLPTTPDGPGTPDEYYYDSSGYYKPYYYGMDVWGQGTTVTVSS
B: EIVMTQSPATLSVSPGERATLSCRASQSVSSNLAWYQQKPGQAPRLLIYGASTRATGIPARFSGSGSGTEFTLTISSLQSEDFAVYYCQQYNNWSYTFGQGTKLEIK
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                                          (00:01:59)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:00)
Show buried residues

Minimal score value
-2.8114
Maximal score value
2.204
Average score
-0.575
Total score value
-143.7531

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 E A -1.9899
2 V A -1.0141
3 Q A -1.0503
4 L A 0.0000
5 V A 0.2897
6 E A 0.0000
7 S A -0.6327
8 G A -1.0105
9 G A -0.4357
10 G A 0.2293
11 L A 1.0862
12 V A -0.2740
13 K A -1.8187
14 P A -1.7744
15 G A -1.5084
16 G A -1.0525
17 S A -1.3516
18 L A -0.9610
19 R A -2.2491
20 L A 0.0000
21 S A -0.5912
22 C A 0.0000
23 A A -0.2855
24 A A 0.0000
25 S A -1.0246
26 G A -1.1672
27 F A -0.8922
28 T A -0.7020
29 F A 0.0000
30 S A -1.1614
31 N A -1.1349
32 A A 0.0000
33 W A 0.0000
34 M A 0.0000
35 S A 0.0000
36 W A 0.0000
37 V A 0.0000
38 R A 0.0000
39 Q A -0.7941
40 A A -1.1948
41 P A -1.0006
42 G A -1.4671
43 K A -2.3786
44 G A -1.5646
45 L A 0.0000
46 E A -0.9840
47 W A 0.0000
48 V A 0.0000
49 G A 0.0000
50 R A -0.4382
51 I A 0.0000
52 K A -1.2710
53 S A 0.0000
54 K A -2.4170
55 T A -1.4640
56 D A -1.6031
57 G A -1.5204
58 G A -1.5083
59 T A -0.9024
60 T A -0.5059
61 D A -0.6373
62 Y A 0.0000
63 A A 0.0000
64 A A -0.9431
65 P A -1.0064
66 V A 0.0000
67 K A -2.1361
68 G A -1.5403
69 R A -1.3858
70 F A 0.0000
71 T A -1.0321
72 I A 0.0000
73 S A -0.4850
74 R A -1.1434
75 D A -1.6068
76 D A -1.7454
77 S A -1.5089
78 K A -2.3313
79 N A -1.6869
80 T A -1.0497
81 L A 0.0000
82 Y A -0.6649
83 L A 0.0000
84 Q A -1.5278
85 M A 0.0000
86 N A -1.3875
87 S A -1.2588
88 L A 0.0000
89 K A -2.3369
90 T A -1.8966
91 E A -2.2941
92 D A 0.0000
93 T A -0.6477
94 A A 0.0000
95 V A 0.1291
96 Y A 0.0000
97 Y A 0.0000
98 C A 0.0000
99 T A 0.0000
100 T A 0.0000
101 D A 0.0000
102 L A 0.0000
103 P A -0.2535
104 T A -0.5608
105 T A -0.9098
106 P A -0.9382
107 D A -1.6000
108 G A 0.0000
109 P A 0.0000
110 G A 0.0000
111 T A -1.1600
112 P A -1.4522
113 D A -2.4453
114 E A -2.0275
115 Y A 0.4514
116 Y A 1.5827
117 Y A 2.2040
118 D A 0.8040
119 S A 0.1431
120 S A 0.1110
121 G A 0.6281
122 Y A 1.9765
123 Y A 2.1955
124 K A 0.7137
125 P A 0.0000
126 Y A -0.0629
127 Y A -0.1588
128 Y A 0.0504
129 G A 0.0000
130 M A 0.0000
131 D A -0.5254
132 V A -0.3518
133 W A -0.4715
134 G A 0.0000
135 Q A -1.3771
136 G A -0.6613
137 T A -0.2976
138 T A 0.0829
139 V A 0.0000
140 T A -0.1149
141 V A 0.0000
142 S A -0.9228
143 S A -0.7085
1 E B -1.3646
2 I B 0.0000
3 V B 0.8030
4 M B 0.0000
5 T B -0.5482
6 Q B 0.0000
7 S B -0.6244
8 P B -0.3032
9 A B -0.4488
10 T B -0.4577
11 L B -0.1310
12 S B -0.2997
13 V B 0.0000
14 S B -1.1500
15 P B -1.5025
16 G B -1.9412
17 E B -2.7428
18 R B -2.8114
19 A B 0.0000
20 T B -0.5086
21 L B 0.0000
22 S B -0.7990
23 C B 0.0000
24 R B -1.9205
25 A B 0.0000
26 S B -0.7939
27 Q B -1.3012
28 S B -1.3283
29 V B 0.0000
30 S B -0.8856
31 S B -0.7952
32 N B -0.5122
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 -1.5014
40 P B -1.0432
41 G B -1.4824
42 Q B -2.0894
43 A B -1.3696
44 P B 0.0000
45 R B -1.2049
46 L B 0.0000
47 L B 0.0000
48 I B 0.0000
49 Y B -0.1284
50 G B -0.2776
51 A B 0.0000
52 S B -0.6761
53 T B -0.5867
54 R B -1.0869
55 A B -0.7815
56 T B -0.6106
57 G B -0.6610
58 I B 0.0000
59 P B -0.4469
60 A B -0.4137
61 R B -0.7621
62 F B 0.0000
63 S B -0.5660
64 G B -0.5277
65 S B -0.8401
66 G B -1.3332
67 S B -1.2899
68 G B -1.2905
69 T B -1.8366
70 E B -2.6880
71 F B 0.0000
72 T B -0.8545
73 L B 0.0000
74 T B -0.6133
75 I B 0.0000
76 S B -1.6363
77 S B -1.8268
78 L B 0.0000
79 Q B -1.6475
80 S B -1.1081
81 E B -1.9012
82 D B 0.0000
83 F B -0.3767
84 A B 0.0000
85 V B -0.3733
86 Y B 0.0000
87 Y B 0.0000
88 C B 0.0000
89 Q B 0.0000
90 Q B 0.0000
91 Y B 0.0000
92 N B -0.6706
93 N B -0.6603
94 W B 0.3393
95 S B -0.0777
96 Y B 0.0000
97 T B -0.0753
98 F B 0.0293
99 G B 0.0000
100 Q B -1.4382
101 G B 0.0000
102 T B 0.0000
103 K B -1.0023
104 L B 0.0000
105 E B -0.1862
106 I B 0.7605
107 K B -0.9014
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