Project name: 272

Status: done

Started: 2025-07-21 09:47:40
Chain sequence(s) A: QLQLVQSGAEVKKPGASVRVSCKASGYKFTDFGMSWVRQAPGQGLEWMGWISGYNDKTGYFGVSGYNGKTKYAQKFQGRVTMTTDTSTGTAYMELKSLRSDDTAVYYCARDTVVVVVDATAGALTGYYYGMDVWGQGTTVTVSS
B: DIVLMQSPGTLSLSPGETTTLSCRASQSLGNSYLAWYQQKPGQAPRLLIYDASTRATGIPDRFSGSGSGTDFTLTISRLEPEDFAVYHCQHYGSSPPYTFGQGTKLEIK
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                                          (00:02:12)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:14)
Show buried residues

Minimal score value
-3.3114
Maximal score value
1.908
Average score
-0.5871
Total score value
-148.534

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 -0.9458
2 L A -0.0077
3 Q A -0.5337
4 L A 0.0000
5 V A 0.0824
6 Q A 0.0000
7 S A -0.7090
8 G A -0.6514
9 A A -0.0796
10 E A -0.2173
11 V A 0.8452
12 K A -0.9746
13 K A -2.1967
14 P A -2.4684
15 G A -1.8866
16 A A -1.4456
17 S A -2.0622
18 V A 0.0000
19 R A -2.4814
20 V A 0.0000
21 S A -0.7230
22 C A 0.0000
23 K A -1.0356
24 A A -0.7267
25 S A -0.7398
26 G A -0.7494
27 Y A -0.9407
28 K A -1.8175
29 F A 0.0000
30 T A -1.2348
31 D A -1.2355
32 F A -0.3469
33 G 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 -0.6151
40 A A -0.9889
41 P A -0.8375
42 G A -1.2235
43 Q A -1.8774
44 G A -1.3440
45 L A 0.0000
46 E A -0.7809
47 W A 0.0000
48 M A 0.0000
49 G A 0.0000
50 W A 0.0000
51 I A 0.0000
52 S A 0.0000
53 G A 0.0000
54 Y A -1.0990
55 N A -1.3519
56 D A -1.3404
57 K A -1.8883
58 T A -0.6910
59 G A -0.4206
60 Y A 0.9574
61 F A 0.8958
62 G A -0.1846
63 V A -0.5294
64 S A -1.1392
65 G A -1.2050
66 Y A -1.1456
67 N A -1.7088
68 G A -1.5938
69 K A -2.2129
70 T A -1.3585
71 K A -1.3856
72 Y A -1.2415
73 A A 0.0000
74 Q A -2.8228
75 K A -2.7111
76 F A 0.0000
77 Q A -2.5126
78 G A -1.8197
79 R A -1.9362
80 V A 0.0000
81 T A -1.1207
82 M A 0.0000
83 T A -0.5303
84 T A -0.5857
85 D A -1.0216
86 T A -0.8143
87 S A -0.4950
88 T A -0.5985
89 G A 0.0000
90 T A 0.0000
91 A A 0.0000
92 Y A -0.7519
93 M A 0.0000
94 E A -2.0136
95 L A 0.0000
96 K A -2.5918
97 S A -1.8933
98 L A 0.0000
99 R A -3.3114
100 S A -2.4662
101 D A -2.5352
102 D A 0.0000
103 T A -0.9169
104 A A 0.0000
105 V A 0.1153
106 Y A 0.0000
107 Y A 0.0000
108 C A 0.0000
109 A A 0.0000
110 R A 0.0000
111 D A 0.0000
112 T A 0.0000
113 V A 0.0000
114 V A 1.2962
115 V A 1.3208
116 V A 1.9080
117 V A 1.8453
118 D A -0.0211
119 A A -0.0300
120 T A -0.1219
121 A A 0.2663
122 G A 0.4604
123 A A 0.5928
124 L A 1.1289
125 T A 0.7623
126 G A 0.7685
127 Y A 1.1384
128 Y A 0.7381
129 Y A 0.5640
130 G A 0.0000
131 M A 0.0000
132 D A -0.6094
133 V A -0.2666
134 W A -0.4990
135 G A 0.0000
136 Q A -1.3249
137 G A -0.6749
138 T A 0.0000
139 T A -0.0114
140 V A 0.0000
141 T A -0.3621
142 V A 0.0000
143 S A -1.2051
144 S A -0.9807
1 D B -1.6764
2 I B 0.0000
3 V B 0.8371
4 L B 0.0000
5 M B 0.0068
6 Q B 0.0000
7 S B -0.6575
8 P B -0.4734
9 G B -0.8868
10 T B -0.7228
11 L B -0.2793
12 S B -0.3198
13 L B -0.2058
14 S B -0.7899
15 P B -1.4284
16 G B -1.9803
17 E B -1.7510
18 T B -1.2959
19 T B 0.0000
20 T B -0.1123
21 L B 0.0000
22 S B -0.6875
23 C B 0.0000
24 R B -1.6113
25 A B 0.0000
26 S B -0.8501
27 Q B -1.7174
28 S B -1.5356
29 L B 0.0000
30 G B -1.3691
31 N B -1.6219
32 S B -1.1560
33 Y B -0.4751
34 L B 0.0000
35 A B 0.0000
36 W B 0.0000
37 Y B 0.0000
38 Q B 0.0000
39 Q B 0.0000
40 K B -1.5363
41 P B -1.0499
42 G B -1.4314
43 Q B -2.0590
44 A B -1.3099
45 P B 0.0000
46 R B -1.1754
47 L B 0.0000
48 L B 0.0000
49 I B 0.0000
50 Y B -0.2195
51 D B -0.5807
52 A B 0.0000
53 S B -0.7212
54 T B -0.7218
55 R B -1.6239
56 A B 0.0000
57 T B -0.6640
58 G B -0.9152
59 I B 0.0000
60 P B -1.3573
61 D B -2.2492
62 R B -1.7354
63 F B 0.0000
64 S B -1.0188
65 G B -0.5859
66 S B -0.7248
67 G B -1.1301
68 S B -1.3049
69 G B -1.4265
70 T B -1.7189
71 D B -2.0612
72 F B 0.0000
73 T B -0.7439
74 L B 0.0000
75 T B -0.4015
76 I B 0.0000
77 S B -1.7353
78 R B -2.6894
79 L B 0.0000
80 E B -2.3727
81 P B -1.6035
82 E B -2.2680
83 D B 0.0000
84 F B -0.5703
85 A B 0.0000
86 V B -0.3854
87 Y B 0.0000
88 H B 0.0000
89 C B 0.0000
90 Q B 0.0000
91 H B 0.0000
92 Y B 0.0000
93 G B -0.3376
94 S B -0.4973
95 S B -0.6563
96 P B -0.7989
97 P B 0.0000
98 Y B 0.0000
99 T B -0.1767
100 F B 0.0000
101 G B 0.0000
102 Q B -1.3443
103 G B 0.0000
104 T B 0.0000
105 K B -1.1171
106 L B 0.0000
107 E B -0.2672
108 I B 0.6773
109 K B -0.9219
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