Project name: 037

Status: done

Started: 2025-07-21 10:04:12
Chain sequence(s) A: QVHLEQSGAEVKKPGSSVKVSCKAFGGNFNRYTIHWVRQAPGHGLEWMGRIIPVSGVTKYAQKFQDRVTFTADKSTTTVYMDLSSLRSEDTAVYYCATVVSGVGVGEIRWGLPPDKVPQYDAMDVWGQGTTVIVSS
B: DIQMTQSPSSLSASVGDRITITCRASQSISAYLNWYQQKPGKAPKLLIYGASNLQSGVPSRFSGSGSGTDFTLTISSLQPEDFATYSCQQTRTTPFTFGGGTKVDI
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                                          (00:02:20)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:21)
Show buried residues

Minimal score value
-3.1387
Maximal score value
1.2917
Average score
-0.6453
Total score value
-156.165

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 -1.4625
2 V A 0.0000
3 H A -1.4174
4 L A 0.0000
5 E A -2.0412
6 Q A 0.0000
7 S A -1.1409
8 G A -0.9494
9 A A -0.0166
10 E A -0.1286
11 V A 1.0371
12 K A -0.8057
13 K A -2.0469
14 P A -2.1000
15 G A -1.5250
16 S A -1.2401
17 S A -1.3033
18 V A 0.0000
19 K A -1.9362
20 V A 0.0000
21 S A -0.8433
22 C A 0.0000
23 K A -1.0521
24 A A 0.0000
25 F A -0.5397
26 G A -1.0865
27 G A -1.6232
28 N A -1.9820
29 F A 0.0000
30 N A -1.6670
31 R A -2.0242
32 Y A 0.0000
33 T A 0.0000
34 I A 0.0000
35 H A 0.0000
36 W A 0.0000
37 V A 0.0000
38 R A 0.0000
39 Q A -0.5784
40 A A -0.8848
41 P A -0.9658
42 G A -1.1342
43 H A -1.5718
44 G A -1.0643
45 L A 0.0000
46 E A -0.6075
47 W A 0.0000
48 M A 0.0000
49 G A 0.0000
50 R A -0.2141
51 I A 0.0000
52 I A 0.0000
53 P A 0.0000
54 V A -0.0448
55 S A 0.4674
56 G A 0.3420
57 V A 1.2917
58 T A 0.2309
59 K A -0.8365
60 Y A -1.5052
61 A A 0.0000
62 Q A -3.0488
63 K A -2.9352
64 F A 0.0000
65 Q A -3.1387
66 D A -2.9960
67 R A -1.9799
68 V A 0.0000
69 T A -0.9759
70 F A 0.0000
71 T A -0.2128
72 A A -0.8029
73 D A -1.5329
74 K A -1.8953
75 S A -1.1550
76 T A -0.8333
77 T A -1.1567
78 T A 0.0000
79 V A 0.0000
80 Y A -0.4625
81 M A 0.0000
82 D A -1.1169
83 L A 0.0000
84 S A -1.1765
85 S A -1.2237
86 L A 0.0000
87 R A -2.4552
88 S A -2.0281
89 E A -2.2971
90 D A 0.0000
91 T A -0.5452
92 A A 0.0000
93 V A 0.2266
94 Y A 0.0000
95 Y A 0.0000
96 C A 0.0000
97 A A 0.0000
98 T A 0.0000
99 V A 0.0000
100 V A 0.3321
101 S A 0.2047
102 G A 0.1776
103 V A 0.5844
104 G A -0.1153
105 V A 0.1108
106 G A -0.3646
107 E A -0.7304
108 I A 0.0000
109 R A -0.3849
110 W A 0.4470
111 G A 0.4685
112 L A -0.1112
113 P A -0.9209
114 P A -1.7195
115 D A -2.7099
116 K A -2.5162
117 V A -1.2155
118 P A -0.8306
119 Q A 0.0000
120 Y A 0.0480
121 D A 0.0000
122 A A 0.0000
123 M A 0.0000
124 D A -0.5161
125 V A -0.4460
126 W A -0.9495
127 G A 0.0000
128 Q A -2.0314
129 G A -1.1440
130 T A 0.0000
131 T A 0.1601
132 V A 0.0000
133 I A 0.3135
134 V A 0.0000
135 S A -0.8856
136 S A -0.8995
1 D B -2.4300
2 I B 0.0000
3 Q B -2.2837
4 M B 0.0000
5 T B -1.4448
6 Q B -1.0350
7 S B -0.7204
8 P B -0.6672
9 S B -0.9255
10 S B -1.2296
11 L B -0.5709
12 S B -0.3496
13 A B -0.0217
14 S B 0.1424
15 V B 0.7466
16 G B -0.7059
17 D B -1.5674
18 R B -2.2532
19 I B 0.0000
20 T B -0.6267
21 I B 0.0000
22 T B -1.0300
23 C B 0.0000
24 R B -3.1134
25 A B 0.0000
26 S B -2.1156
27 Q B -2.3027
28 S B -1.6378
29 I B 0.0000
30 S B -0.9706
31 A B -0.6625
32 Y B 0.0000
33 L B 0.0000
34 N B 0.0000
35 W B 0.0000
36 Y B 0.0000
37 Q B 0.0000
38 Q B -1.3961
39 K B -1.6545
40 P B -1.1315
41 G B -1.6451
42 K B -2.6243
43 A B -1.6792
44 P B 0.0000
45 K B -1.8885
46 L B 0.0000
47 L B 0.0000
48 I B 0.0000
49 Y B 0.1586
50 G B 0.0000
51 A B 0.0000
52 S B -0.4685
53 N B -0.2641
54 L B 0.1368
55 Q B -0.4009
56 S B -0.4545
57 G B -0.4743
58 V B -0.3391
59 P B -0.3159
60 S B -0.4084
61 R B -0.7076
62 F B 0.0000
63 S B -0.3751
64 G B -0.3625
65 S B -0.8720
66 G B -1.3459
67 S B -1.2601
68 G B -1.3813
69 T B -2.1119
70 D B -2.9217
71 F B 0.0000
72 T B -0.9539
73 L B 0.0000
74 T B -0.6101
75 I B 0.0000
76 S B -1.3325
77 S B -1.1012
78 L B 0.0000
79 Q B -0.4468
80 P B -0.5286
81 E B -1.4307
82 D B 0.0000
83 F B -0.1565
84 A B 0.0000
85 T B -1.0694
86 Y B 0.0000
87 S B 0.0000
88 C B 0.0000
89 Q B 0.0000
90 Q B 0.0000
91 T B 0.0000
92 R B -1.7549
93 T B -1.2467
94 T B -0.9669
95 P B -1.2203
96 F B 0.0000
97 T B -0.8512
98 F B -0.2976
99 G B 0.0000
100 G B -1.1748
101 G B -1.0417
102 T B 0.0000
103 K B -1.9388
104 V B 0.0000
105 D B -0.7079
106 I B 0.9848
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