Project name: 252

Status: done

Started: 2025-07-21 09:40:19
Chain sequence(s) A: QVHLVQSGPEVTNPGASVKVSCKTSGYTFTSYSITWVRQTPGQGPEWVGSINLHNFQTDYAQKFQGRVTVTADTSTTTAYMDLSSLTSDDTAIYFCARDWAEDGYKSLDQWGRGTLVTVST
B: IVMTQSPDSLSVSLGARATITCKSSQSLLYTANNRHYLSWYLHKPGQAPKLLLFWATSRESGVSERISGSAAGTDFTLTITNVQIDDVGVYFCQQYFSAPRTFGQGTRLEIK
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
-2.9685
Maximal score value
1.6488
Average score
-0.6142
Total score value
-143.1079

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 -1.4068
2 V A -0.8184
3 H A -1.3121
4 L A 0.0000
5 V A 0.5009
6 Q A -0.3209
7 S A -0.6658
8 G A -0.5025
9 P A -0.1116
10 E A -0.2304
11 V A 1.1295
12 T A -0.1916
13 N A -1.2632
14 P A -1.3758
15 G A -1.0367
16 A A -0.8317
17 S A -1.1423
18 V A 0.0000
19 K A -2.0595
20 V A 0.0000
21 S A -0.6048
22 C A 0.0000
23 K A -1.1109
24 T A 0.0000
25 S A -0.7926
26 G A -0.8260
27 Y A -0.3015
28 T A -0.0775
29 F A 0.0000
30 T A -0.5213
31 S A -0.5438
32 Y A -0.3091
33 S A -0.4666
34 I A 0.0000
35 T A 0.0000
36 W A 0.0000
37 V A 0.0000
38 R A 0.0000
39 Q A -0.5403
40 T A -0.8735
41 P A -0.8658
42 G A -1.3762
43 Q A -1.9035
44 G A -1.4163
45 P A 0.0000
46 E A -0.8681
47 W A 0.0000
48 V A 0.0000
49 G A 0.0000
50 S A -0.5962
51 I A 0.0000
52 N A -1.2438
53 L A 0.0000
54 H A -1.6306
55 N A -1.7178
56 F A -0.4990
57 Q A -1.6509
58 T A -1.2562
59 D A -1.9487
60 Y A -1.5476
61 A A 0.0000
62 Q A -2.6855
63 K A -2.7541
64 F A 0.0000
65 Q A -2.6165
66 G A -1.6634
67 R A -1.5169
68 V A 0.0000
69 T A -0.9146
70 V A 0.0000
71 T A -0.1888
72 A A -0.3429
73 D A -0.9281
74 T A -0.5194
75 S A -0.4763
76 T A -0.6607
77 T A -0.7388
78 T A 0.0000
79 A A 0.0000
80 Y A -0.6304
81 M A 0.0000
82 D A -1.3563
83 L A 0.0000
84 S A -0.9636
85 S A -0.8315
86 L A 0.0000
87 T A -1.2261
88 S A -1.3736
89 D A -1.9028
90 D A 0.0000
91 T A -0.3180
92 A A 0.0000
93 I A 0.5856
94 Y A 0.0000
95 F A 0.0000
96 C A 0.0000
97 A A 0.0000
98 R A 0.0000
99 D A 0.0000
100 W A -0.4751
101 A A -1.4567
102 E A -2.8382
103 D A -2.9685
104 G A -1.7634
105 Y A 0.0000
106 K A -1.4239
107 S A 0.0000
108 L A 0.0000
109 D A -0.7078
110 Q A -1.0124
111 W A 0.0000
112 G A 0.0000
113 R A -2.1288
114 G A -0.7295
115 T A 0.0000
116 L A 0.8508
117 V A 0.0000
118 T A 0.2028
119 V A 0.0000
120 S A -0.3234
121 T A -0.5446
1 I B 1.0645
2 V B 1.6488
3 M B 0.0000
4 T B -0.2087
5 Q B 0.0000
6 S B -1.2176
7 P B -1.4484
8 D B -2.5292
9 S B -2.0028
10 L B -1.2927
11 S B -1.1487
12 V B 0.0000
13 S B -0.5349
14 L B 0.4739
15 G B -0.5975
16 A B -1.1367
17 R B -2.2072
18 A B 0.0000
19 T B -0.5098
20 I B 0.0000
21 T B -0.5210
22 C B 0.0000
23 K B -1.1149
24 S B 0.0000
25 S B -0.1869
26 Q B -0.7223
27 S B -0.5014
28 L B 0.0000
29 L B -0.0136
30 Y B 0.3107
31 T B -0.3462
32 A B -0.3957
33 N B -1.3694
34 N B -1.6643
35 R B -1.4098
36 H B -0.5842
37 Y B 0.0000
38 L B 0.0000
39 S B 0.0000
40 W B 0.0000
41 Y B 0.0000
42 L B 0.0000
43 H B -1.1648
44 K B -1.5951
45 P B -1.1390
46 G B -1.5731
47 Q B -2.0751
48 A B -1.8727
49 P B 0.0000
50 K B -1.4700
51 L B 0.0000
52 L B 0.0000
53 L B 0.0000
54 F B -0.3394
55 W B 0.0000
56 A B 0.0000
57 T B -0.5462
58 S B -0.5784
59 R B -1.3892
60 E B -1.0697
61 S B -0.7907
62 G B -0.9469
63 V B -1.0466
64 S B -1.2880
65 E B -2.1570
66 R B -1.7552
67 I B 0.0000
68 S B -0.8411
69 G B -0.3737
70 S B -0.4687
71 A B -0.6911
72 A B -0.6894
73 G B -0.9510
74 T B -1.2059
75 D B -1.6364
76 F B 0.0000
77 T B -0.5023
78 L B 0.0000
79 T B -0.5676
80 I B 0.0000
81 T B -1.7430
82 N B -1.8388
83 V B 0.0000
84 Q B -0.5309
85 I B 1.0166
86 D B -0.9262
87 D B 0.0000
88 V B -0.4566
89 G B 0.0000
90 V B -1.0566
91 Y B 0.0000
92 F B 0.0000
93 C B 0.0000
94 Q B 0.0000
95 Q B 0.0000
96 Y B 0.0000
97 F B 0.3173
98 S B 0.1407
99 A B -0.2086
100 P B -0.5472
101 R B 0.0735
102 T B 0.2519
103 F B 0.0000
104 G B 0.0000
105 Q B -1.9736
106 G B -1.6318
107 T B 0.0000
108 R B -2.6577
109 L B 0.0000
110 E B -1.6064
111 I B -0.6923
112 K B -1.6790
Download PDB file
View in 3Dmol