Project name: 296

Status: done

Started: 2025-07-21 09:55:46
Chain sequence(s) A: EVQLVESGGGLVQPGGSLRLSCAASGFTFSSYWMSWVRQAPGKGLEWVANIKQDGSEKYYVDSVKGRFTISRDNAKNSLYLQMNSLRAEDTAVYYCARADRLAGPEGSVLRYFDWLLKGDAFDIWGQGTMVTVSS
B: DIQMTQSPSSLSASVGDRVTITCRASQSISSYLNWYQQKPGKAPKLLIYAASSLQSGVPSRFSGSGSGTDFTLTISSLQPEDFATYYCQQSYSTPPTFGGGTKVEIK
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]                                                (00:00:01)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:01)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with all chain(s) selected           (00:00:01)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:01)
[INFO]       FoldX:    Starting FoldX energy minimization                                          (00:00:02)
[INFO]       Analysis: Starting Aggrescan4D on folded.pdb                                          (00:02:33)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:34)
Show buried residues

Minimal score value
-2.8112
Maximal score value
2.8406
Average score
-0.546
Total score value
-132.1272

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 -2.1287
2 V A -1.2531
3 Q A -1.3229
4 L A 0.0000
5 V A 0.8653
6 E A 0.0000
7 S A -0.3879
8 G A -0.9220
9 G A -0.2119
10 G A 0.3961
11 L A 1.3066
12 V A -0.0063
13 Q A -1.3191
14 P A -1.6970
15 G A -1.5155
16 G A 0.0000
17 S A -1.5031
18 L A -1.1222
19 R A -2.3913
20 L A 0.0000
21 S A -0.5087
22 C A 0.0000
23 A A -0.1691
24 A A 0.0000
25 S A -0.9313
26 G A -1.2623
27 F A -0.5216
28 T A -0.2088
29 F A 0.0000
30 S A -1.1210
31 S A -0.4406
32 Y A -0.2797
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 -0.7437
40 A A -1.1447
41 P A -0.9518
42 G A -1.4709
43 K A -2.2676
44 G A -1.4080
45 L A 0.0000
46 E A -0.8534
47 W A 0.0000
48 V A 0.0000
49 A A 0.0000
50 N A 0.0000
51 I A 0.0000
52 K A -1.3682
53 Q A -1.4050
54 D A -2.3890
55 G A -1.8412
56 S A -1.4305
57 E A -1.4834
58 K A -0.9171
59 Y A -0.2654
60 Y A -0.6369
61 V A -1.1815
62 D A -2.2595
63 S A -1.6934
64 V A 0.0000
65 K A -2.4323
66 G A -1.8092
67 R A -1.5421
68 F A 0.0000
69 T A -1.0873
70 I A 0.0000
71 S A -0.9374
72 R A -1.4441
73 D A -2.0212
74 N A -2.0707
75 A A -1.4778
76 K A -2.4128
77 N A -1.9116
78 S A 0.0000
79 L A 0.0000
80 Y A 0.0000
81 L A 0.0000
82 Q A -1.7543
83 M A 0.0000
84 N A -2.1052
85 S A -1.5020
86 L A 0.0000
87 R A -2.3464
88 A A -1.7786
89 E A -2.2674
90 D A 0.0000
91 T A -0.5332
92 A A 0.0000
93 V A 0.3491
94 Y A 0.0000
95 Y A 0.0000
96 C A 0.0000
97 A A 0.0000
98 R A 0.0000
99 A A 0.0000
100 D A 0.0000
101 R A -0.3003
102 L A -0.1358
103 A A -0.6871
104 G A -0.8819
105 P A -0.6048
106 E A -1.7958
107 G A -0.4092
108 S A 0.8094
109 V A 2.4555
110 L A 2.6464
111 R A 1.0967
112 Y A 1.8156
113 F A 2.8406
114 D A 0.9884
115 W A 1.0680
116 L A 1.3169
117 L A 1.0283
118 K A 0.2550
119 G A 0.2637
120 D A 0.0000
121 A A 0.0000
122 F A 0.0000
123 D A -0.4031
124 I A -0.0913
125 W A -0.4260
126 G A 0.0000
127 Q A -1.3278
128 G A 0.0000
129 T A 0.0958
130 M A 0.6548
131 V A 0.0000
132 T A 0.0745
133 V A 0.0000
134 S A -0.7518
135 S A -0.9443
1 D B -2.1941
2 I B -1.5316
3 Q B -2.1457
4 M B 0.0000
5 T B -1.3487
6 Q B -0.9325
7 S B -0.8912
8 P B -0.6205
9 S B -0.7984
10 S B -0.9870
11 L B -0.7463
12 S B -1.0897
13 A B -0.8550
14 S B -0.6977
15 V B 0.1857
16 G B -0.6980
17 D B -1.5620
18 R B -2.2596
19 V B 0.0000
20 T B -0.6416
21 I B 0.0000
22 T B -0.8964
23 C B 0.0000
24 R B -2.8112
25 A B 0.0000
26 S B -1.9412
27 Q B -2.0430
28 S B -1.1079
29 I B 0.0000
30 S B -0.3158
31 S B -0.0388
32 Y B 0.7139
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 0.0000
39 K B -1.8173
40 P B -1.2218
41 G B -1.7231
42 K B -2.6498
43 A B -1.6773
44 P B 0.0000
45 K B -1.7529
46 L B 0.0000
47 L B 0.0000
48 I B 0.0000
49 Y B 0.2752
50 A B 0.3690
51 A B 0.0000
52 S B -0.2345
53 S B 0.1094
54 L B 0.3033
55 Q B -0.3056
56 S B -0.3902
57 G B -0.4936
58 V B -0.3593
59 P B -0.3190
60 S B -0.4006
61 R B -0.6980
62 F B 0.0000
63 S B -0.2976
64 G B -0.2733
65 S B -0.6860
66 G B -1.0715
67 S B -0.9771
68 G B -1.1248
69 T B -1.7293
70 D B -2.1205
71 F B 0.0000
72 T B -0.7832
73 L B 0.0000
74 T B -0.6194
75 I B 0.0000
76 S B -1.3118
77 S B -1.0718
78 L B 0.0000
79 Q B -0.6934
80 P B -1.0445
81 E B -1.6739
82 D B 0.0000
83 F B -0.6650
84 A B 0.0000
85 T B 0.0000
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 S B 0.5529
92 Y B 0.9195
93 S B 0.0956
94 T B -0.1038
95 P B -0.4500
96 P B 0.0000
97 T B -0.5390
98 F B -0.3101
99 G B 0.0000
100 G B -1.2003
101 G B -0.9685
102 T B 0.0000
103 K B -1.5930
104 V B 0.0000
105 E B -1.6077
106 I B -1.1066
107 K B -1.6313
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