Project name: 275

Status: done

Started: 2025-07-21 09:49:05
Chain sequence(s) A: EVQLLESGGGLVQPGGSLRLSCAASGFTFSSYAMSWVRQAPGKGLEWVSAISGSGGSTYYADSVKGRFTISRDNSKNTLYLQMNSLRAEDTAVYYCASADTAYCGGDCYTLTRYYDSSGYPTEVDYWGQGTLVTVSS
B: DIQMTQSPSSLSASVGDRVTITCRASQSISSYLNWYQQKPGKAPKLLIYAASSLQSGVPSRFSGSGSGTDFTLTISSLQPEDFATYYCQQSYSTPLRTFGQGTKLEIK
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                                          (00:00:01)
[INFO]       Analysis: Starting Aggrescan4D on folded.pdb                                          (00:01:53)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:54)
Show buried residues

Minimal score value
-2.6853
Maximal score value
2.074
Average score
-0.4963
Total score value
-121.5884

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 -2.0489
2 V A -1.1482
3 Q A -1.1678
4 L A 0.0000
5 L A 0.7682
6 E A 0.0000
7 S A -0.2855
8 G A -0.7961
9 G A 0.0929
10 G A 0.5956
11 L A 1.3211
12 V A 0.0000
13 Q A -1.4113
14 P A -1.6615
15 G A -1.5203
16 G A -1.0859
17 S A -1.5280
18 L A -1.1389
19 R A -2.3489
20 L A 0.0000
21 S A -0.4680
22 C A 0.0000
23 A A -0.2308
24 A A 0.0000
25 S A -1.0310
26 G A -1.1590
27 F A -0.5018
28 T A -0.2752
29 F A 0.0000
30 S A -0.6785
31 S A -0.3749
32 Y A 0.0000
33 A 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 -0.6034
40 A A -1.0191
41 P A -0.8179
42 G A -1.4737
43 K A -2.3760
44 G A -1.6565
45 L A 0.0000
46 E A -1.0998
47 W A 0.0000
48 V A 0.0000
49 S A 0.0000
50 A A 0.0000
51 I A 0.0000
52 S A -0.3870
53 G A -0.5478
54 S A -0.7169
55 G A -0.7756
56 G A -0.7216
57 S A -0.3598
58 T A 0.0082
59 Y A 0.1499
60 Y A -0.6150
61 A A -1.4305
62 D A -2.6182
63 S A -1.7613
64 V A 0.0000
65 K A -2.5309
66 G A -1.8085
67 R A -1.7113
68 F A 0.0000
69 T A -0.9964
70 I A 0.0000
71 S A -0.5110
72 R A -1.0481
73 D A -1.5357
74 N A -1.7251
75 S A -1.5977
76 K A -2.4241
77 N A -1.8753
78 T A -1.0746
79 L A 0.0000
80 Y A -0.6323
81 L A 0.0000
82 Q A -1.7254
83 M A 0.0000
84 N A -2.0943
85 S A -1.4762
86 L A 0.0000
87 R A -2.2982
88 A A -1.7022
89 E A -2.2048
90 D A 0.0000
91 T A -0.3669
92 A A 0.0000
93 V A 0.7786
94 Y A 0.0000
95 Y A 0.0000
96 C A 0.0000
97 A A 0.0000
98 S A 0.0000
99 A A 0.0000
100 D A 0.0000
101 T A 0.7411
102 A A 1.5606
103 Y A 2.0740
104 C A 1.3162
105 G A 0.1403
106 G A -0.3533
107 D A -0.0072
108 C A 1.2459
109 Y A 1.8434
110 T A 1.2412
111 L A 1.3994
112 T A 0.0000
113 R A -0.5387
114 Y A 0.6125
115 Y A 1.0701
116 D A 0.0722
117 S A -0.0820
118 S A -0.0366
119 G A 0.2761
120 Y A 1.0695
121 P A 0.4306
122 T A 0.0434
123 E A -0.1871
124 V A -0.0867
125 D A -0.4300
126 Y A -0.1715
127 W A -0.4671
128 G A 0.0000
129 Q A -1.4097
130 G A -0.2414
131 T A 0.5513
132 L A 1.6307
133 V A 0.0000
134 T A 0.3052
135 V A 0.0000
136 S A -0.7989
137 S A -0.6987
1 D B -2.3286
2 I B -1.5479
3 Q B -2.0536
4 M B 0.0000
5 T B -1.3036
6 Q B 0.0000
7 S B -0.6272
8 P B -0.5781
9 S B -0.8525
10 S B -0.9269
11 L B -0.6794
12 S B -1.0314
13 A B 0.0000
14 S B -0.7655
15 V B 0.1170
16 G B -0.7458
17 D B -1.5943
18 R B -2.2663
19 V B 0.0000
20 T B -0.6023
21 I B 0.0000
22 T B -0.7096
23 C B 0.0000
24 R B -2.3961
25 A B 0.0000
26 S B -1.8975
27 Q B -2.1418
28 S B -1.2008
29 I B 0.0000
30 S B -0.5412
31 S B -0.3500
32 Y B 0.3535
33 L B 0.0000
34 N B 0.0000
35 W B 0.0000
36 Y B 0.0000
37 Q B -1.0305
38 Q B 0.0000
39 K B -1.8126
40 P B -1.2475
41 G B -1.6642
42 K B -2.6853
43 A B -1.7277
44 P B 0.0000
45 K B -2.0017
46 L B 0.0000
47 L B 0.0000
48 I B 0.0000
49 Y B 0.0000
50 A B -0.0375
51 A B 0.0000
52 S B -0.3096
53 S B -0.0297
54 L B 0.1372
55 Q B -0.2616
56 S B -0.3299
57 G B -0.5942
58 V B 0.0000
59 P B -0.4842
60 S B -0.4778
61 R B -0.7762
62 F B 0.0000
63 S B -0.3596
64 G B -0.3136
65 S B -0.7136
66 G B -1.0961
67 S B -1.0335
68 G B -1.1650
69 T B -1.7094
70 D B -2.1985
71 F B 0.0000
72 T B -0.7334
73 L B 0.0000
74 T B -0.6174
75 I B 0.0000
76 S B -1.2955
77 S B -1.0803
78 L B 0.0000
79 Q B -0.7217
80 P B -1.0683
81 E B -1.7094
82 D B 0.0000
83 F B -0.6825
84 A B 0.0000
85 T B -0.9147
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 0.0000
92 Y B 0.6632
93 S B 0.2432
94 T B 0.0000
95 P B 0.3027
96 L B 0.3009
97 R B 0.0000
98 T B -0.6495
99 F B 0.0000
100 G B 0.0000
101 Q B -1.7965
102 G B 0.0000
103 T B 0.0000
104 K B -1.5914
105 L B 0.0000
106 E B -1.6678
107 I B -1.0023
108 K B -1.6252
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