Project name: 274

Status: done

Started: 2025-07-21 09:48:11
Chain sequence(s) A: EVQLVESGGGVVQPGRSLRLSCVASGFMFDDFAMSWVRQVPGKGLEWVSGISWNGGTTDYATSVQGRFTISRDDAKSTLYLEMNSLRPDDTAFYYCAKDIRVRNSPPEAAVVRSYFYGLDVWGRGTTVTVSS
B: QSVLTQSPSVSGAPGQRVTISCTGSDSNIGAGFDVHWYQQVPGSAPKLLIYGNTNRPSGVSDRFSGSKSLTSASLAITGLQPEDEGDYYCQSYDSRLTASVFGGGTKVTVL
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                                          (00:01:39)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:41)
Show buried residues

Minimal score value
-3.0962
Maximal score value
1.4607
Average score
-0.5687
Total score value
-138.2014

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 -1.9508
2 V A -0.7901
3 Q A -1.1491
4 L A 0.0000
5 V A 0.3745
6 E A 0.0000
7 S A -0.4963
8 G A -0.9225
9 G A -0.3067
10 G A 0.4027
11 V A 1.4607
12 V A -0.3541
13 Q A -1.8254
14 P A -2.2343
15 G A -2.2398
16 R A -2.6514
17 S A -2.0604
18 L A -1.2199
19 R A -2.1259
20 L A 0.0000
21 S A -0.3332
22 C A 0.0000
23 V A 0.5719
24 A A 0.0000
25 S A -0.5278
26 G A -0.8385
27 F A 0.0096
28 M A 0.6032
29 F A 0.0000
30 D A -1.9717
31 D A -1.3678
32 F 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 0.0000
40 V A -0.5173
41 P A -0.7347
42 G A -1.3421
43 K A -2.0568
44 G A -1.3806
45 L A 0.0000
46 E A -0.9527
47 W A 0.0000
48 V A 0.0000
49 S A 0.0000
50 G A 0.0000
51 I A 0.0000
52 S A 0.0000
53 W A -1.7119
54 N A -2.1906
55 G A -1.4073
56 G A -0.9813
57 T A -0.5919
58 T A -0.2830
59 D A -0.3047
60 Y A -0.4331
61 A A -0.4705
62 T A -0.5342
63 S A -0.8622
64 V A 0.0000
65 Q A -1.5570
66 G A -1.2706
67 R A -1.3827
68 F A 0.0000
69 T A -0.9121
70 I A 0.0000
71 S A -0.5298
72 R A -1.2473
73 D A -1.5250
74 D A -2.1217
75 A A -1.5304
76 K A -1.9744
77 S A -1.1983
78 T A 0.0000
79 L A 0.0000
80 Y A -0.5119
81 L A 0.0000
82 E A -1.6170
83 M A 0.0000
84 N A -1.8712
85 S A -1.8148
86 L A 0.0000
87 R A -3.0962
88 P A -2.1861
89 D A -2.4226
90 D A 0.0000
91 T A -0.5916
92 A A 0.0000
93 F A 0.3396
94 Y A 0.0000
95 Y A 0.0000
96 C A 0.0000
97 A A 0.0000
98 K A 0.0000
99 D A 0.0000
100 I A 0.2008
101 R A 0.0000
102 V A -0.4191
103 R A -2.3837
104 N A -2.0576
105 S A -1.3339
106 P A -1.1333
107 P A -1.0481
108 E A -1.2244
109 A A -0.3983
110 A A 0.1683
111 V A 0.6152
112 V A -0.0155
113 R A -0.7336
114 S A -0.9137
115 Y A 0.0000
116 F A 0.0000
117 Y A 0.0000
118 G A 0.0000
119 L A 0.0000
120 D A -0.6651
121 V A -0.4292
122 W A -0.5658
123 G A 0.0000
124 R A -1.7369
125 G A 0.0000
126 T A -0.3542
127 T A 0.2611
128 V A 0.0000
129 T A -0.0290
130 V A 0.0000
131 S A -0.7548
132 S A -1.0594
1 Q B -1.1428
2 S B -0.5810
3 V B 0.3507
4 L B 0.0000
5 T B -0.3271
6 Q B 0.0000
7 S B -0.5540
8 P B -0.7263
9 S B -0.6375
10 V B -0.0752
11 S B -0.1366
12 G B 0.0000
13 A B -0.2532
14 P B -1.0682
15 G B -1.6124
16 Q B -2.1875
17 R B -2.5717
18 V B 0.0000
19 T B -0.4765
20 I B 0.0000
21 S B -0.3362
22 C B 0.0000
23 T B -0.0348
24 G B -0.2572
25 S B -0.7940
26 D B -1.9801
27 S B -1.5297
28 N B 0.0000
29 I B 0.0000
30 G B -0.6758
31 A B -0.3556
32 G B 0.0719
33 F B 0.0000
34 D B 0.0000
35 V B 0.0000
36 H B 0.0000
37 W B 0.0000
38 Y B 0.0000
39 Q B 0.0000
40 Q B -0.7089
41 V B -0.5518
42 P B -0.4746
43 G B -0.7121
44 S B -0.7470
45 A B -0.8043
46 P B 0.0000
47 K B -1.4001
48 L B 0.0000
49 L B 0.0000
50 I B 0.0000
51 Y B -0.3045
52 G B 0.0000
53 N B -0.6659
54 T B -0.5851
55 N B -0.8168
56 R B -1.1887
57 P B -0.5924
58 S B -0.5890
59 G B -0.8134
60 V B -0.9756
61 S B -1.2483
62 D B -2.1444
63 R B -1.5605
64 F B 0.0000
65 S B -0.8822
66 G B -0.5166
67 S B -0.6401
68 K B -0.4664
69 S B 0.1726
70 L B 0.9557
71 T B -0.0244
72 S B 0.0241
73 A B 0.0000
74 S B -0.3989
75 L B 0.0000
76 A B 0.0000
77 I B 0.0000
78 T B -1.7076
79 G B -1.4518
80 L B 0.0000
81 Q B -1.7141
82 P B -1.4298
83 E B -2.3073
84 D B 0.0000
85 E B -1.6046
86 G B 0.0000
87 D B -0.9821
88 Y B 0.0000
89 Y B 0.0000
90 C B 0.0000
91 Q B 0.0000
92 S B 0.0000
93 Y B 0.0000
94 D B 0.0000
95 S B -1.1434
96 R B -1.9852
97 L B -0.6069
98 T B -0.6481
99 A B 0.0000
100 S B 0.0000
101 V B 0.0000
102 F B 0.0000
103 G B 0.0000
104 G B -1.1617
105 G B -0.9970
106 T B 0.0000
107 K B -1.2288
108 V B 0.0000
109 T B -0.3014
110 V B -0.0374
111 L B 1.3855
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