Project name: 239

Status: done

Started: 2025-07-21 09:35:51
Chain sequence(s) A: EIQLVESGGGLVQPGGSVRLSCAVSGFFLTTYEMAWVRQAPGKGLEWVSSMNMHGGALAYTDSVKGRFTISRDTAQNSLFLDMTGLRAEDTAIYFCARLAECVGECPLIFDHWGQGALVTVSS
B: SSGLTQDPAVSVALGQTVRITCQGDSLRNFFATWYQQKPPQAPVLVLYNKNDRPSGIPDRFSGSTSGNIASLTITGAQAEDEGDYYCLCRDADASPPVLFGGGTRLTVL
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                                          (00:01:11)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:12)
Show buried residues

Minimal score value
-3.1873
Maximal score value
1.8018
Average score
-0.6192
Total score value
-143.6609

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 -2.0254
2 I A -1.2065
3 Q A -1.5863
4 L A 0.0000
5 V A -0.0973
6 E A 0.0000
7 S A -0.4895
8 G A -0.7596
9 G A 0.0215
10 G A 0.7105
11 L A 1.3533
12 V A -0.0800
13 Q A -1.3606
14 P A -1.5866
15 G A -1.3384
16 G A -0.8853
17 S A -0.9929
18 V A -0.5976
19 R A -1.5051
20 L A 0.0000
21 S A -0.4808
22 C A 0.0000
23 A A -0.2467
24 V A 0.0000
25 S A -0.5155
26 G A -0.6375
27 F A 0.6079
28 F A 1.8018
29 L A 0.0000
30 T A 0.1984
31 T A 0.1261
32 Y A -0.2916
33 E A -1.2067
34 M A 0.0000
35 A A 0.0000
36 W A 0.0000
37 V A 0.0000
38 R A 0.0000
39 Q A 0.0000
40 A A -0.9890
41 P A -0.8872
42 G A -1.4944
43 K A -2.1915
44 G A -1.3611
45 L A 0.0000
46 E A -0.8811
47 W A 0.0000
48 V A 0.0000
49 S A 0.0000
50 S A -0.0185
51 M A 0.0000
52 N A -0.6549
53 M A -0.3497
54 H A -1.1352
55 G A -0.7728
56 G A -0.3412
57 A A 0.1171
58 L A 0.7620
59 A A -0.0494
60 Y A -0.7460
61 T A -1.3706
62 D A -2.4357
63 S A -1.7015
64 V A 0.0000
65 K A -2.5514
66 G A -1.6489
67 R A -1.1457
68 F A 0.0000
69 T A -0.6159
70 I A 0.0000
71 S A -0.3204
72 R A -0.8039
73 D A -1.0610
74 T A -0.4611
75 A A -0.5654
76 Q A -1.2336
77 N A -0.4402
78 S A -0.4001
79 L A 0.0000
80 F A -0.5060
81 L A 0.0000
82 D A -1.0728
83 M A 0.0000
84 T A -0.9127
85 G A -1.0352
86 L A 0.0000
87 R A -2.2320
88 A A -1.7347
89 E A -2.2360
90 D A 0.0000
91 T A -0.3593
92 A A 0.0000
93 I A 0.6617
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 L A 0.0000
100 A A -0.6621
101 E A -1.1251
102 C A 0.3868
103 V A 0.9994
104 G A -0.6542
105 E A -1.5971
106 C A -0.1494
107 P A 0.0000
108 L A -0.1555
109 I A 0.0000
110 F A 0.0000
111 D A -0.5160
112 H A -0.4514
113 W A -0.3562
114 G A 0.0000
115 Q A -1.4075
116 G A -0.3941
117 A A 0.0000
118 L A 1.3535
119 V A 0.0000
120 T A 0.2722
121 V A 0.0000
122 S A -0.7412
123 S A -0.4718
1 S B -0.9866
2 S B -0.6862
3 G B -1.1816
4 L B 0.0000
5 T B -1.0167
6 Q B 0.0000
7 D B -2.2858
8 P B -1.6071
9 A B -1.2620
10 V B -0.8374
11 S B -0.1327
12 V B 0.0000
13 A B 0.7493
14 L B 1.0706
15 G B -0.1962
16 Q B -0.8059
17 T B -1.0412
18 V B 0.0000
19 R B -1.8667
20 I B 0.0000
21 T B -0.9376
22 C B 0.0000
23 Q B -1.6509
24 G B 0.0000
25 D B -3.1105
26 S B 0.0000
27 L B 0.0000
28 R B -3.1873
29 N B -2.6652
30 F B -1.5753
31 F B -1.0535
32 A B 0.0000
33 T B 0.0000
34 W B 0.0000
35 Y B 0.0000
36 Q B -0.2316
37 Q B 0.0000
38 K B -1.3885
39 P B -1.2439
40 P B -1.3352
41 Q B -1.6902
42 A B -0.7882
43 P B 0.0000
44 V B 1.2251
45 L B 0.6878
46 V B 0.0000
47 L B 0.0000
48 Y B -1.1641
49 N B -1.7368
50 K B -2.8091
51 N B -2.4868
52 D B -2.5522
53 R B -2.0817
54 P B -0.6495
55 S B -0.6856
56 G B -0.8191
57 I B -0.6994
58 P B -1.2608
59 D B -2.2851
60 R B -1.3242
61 F B 0.0000
62 S B -1.6396
63 G B -1.3926
64 S B -0.8637
65 T B -0.9673
66 S B -0.8148
67 G B -1.7430
68 N B -2.0744
69 I B -0.7482
70 A B 0.0000
71 S B 0.0000
72 L B 0.0000
73 T B -0.9576
74 I B 0.0000
75 T B -1.1723
76 G B -0.6182
77 A B 0.0000
78 Q B -0.9365
79 A B -0.8317
80 E B -2.2917
81 D B 0.0000
82 E B -2.0767
83 G B -1.7194
84 D B 0.0000
85 Y B 0.0000
86 Y B 0.0000
87 C B 0.0000
88 L B 0.0000
89 C B 0.0000
90 R B -1.2054
91 D B -1.7183
92 A B -2.0411
93 D B -2.2333
94 A B -1.2248
95 S B -1.1916
96 P B -1.0988
97 P B -0.7975
98 V B 0.0000
99 L B 0.0000
100 F B 0.0000
101 G B 0.0000
102 G B -1.4183
103 G B -1.3741
104 T B 0.0000
105 R B -2.4265
106 L B 0.0000
107 T B -0.4189
108 V B 0.2182
109 L B 1.6182
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