Project name: 1c7c9dafb1a276a

Status: done

Started: 2026-04-22 14:34:06
Settings
Chain sequence(s) A: VLSPADKTNVKAAWGKVGAHAGEYGAEALERMFLSFPTTKTYFPHFDLSHGSAQVKGHGKKVADALTNAVAHVDDMPNALSALSDLHAHKLRVDPVNFKLLSHCLLVTLAAHLPAEFTPAVHASLDKFLASVSTVLTSKYR
C: VLSPADKTNVKAAWGKVGAHAGEYGAEALERMFLSFPTTKTYFPHFDLSHGSAQVKGHGKKVADALTNAVAHVDDMPNALSALSDLHAHKLRVDPVNFKLLSHCLLVTLAAHLPAEFTPAVHASLDKFLASVSTVLTSKYR
B: HLTPEEKSAVTALWGKVNVDEVGGEALGRLLVVYPWTQRFFESFGDLSTPDAVMGNPKVKAHGKKVLGAFSDGLAHLDNLKGTFATLSELHCDKLHVDPENFRLLGNVLVCVLAHHFGKEFTPPVQAAYQKVVAGVANALAHKYH
D: HLTPEEKSAVTALWGKVNVDEVGGEALGRLLVVYPWTQRFFESFGDLSTPDAVMGNPKVKAHGKKVLGAFSDGLAHLDNLKGTFATLSELHCDKLHVDPENFRLLGNVLVCVLAHHFGKEFTPPVQAAYQKVVAGVANALAHKYH
input PDB
Selected Chain(s) A,C,B,D
Distance of aggregation 10 Å
FoldX usage Yes
Dynamic mode No
Automated mutations No
Downloads Download all the data
Simulation log
[INFO]       Logger:   Verbosity set to: 2 - [INFO]                                                (00:00:02)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:02)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with all chain(s) selected           (00:00:02)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:02)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:02)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:12:03)
[INFO]       Main:     Simulation completed successfully.                                          (00:12:08)
Show buried residues

Minimal score value
-3.9957
Maximal score value
1.459
Average score
-0.8075
Total score value
-461.9037

The table below lists A3D score for protein residues. Residues with A3D score > 0.0000 are marked by yellow rows.

residue index residue name chain Aggrescan3D score mutation
residue index residue name chain Aggrescan3D score
mutation
1 V A 1.2457
2 L A 0.0000
3 S A 0.0469
4 P A -0.2667
5 A A -0.3950
6 D A 0.0000
7 K A -1.1431
8 T A -0.7626
9 N A -0.7745
10 V A 0.0000
11 K A -1.6423
12 A A -1.3019
13 A A 0.0000
14 W A 0.0000
15 G A -1.7473
16 K A -2.3830
17 V A 0.0000
18 G A -1.3347
19 A A -1.0632
20 H A -1.8944
21 A A -2.1383
22 G A -3.0192
23 E A -2.8126
24 Y A -1.5506
25 G A 0.0000
26 A A -2.1895
27 E A -1.2135
28 A A 0.0000
29 L A 0.0000
30 E A -0.5412
31 R A 0.0000
32 M A 0.0000
33 F A 0.0000
34 L A 0.5926
35 S A 0.3968
36 F A 0.2856
37 P A -0.0922
38 T A -0.2139
39 T A 0.0000
40 K A -0.2508
41 T A 0.0000
42 Y A 0.0670
43 F A -0.4746
44 P A -1.1720
45 H A -1.2737
46 F A -1.1525
47 D A -2.0680
48 L A -1.2411
49 S A -1.1428
50 H A -1.5881
51 G A -1.5035
52 S A -1.5321
53 A A -1.3320
54 Q A -1.8200
55 V A 0.0000
56 K A -3.0617
57 G A -2.3297
58 H A -2.1704
59 G A 0.0000
60 K A -3.9957
61 K A -3.3361
62 V A -2.0028
63 A A 0.0000
64 D A -3.1019
65 A A -1.7988
66 L A 0.0000
67 T A -1.6563
68 N A -1.6453
69 A A 0.0000
70 V A 0.0000
71 A A -1.1696
72 H A -1.9443
73 V A 0.0000
74 D A -2.6848
75 D A -2.5111
76 M A 0.0000
77 P A -1.4028
78 N A -1.8686
79 A A -1.3911
80 L A 0.0000
81 S A -0.8057
82 A A -0.3353
83 L A 0.0052
84 S A 0.0000
85 D A -1.6432
86 L A -0.8494
87 H A -0.8093
88 A A 0.0000
89 H A -1.9909
90 K A -1.9866
91 L A -0.4738
92 R A -0.7238
93 V A 0.0886
94 D A 0.0000
95 P A -0.0349
96 V A 0.1924
97 N A 0.0000
98 F A -0.2729
99 K A -1.3330
100 L A -0.2954
101 L A -0.0730
102 S A -0.5063
103 H A -0.5014
104 C A 0.0000
105 L A 0.0000
106 L A 0.0000
107 V A 0.0000
108 T A 0.0000
109 L A 0.0000
110 A A 0.0000
111 A A 0.0000
112 H A -0.9986
113 L A 0.0000
114 P A -0.5397
115 A A -0.3121
116 E A -0.7304
117 F A 0.0000
118 T A -0.1711
119 P A -0.2722
120 A A -0.2382
121 V A -0.0636
122 H A 0.0000
123 A A -0.1261
124 S A 0.0000
125 L A 0.0000
126 D A -0.4799
127 K A -0.1376
128 F A 0.0000
129 L A 0.0000
130 A A -0.4425
131 S A 0.1834
132 V A 0.0000
133 S A -0.1893
134 T A -0.3037
135 V A -0.2075
136 L A -0.1430
137 T A -0.4080
138 S A -0.5459
139 K A -1.3459
140 Y A 0.0000
141 R A -0.8029
2 H B -1.3916
3 L B -1.2551
4 T B -1.0968
5 P B -1.5029
6 E B -2.1857
7 E B 0.0000
8 K B -1.3693
9 S B -1.1494
10 A B -0.7767
11 V B 0.0000
12 T B -0.5259
13 A B -0.5424
14 L B 0.0000
15 W B -0.8292
16 G B -1.3898
17 K B -2.1181
18 V B 0.0000
19 N B -2.8580
20 V B -2.5029
21 D B -3.8521
22 E B -3.4573
23 V B 0.0000
24 G B 0.0000
25 G B 0.0000
26 E B -1.2947
27 A B 0.0000
28 L B 0.0000
29 G B 0.0000
30 R B 0.0000
31 L B 0.0000
32 L B 0.0000
33 V B -0.1218
34 V B 0.0000
35 Y B 0.0042
36 P B -0.3133
37 W B 0.0000
38 T B 0.0000
39 Q B -0.5367
40 R B -1.0163
41 F B -0.0888
42 F B -0.8341
43 E B -2.0367
44 S B -1.4299
45 F B -1.3365
46 G B -1.8672
47 D B -2.5843
48 L B -1.3928
49 S B -1.0196
50 T B -0.9335
51 P B -0.9820
52 D B -2.0972
53 A B -1.5703
54 V B 0.0000
55 M B -1.2697
56 G B -1.5592
57 N B 0.0000
58 P B -1.5792
59 K B -2.1991
60 V B 0.0000
61 K B -2.6962
62 A B -2.2725
63 H B -1.8483
64 G B 0.0000
65 K B -3.4658
66 K B -2.4792
67 V B -1.0306
68 L B 0.0000
69 G B -1.8033
70 A B -1.0068
71 F B 0.0000
72 S B -0.9972
73 D B -1.8711
74 G B 0.0000
75 L B -0.9529
76 A B -1.0363
77 H B -1.9698
78 L B -1.8310
79 D B -2.8190
80 N B -2.7734
81 L B -1.9280
82 K B -2.5961
83 G B -1.8692
84 T B -1.4258
85 F B 0.0000
86 A B -0.9837
87 T B -0.4719
88 L B -0.0149
89 S B 0.0000
90 E B -2.1732
91 L B -1.0870
92 H B -0.9831
93 C B 0.0000
94 D B -2.9594
95 K B -2.4181
96 L B -0.6693
97 H B -0.9767
98 V B -0.2157
99 D B 0.0000
100 P B 0.0000
101 E B -0.2901
102 N B 0.0000
103 F B -0.1921
104 R B -0.7453
105 L B -0.1838
106 L B 0.0003
107 G B 0.0000
108 N B -0.4441
109 V B 0.0000
110 L B 0.0000
111 V B 0.0000
112 C B 0.0000
113 V B 0.0000
114 L B 0.0000
115 A B 0.0000
116 H B -0.7117
117 H B -0.9265
118 F B -1.2568
119 G B -1.6461
120 K B -2.6841
121 E B -2.6076
122 F B 0.0000
123 T B -1.1248
124 P B -0.5292
125 P B -0.2050
126 V B -0.4166
127 Q B 0.0000
128 A B 0.0000
129 A B 0.0000
130 Y B 0.0000
131 Q B 0.0000
132 K B -0.7858
133 V B 0.0000
134 V B 0.0000
135 A B -0.5769
136 G B -1.1202
137 V B 0.0000
138 A B 0.0000
139 N B -1.2593
140 A B 0.0000
141 L B -0.8052
142 A B -1.2797
143 H B -1.9717
144 K B -2.1072
145 Y B 0.0000
146 H B -1.6603
1 V C 1.4590
2 L C 0.4557
3 S C 0.1489
4 P C -0.4061
5 A C -0.3483
6 D C 0.0000
7 K C -1.0262
8 T C -0.6951
9 N C -0.7398
10 V C 0.0000
11 K C -1.5496
12 A C -1.1897
13 A C 0.0000
14 W C 0.0000
15 G C -1.7511
16 K C -2.3763
17 V C 0.0000
18 G C -1.4004
19 A C -0.9501
20 H C -1.5381
21 A C 0.0000
22 G C -2.1505
23 E C -1.8373
24 Y C 0.0000
25 G C 0.0000
26 A C 0.0000
27 E C -0.9655
28 A C 0.0000
29 L C 0.0000
30 E C -0.5229
31 R C 0.0000
32 M C 0.0000
33 F C 0.0000
34 L C 0.5492
35 S C 0.3292
36 F C 0.2647
37 P C -0.1486
38 T C -0.2470
39 T C 0.0000
40 K C -0.4173
41 T C 0.0000
42 Y C 0.0147
43 F C -0.4437
44 P C -1.2419
45 H C -1.3195
46 F C -1.1858
47 D C -2.0922
48 L C -1.3284
49 S C -1.2565
50 H C -1.7089
51 G C -1.6740
52 S C -1.4852
53 A C -1.2901
54 Q C -1.7737
55 V C 0.0000
56 K C -2.5900
57 G C -2.1229
58 H C -1.7790
59 G C 0.0000
60 K C -2.9025
61 K C -2.3923
62 V C -1.3280
63 A C 0.0000
64 D C -1.7742
65 A C -0.9987
66 L C 0.0000
67 T C -1.0376
68 N C -0.8383
69 A C 0.0000
70 V C 0.0000
71 A C -1.1486
72 H C -1.9993
73 V C 0.0000
74 D C -2.8206
75 D C -2.7036
76 M C 0.0000
77 P C -1.5688
78 N C -2.0588
79 A C -1.4464
80 L C 0.0000
81 S C -0.8627
82 A C -0.2276
83 L C 0.0001
84 S C 0.0000
85 D C -1.2229
86 L C -0.6593
87 H C -0.7781
88 A C 0.0000
89 H C -1.8465
90 K C -1.8518
91 L C -0.4682
92 R C -0.7022
93 V C 0.0586
94 D C 0.0000
95 P C 0.0723
96 V C 0.4266
97 N C 0.0000
98 F C -0.1768
99 K C -1.2207
100 L C -0.1447
101 L C 0.0153
102 S C -0.4690
103 H C -0.4669
104 C C 0.0000
105 L C 0.0000
106 L C 0.0000
107 V C 0.0000
108 T C 0.0000
109 L C 0.0000
110 A C 0.0000
111 A C -1.0762
112 H C -0.9678
113 L C 0.0000
114 P C -0.5958
115 A C -0.2825
116 E C -0.6574
117 F C 0.0000
118 T C -0.3396
119 P C -0.3033
120 A C -0.2454
121 V C -0.0380
122 H C 0.0000
123 A C -0.1506
124 S C 0.0000
125 L C 0.0000
126 D C -0.4788
127 K C -0.0938
128 F C 0.0000
129 L C 0.0000
130 A C -0.2948
131 S C 0.1904
132 V C 0.0000
133 S C -0.2209
134 T C -0.4760
135 V C 0.0000
136 L C -0.3143
137 T C -0.6057
138 S C -0.9042
139 K C -1.8550
140 Y C 0.0000
141 R C -0.9851
2 H D -1.4326
3 L D -1.3475
4 T D -1.1761
5 P D -1.5507
6 E D -2.3144
7 E D -1.7436
8 K D -1.4603
9 S D -1.2324
10 A D -0.8475
11 V D 0.0000
12 T D -0.7295
13 A D -0.5646
14 L D 0.0000
15 W D -0.7326
16 G D -1.3031
17 K D -1.9686
18 V D -1.7198
19 N D -2.3876
20 V D -2.1189
21 D D -3.3185
22 E D -3.1855
23 V D 0.0000
24 G D 0.0000
25 G D -2.3340
26 E D -1.4571
27 A D 0.0000
28 L D 0.0000
29 G D 0.0000
30 R D 0.0000
31 L D 0.0000
32 L D 0.0000
33 V D -0.1621
34 V D 0.0000
35 Y D 0.0000
36 P D -0.3722
37 W D 0.0000
38 T D 0.0000
39 Q D -0.7304
40 R D -0.9314
41 F D 0.0508
42 F D -1.0377
43 E D -2.0268
44 S D -1.4063
45 F D -1.4295
46 G D -1.9320
47 D D -2.6225
48 L D -1.3901
49 S D -1.0169
50 T D -0.9909
51 P D -0.9755
52 D D -2.1015
53 A D -1.5630
54 V D 0.0000
55 M D -1.1469
56 G D -1.6089
57 N D 0.0000
58 P D -1.6893
59 K D -2.4842
60 V D 0.0000
61 K D -2.6675
62 A D -2.3092
63 H D -1.8959
64 G D 0.0000
65 K D -3.2598
66 K D -2.4178
67 V D -0.9886
68 L D 0.0000
69 G D -1.5609
70 A D -0.9785
71 F D 0.0000
72 S D -0.9671
73 D D -1.8853
74 G D 0.0000
75 L D -1.0040
76 A D -1.1215
77 H D -2.1525
78 L D -1.9243
79 D D -2.9041
80 N D -2.8967
81 L D -2.1278
82 K D -2.8439
83 G D -1.9759
84 T D -1.5096
85 F D 0.0000
86 A D -0.9894
87 T D -0.3912
88 L D -0.1095
89 S D 0.0000
90 E D -1.7323
91 L D -0.7822
92 H D -0.6733
93 C D 0.0000
94 D D -2.4845
95 K D -2.1062
96 L D -0.3416
97 H D -0.6533
98 V D -0.0698
99 D D 0.0000
100 P D 0.0000
101 E D -0.4990
102 N D 0.0000
103 F D -0.3107
104 R D -0.8455
105 L D -0.2462
106 L D -0.0400
107 G D 0.0000
108 N D -0.4381
109 V D 0.0000
110 L D 0.0000
111 V D 0.0000
112 C D 0.0000
113 V D 0.0000
114 L D 0.0000
115 A D 0.0000
116 H D -0.9528
117 H D -1.2863
118 F D -1.4157
119 G D -1.6853
120 K D -2.5678
121 E D -2.3119
122 F D 0.0000
123 T D -0.9946
124 P D -0.4104
125 P D -0.2529
126 V D -0.4031
127 Q D 0.0000
128 A D 0.0000
129 A D 0.0000
130 Y D 0.0000
131 Q D 0.0000
132 K D -0.9412
133 V D 0.0000
134 V D 0.0000
135 A D -0.6999
136 G D -1.2773
137 V D 0.0000
138 A D 0.0000
139 N D -1.6401
140 A D 0.0000
141 L D 0.0000
142 A D -1.4607
143 H D -2.2040
144 K D -2.0614
145 Y D -1.5360
146 H D -1.5311
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Laboratory of Theory of Biopolymers 2018