Project name: ltb??

Status: done

Started: 2026-05-11 04:51:38
Settings
Chain sequence(s) A: MNKVKCYVLFTALLSSLYAHGAPQTITELCSEYRNTQIYTINDKILSYTESMAGKREMVIITFKSGETFQVEVPGSQHIDSQKKAIERMKDTLRITYLTETKIDKLCVWNNKTPNSIAAISMKN
C: MNKVKCYVLFTALLSSLYAHGAPQTITELCSEYRNTQIYTINDKILSYTESMAGKREMVIITFKSGETFQVEVPGSQHIDSQKKAIERMKDTLRITYLTETKIDKLCVWNNKTPNSIAAISMKN
B: MNKVKCYVLFTALLSSLYAHGAPQTITELCSEYRNTQIYTINDKILSYTESMAGKREMVIITFKSGETFQVEVPGSQHIDSQKKAIERMKDTLRITYLTETKIDKLCVWNNKTPNSIAAISMKN
E: MNKVKCYVLFTALLSSLYAHGAPQTITELCSEYRNTQIYTINDKILSYTESMAGKREMVIITFKSGETFQVEVPGSQHIDSQKKAIERMKDTLRITYLTETKIDKLCVWNNKTPNSIAAISMKN
D: MNKVKCYVLFTALLSSLYAHGAPQTITELCSEYRNTQIYTINDKILSYTESMAGKREMVIITFKSGETFQVEVPGSQHIDSQKKAIERMKDTLRITYLTETKIDKLCVWNNKTPNSIAAISMKN
input PDB
Selected Chain(s) A,C,B,E,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]                                                (00:00:09)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:09)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with all chain(s) selected           (00:00:09)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:09)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:09)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:13:50)
[INFO]       Main:     Simulation completed successfully.                                          (00:13:56)
Show buried residues

Minimal score value
-3.473
Maximal score value
3.8913
Average score
-0.4463
Total score value
-276.7272

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 M A 0.2241
2 N A -1.2865
3 K A -1.5645
4 V A 0.2739
5 K A -0.5330
6 C A 1.5506
7 Y A 2.9602
8 V A 3.5402
9 L A 3.7765
10 F A 3.5902
11 T A 2.3419
12 A A 2.0782
13 L A 2.5090
14 L A 2.4171
15 S A 1.6717
16 S A 1.6738
17 L A 2.1390
18 Y A 1.6292
19 A A 0.4894
20 H A -0.5196
21 G A -1.0553
22 A A -0.8979
23 P A 0.0000
24 Q A -1.0858
25 T A -0.8371
26 I A 0.0000
27 T A -0.9901
28 E A -1.8900
29 L A 0.0000
30 C A 0.0000
31 S A -1.6692
32 E A -2.0788
33 Y A -1.6891
34 R A -2.6093
35 N A -2.1533
36 T A -1.5675
37 Q A -0.6531
38 I A 0.3447
39 Y A 0.1431
40 T A -0.3032
41 I A -1.2463
42 N A -2.2968
43 D A -2.6137
44 K A -2.7713
45 I A 0.0000
46 L A -1.6592
47 S A 0.0000
48 Y A 0.0000
49 T A 0.0000
50 E A 0.0000
51 S A 0.0000
52 M A 0.0000
53 A A 0.0000
54 G A -1.2318
55 K A -1.9244
56 R A -1.2164
57 E A 0.0000
58 M A 0.0000
59 V A 0.0000
60 I A 0.0000
61 I A 0.0000
62 T A -0.9466
63 F A 0.0000
64 K A -2.2946
65 S A -1.4255
66 G A -1.3816
67 E A -1.1296
68 T A -0.7721
69 F A 0.0000
70 Q A 0.0000
71 V A 0.0000
72 E A 0.0000
73 V A -0.4516
74 P A -1.0463
75 G A -1.1120
76 S A -0.7829
77 Q A -1.0486
78 H A -0.9180
79 I A -0.6955
80 D A -2.4102
81 S A -1.9073
82 Q A 0.0000
83 K A -2.9803
84 K A -2.8344
85 A A 0.0000
86 I A 0.0000
87 E A -1.5966
88 R A 0.0000
89 M A 0.0000
90 K A 0.0000
91 D A -0.7395
92 T A 0.0000
93 L A 0.0000
94 R A -0.2271
95 I A 0.1393
96 T A 0.0000
97 Y A 0.0000
98 L A -0.7009
99 T A -0.8810
100 E A -2.2715
101 T A -2.2468
102 K A -3.4730
103 I A 0.0000
104 D A -1.9997
105 K A -0.8689
106 L A 0.0000
107 C A 0.0000
108 V A 0.0000
109 W A -1.3328
110 N A -2.0219
111 N A -2.3428
112 K A -1.7547
113 T A -1.1804
114 P A 0.0000
115 N A -1.1734
116 S A 0.0000
117 I A 0.0000
118 A A 0.0000
119 A A 0.0000
120 I A 0.0000
121 S A 0.0000
122 M A 0.0000
123 K A -2.5675
124 N A -2.6595
1 M B 0.2263
2 N B -1.2827
3 K B -1.5673
4 V B 0.2751
5 K B -0.4968
6 C B 1.6362
7 Y B 3.0753
8 V B 3.7658
9 L B 3.8898
10 F B 3.6589
11 T B 2.3755
12 A B 2.0622
13 L B 2.5002
14 L B 2.4141
15 S B 1.6801
16 S B 1.6825
17 L B 2.1413
18 Y B 1.6337
19 A B 0.5101
20 H B -0.4775
21 G B -0.9518
22 A B -0.7533
23 P B 0.0000
24 Q B -0.7738
25 T B -0.6127
26 I B 0.0000
27 T B -0.8008
28 E B -1.5008
29 L B 0.0000
30 C B 0.0000
31 S B -1.5786
32 E B -2.0596
33 Y B -1.6686
34 R B -2.5748
35 N B -2.0574
36 T B -1.5323
37 Q B -0.6524
38 I B 0.3253
39 Y B 0.1593
40 T B -0.2201
41 I B -1.0660
42 N B -2.0831
43 D B -2.2527
44 K B -2.4623
45 I B 0.0000
46 L B -1.6425
47 S B -1.1682
48 Y B 0.0000
49 T B 0.0000
50 E B 0.0000
51 S B 0.0000
52 M B 0.0000
53 A B 0.0000
54 G B -1.2222
55 K B -1.8955
56 R B -1.2253
57 E B 0.0000
58 M B 0.0000
59 V B 0.0000
60 I B 0.0000
61 I B 0.0000
62 T B -0.9535
63 F B 0.0000
64 K B -2.2276
65 S B -1.4019
66 G B -1.3930
67 E B -1.1433
68 T B -0.8135
69 F B 0.0000
70 Q B 0.0000
71 V B 0.0000
72 E B 0.0000
73 V B -0.4771
74 P B -1.0375
75 G B -1.1432
76 S B -0.8483
77 Q B -1.1662
78 H B -1.0305
79 I B -0.8609
80 D B -2.4976
81 S B -1.9614
82 Q B 0.0000
83 K B -3.0238
84 K B -2.8974
85 A B 0.0000
86 I B 0.0000
87 E B -1.5525
88 R B 0.0000
89 M B 0.0000
90 K B 0.0000
91 D B -0.7124
92 T B 0.0000
93 L B 0.0000
94 R B -0.2565
95 I B 0.0963
96 T B 0.0000
97 Y B 0.0000
98 L B -0.7474
99 T B -0.9934
100 E B -2.4679
101 T B -2.2553
102 K B -3.2996
103 I B 0.0000
104 D B 0.0000
105 K B -0.7350
106 L B 0.0000
107 C B 0.0000
108 V B 0.0000
109 W B -1.2889
110 N B -1.9373
111 N B -2.3144
112 K B -1.7971
113 T B -1.2296
114 P B 0.0000
115 N B -1.1850
116 S B 0.0000
117 I B 0.0000
118 A B 0.0000
119 A B 0.0000
120 I B 0.0000
121 S B 0.0000
122 M B 0.0000
123 K B -2.5275
124 N B -2.6199
1 M C 0.2304
2 N C -1.2839
3 K C -1.5693
4 V C 0.2740
5 K C -0.5000
6 C C 1.6203
7 Y C 3.0623
8 V C 3.7506
9 L C 3.8877
10 F C 3.6519
11 T C 2.3926
12 A C 2.0668
13 L C 2.5099
14 L C 2.4194
15 S C 1.6874
16 S C 1.6726
17 L C 2.1423
18 Y C 1.6289
19 A C 0.5032
20 H C -0.5155
21 G C -1.0508
22 A C -0.8626
23 P C 0.0000
24 Q C -1.0717
25 T C -0.7753
26 I C 0.0000
27 T C -0.8870
28 E C -1.6641
29 L C 0.0000
30 C C 0.0000
31 S C -1.6018
32 E C -2.0878
33 Y C -1.6561
34 R C -2.5274
35 N C -1.9458
36 T C -1.4797
37 Q C -0.6308
38 I C 0.3275
39 Y C 0.1701
40 T C -0.2054
41 I C -1.0176
42 N C -1.9994
43 D C -2.1186
44 K C -2.3549
45 I C 0.0000
46 L C -1.5580
47 S C -1.1220
48 Y C 0.0000
49 T C 0.0000
50 E C 0.0000
51 S C 0.0000
52 M C 0.0000
53 A C 0.0000
54 G C -1.2634
55 K C -1.9032
56 R C -1.2167
57 E C 0.0000
58 M C 0.0000
59 V C 0.0000
60 I C 0.0000
61 I C 0.0000
62 T C -0.8998
63 F C 0.0000
64 K C -2.1915
65 S C -1.3774
66 G C -1.3719
67 E C -1.1155
68 T C -0.7457
69 F C 0.0000
70 Q C 0.0000
71 V C 0.0000
72 E C 0.0000
73 V C -0.3976
74 P C -0.9697
75 G C -1.0667
76 S C -0.7613
77 Q C -0.9933
78 H C -0.9439
79 I C -0.8630
80 D C -2.4639
81 S C -1.9254
82 Q C 0.0000
83 K C -2.9174
84 K C -2.6735
85 A C 0.0000
86 I C 0.0000
87 E C -1.5115
88 R C 0.0000
89 M C 0.0000
90 K C 0.0000
91 D C -0.7350
92 T C 0.0000
93 L C 0.0000
94 R C -0.2538
95 I C 0.1194
96 T C 0.0000
97 Y C 0.0000
98 L C -0.7510
99 T C -0.9549
100 E C -2.3796
101 T C -2.1623
102 K C -3.1287
103 I C 0.0000
104 D C 0.0000
105 K C -0.7055
106 L C 0.0000
107 C C 0.0000
108 V C 0.0000
109 W C -1.2503
110 N C -1.9003
111 N C -2.2471
112 K C -1.6861
113 T C -1.1357
114 P C 0.0000
115 N C -1.1284
116 S C 0.0000
117 I C 0.0000
118 A C 0.0000
119 A C 0.0000
120 I C 0.0000
121 S C 0.0000
122 M C 0.0000
123 K C -2.5034
124 N C -2.6038
1 M D 0.2277
2 N D -1.2779
3 K D -1.5646
4 V D 0.2721
5 K D -0.5148
6 C D 1.5977
7 Y D 3.0041
8 V D 3.6250
9 L D 3.8249
10 F D 3.6241
11 T D 2.3709
12 A D 2.0759
13 L D 2.5124
14 L D 2.4205
15 S D 1.6793
16 S D 1.6632
17 L D 2.1419
18 Y D 1.6326
19 A D 0.4920
20 H D -0.5211
21 G D -1.0459
22 A D -0.8755
23 P D 0.0000
24 Q D -1.0478
25 T D -0.7980
26 I D 0.0000
27 T D -0.9412
28 E D -1.7877
29 L D 0.0000
30 C D 0.0000
31 S D -1.6283
32 E D -2.0474
33 Y D -1.6601
34 R D -2.5753
35 N D -2.0854
36 T D -1.5354
37 Q D -0.6532
38 I D 0.3294
39 Y D 0.1720
40 T D -0.2088
41 I D -1.0432
42 N D -2.0575
43 D D -2.1887
44 K D -2.4092
45 I D 0.0000
46 L D -1.5637
47 S D -1.1207
48 Y D 0.0000
49 T D 0.0000
50 E D 0.0000
51 S D 0.0000
52 M D 0.0000
53 A D 0.0000
54 G D -1.2525
55 K D -1.9136
56 R D -1.2203
57 E D 0.0000
58 M D 0.0000
59 V D 0.0000
60 I D 0.0000
61 I D 0.0000
62 T D -0.9338
63 F D 0.0000
64 K D -2.1927
65 S D -1.3814
66 G D -1.3740
67 E D -1.1184
68 T D -0.8074
69 F D 0.0000
70 Q D 0.0000
71 V D 0.0000
72 E D 0.0000
73 V D -0.4239
74 P D -0.9395
75 G D -1.0621
76 S D -0.8162
77 Q D -1.1123
78 H D -0.9279
79 I D -0.8040
80 D D -2.4050
81 S D -1.8877
82 Q D 0.0000
83 K D -2.6947
84 K D -2.7656
85 A D 0.0000
86 I D 0.0000
87 E D -1.5095
88 R D 0.0000
89 M D 0.0000
90 K D 0.0000
91 D D -0.6625
92 T D 0.0000
93 L D 0.0000
94 R D 0.0000
95 I D 0.1786
96 T D 0.0000
97 Y D 0.0000
98 L D -0.7326
99 T D -0.9712
100 E D -2.4330
101 T D -2.2530
102 K D -3.2861
103 I D 0.0000
104 D D 0.0000
105 K D -0.7346
106 L D 0.0000
107 C D 0.0000
108 V D 0.0000
109 W D -1.3058
110 N D -1.9811
111 N D -2.3159
112 K D -1.7462
113 T D -1.2132
114 P D 0.0000
115 N D -1.1846
116 S D 0.0000
117 I D 0.0000
118 A D 0.0000
119 A D 0.0000
120 I D 0.0000
121 S D 0.0000
122 M D 0.0000
123 K D -2.5839
124 N D -2.6544
1 M E 0.2216
2 N E -1.2823
3 K E -1.5674
4 V E 0.2732
5 K E -0.4958
6 C E 1.6391
7 Y E 3.0719
8 V E 3.7614
9 L E 3.8913
10 F E 3.6668
11 T E 2.3960
12 A E 2.0730
13 L E 2.5163
14 L E 2.4215
15 S E 1.6818
16 S E 1.6644
17 L E 2.1430
18 Y E 1.6280
19 A E 0.5102
20 H E -0.4997
21 G E -0.9963
22 A E -0.8479
23 P E 0.0000
24 Q E -0.9815
25 T E -0.8023
26 I E 0.0000
27 T E -1.0172
28 E E -1.9389
29 L E 0.0000
30 C E 0.0000
31 S E -1.7027
32 E E -2.1113
33 Y E -1.6946
34 R E -2.5680
35 N E -2.0607
36 T E -1.5282
37 Q E -0.6564
38 I E 0.3248
39 Y E 0.1604
40 T E -0.2181
41 I E -1.0432
42 N E -2.0490
43 D E -2.1638
44 K E -2.3927
45 I E 0.0000
46 L E -1.5824
47 S E -1.1463
48 Y E 0.0000
49 T E 0.0000
50 E E 0.0000
51 S E 0.0000
52 M E 0.0000
53 A E 0.0000
54 G E -1.2312
55 K E -1.9175
56 R E -1.2338
57 E E 0.0000
58 M E 0.0000
59 V E 0.0000
60 I E 0.0000
61 I E 0.0000
62 T E -0.9381
63 F E 0.0000
64 K E -2.1976
65 S E -1.3821
66 G E -1.3763
67 E E -1.1270
68 T E -0.7967
69 F E 0.0000
70 Q E 0.0000
71 V E 0.0000
72 E E 0.0000
73 V E -0.4093
74 P E -0.9384
75 G E -1.0100
76 S E -0.7790
77 Q E -1.0869
78 H E 0.0000
79 I E -0.8297
80 D E -2.4369
81 S E -1.9158
82 Q E 0.0000
83 K E -2.8239
84 K E -2.8299
85 A E 0.0000
86 I E 0.0000
87 E E -1.5806
88 R E 0.0000
89 M E 0.0000
90 K E 0.0000
91 D E -0.7439
92 T E 0.0000
93 L E 0.0000
94 R E -0.2657
95 I E 0.0878
96 T E 0.0000
97 Y E 0.0000
98 L E -0.7902
99 T E -0.9830
100 E E -2.4261
101 T E -2.1846
102 K E -3.1465
103 I E 0.0000
104 D E 0.0000
105 K E -0.6994
106 L E 0.0000
107 C E 0.0000
108 V E 0.0000
109 W E -1.2858
110 N E -1.9273
111 N E -2.3128
112 K E -1.8053
113 T E -1.2280
114 P E 0.0000
115 N E -1.1802
116 S E 0.0000
117 I E 0.0000
118 A E 0.0000
119 A E 0.0000
120 I E 0.0000
121 S E 0.0000
122 M E 0.0000
123 K E -2.4512
124 N E -2.5745
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Laboratory of Theory of Biopolymers 2018