Project name: 941355f1a461932

Status: done

Started: 2025-08-11 03:47:32
Settings
Chain sequence(s) A: VQLQASGGGFVQPGGSLRLSCAASGTTSFGDTMGWFRQAPGKEREFVSAISRQDDSHYYADSVKGRFTISRDNSKNTVYLQMNSLRAEDTATYYCAEWMNTRREFITPYWGQGTQVTVSS
C: GKPIPNPLLGLDST
B: VQLQASSGGGFVQPGGSLRLSCAASGTTSFGDTMGWFRQAPGKEREFVSAISRQDDSHYYADSVKGRFTISRDNSKNTVYLQMNSLRAEDTATYYCAEWMNTRRREFITPYWGQGTQVTVSS
E: GKPIPNPLLGLDST
D: VQLQASSGGGFVQPGGSLRLSCAASGTTSFGDTMGWFRQAPGKEREFVSAISRQDDSHYYADSVKGRFTISRDNSKNTVYLQMNSLRAEDTATYYCAEWMNTRREFITPYWGQGTQVTVSS
G: VQLQASGGGFVQPGGSLRLSCAASGTTSFGDTMGWFRQAPGKEREFVSAISRDDSHYYADSVKGRFTISRDNSKNTVYLQMNSLRAEDTATYYCAEWMNTRRREFITPYWGQGTQVTVSS
F: GKPIPNPLLGLDST
H: GKPIPNPLLGLDST
input PDB
Selected Chain(s) A,C,B,E,D,G,F,H
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]                                                (00:00:01)
[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 minimalization                                        (00:00:01)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:05:27)
[INFO]       Main:     Simulation completed successfully.                                          (00:05:32)
Show buried residues

Minimal score value
-3.4725
Maximal score value
1.4913
Average score
-0.7614
Total score value
-407.3493

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
4 V A 1.1861
5 Q A -0.5421
6 L A 0.0000
7 Q A -0.9927
8 A A 0.0000
9 S A -0.8838
10 G A -1.0774
11 G A -0.4234
12 G A 0.5544
13 F A 1.4805
14 V A 0.0000
15 Q A -1.3289
16 P A -1.5503
17 G A -1.3114
18 G A -0.8491
19 S A -1.2824
20 L A -0.9782
21 R A -2.2711
22 L A 0.0000
23 S A -0.8796
24 C A 0.0000
25 A A -1.2803
26 A A -1.0251
27 S A -0.8472
28 G A -1.2583
29 T A -0.4826
30 T A -0.1962
31 S A -0.1847
32 F A 0.6180
33 G A -0.1232
34 D A -0.8399
35 T A 0.0000
36 M A 0.0000
37 G A 0.0000
38 W A 0.0000
39 F A 0.0000
40 R A 0.0000
41 Q A 0.0000
42 A A -1.4042
43 P A -1.0969
44 G A -1.8953
45 K A -3.2439
46 E A -3.4445
47 R A -2.6392
48 E A -1.5446
49 F A -0.5834
50 V A 0.0000
51 S A 0.0000
52 A A 0.0000
53 I A 0.0000
54 S A 0.0000
55 R A -2.7808
56 Q A -2.9603
58 D A -3.1495
59 D A -2.4836
60 S A -1.7674
61 H A -0.9864
62 Y A 0.0000
63 Y A -1.1872
64 A A -1.4829
65 D A -2.3609
66 S A -1.5979
67 V A 0.0000
68 K A -2.6494
69 G A -1.7840
70 R A -1.4168
71 F A 0.0000
72 T A -1.0186
73 I A 0.0000
74 S A -0.8279
75 R A -1.6362
76 D A -2.2747
77 N A -2.6558
78 S A -2.1663
79 K A -2.9385
80 N A -2.5783
81 T A 0.0000
82 V A 0.0000
83 Y A 0.0000
84 L A 0.0000
85 Q A -1.6824
86 M A 0.0000
87 N A -1.3369
88 S A -1.1438
89 L A 0.0000
90 R A -2.2894
91 A A -1.7510
92 E A -2.2256
93 D A 0.0000
94 T A -0.6788
95 A A 0.0000
96 T A 0.0000
97 Y A 0.0000
98 Y A 0.0000
99 C A 0.0000
100 A A 0.0000
101 E A 0.0000
102 W A 0.0000
103 M A 0.4570
104 N A -0.6173
105 T A -1.4038
106 R A -2.4807
107 R A -2.9338
108 E A -2.1189
109 F A -0.2331
110 I A 0.0000
111 T A 0.0367
112 P A 0.0000
113 Y A 0.5402
114 W A 0.1391
115 G A 0.0000
116 Q A -0.4623
117 G A 0.0000
118 T A -0.5232
119 Q A -0.1564
120 V A 0.0000
121 T A -0.0653
122 V A 0.0000
123 S A -0.7555
124 S A -0.4306
106 G E -1.2154
107 K E -2.0185
108 P E -0.8842
109 I E 0.0000
110 P E -0.1571
111 N E 0.0000
112 P E -0.0099
113 L E 0.0000
114 L E 0.3890
115 G E 0.1114
116 L E -0.3957
117 D E -1.5001
118 S E -1.0738
119 T E -0.6352
4 V B 1.0357
5 Q B -0.6603
6 L B 0.0000
7 Q B -1.1753
8 A B 0.0000
9 S B -0.8990
10 G B -1.0026
11 G B -0.4122
12 G B 0.5288
13 F B 1.4665
14 V B 0.0000
15 Q B -1.3350
16 P B -1.5608
17 G B -1.3319
18 G B -0.8559
19 S B -1.1863
20 L B -0.7910
21 R B -1.8967
22 L B 0.0000
23 S B -0.7439
24 C B 0.0000
25 A B -1.1965
26 A B -1.0647
27 S B -0.8950
28 G B -1.3144
29 T B -0.5587
30 T B -0.1880
31 S B -0.3139
32 F B 0.3457
33 G B -0.3019
34 D B 0.0000
35 T B 0.0000
36 M B 0.0000
37 G B 0.0000
38 W B 0.0000
39 F B 0.0000
40 R B 0.0000
41 Q B 0.0000
42 A B -1.4376
43 P B -1.0606
44 G B -1.9128
45 K B -3.2736
46 E B -3.4725
47 R B -2.6864
48 E B -1.6003
49 F B -0.6267
50 V B 0.0000
51 S B 0.0000
52 A B 0.0000
53 I B 0.0000
54 S B 0.0000
55 R B -2.4370
56 Q B -2.3687
58 D B -2.7602
59 D B -2.2219
60 S B -1.5815
61 H B -0.9343
62 Y B 0.0000
63 Y B -1.2395
64 A B -1.5308
65 D B -2.3888
66 S B -1.5960
67 V B 0.0000
68 K B -2.6589
69 G B -1.7864
70 R B -1.3755
71 F B 0.0000
72 T B -0.8798
73 I B 0.0000
74 S B -0.6805
75 R B -1.5470
76 D B -2.2586
77 N B -2.7983
78 S B -2.2306
79 K B -3.0109
80 N B -2.7230
81 T B 0.0000
82 V B 0.0000
83 Y B -0.6343
84 L B 0.0000
85 Q B -1.2814
86 M B 0.0000
87 N B -1.2463
88 S B -1.1412
89 L B 0.0000
90 R B -2.2627
91 A B -1.7407
92 E B -2.2143
93 D B 0.0000
94 T B -0.6745
95 A B 0.0000
96 T B 0.0000
97 Y B 0.0000
98 Y B 0.0000
99 C B 0.0000
100 A B 0.0000
101 E B 0.0000
102 W B 0.0000
103 M B 0.0000
104 N B 0.0000
105 T B 0.0000
106 R B -1.7216
107 R B -1.1180
108 E B -0.7527
109 F B -0.0165
110 I B 0.0000
111 T B -0.3559
112 P B 0.0000
113 Y B 0.0000
114 W B -0.0665
115 G B 0.0000
116 Q B -0.5287
117 G B 0.0000
118 T B -0.5662
119 Q B -0.1785
120 V B 0.0000
121 T B -0.0765
122 V B 0.0000
123 S B -0.7487
124 S B -0.3975
106 G C -1.6344
107 K C -2.3725
108 P C -0.9193
109 I C 0.0000
110 P C 0.0070
111 N C 0.0000
112 P C 0.1207
113 L C 0.0000
114 L C 0.6007
115 G C 0.0169
116 L C -0.5257
117 D C -1.5612
118 S C -1.0736
119 T C -0.6160
4 V D 1.0597
5 Q D -0.6091
6 L D 0.0000
7 Q D -1.0817
8 A D 0.0000
9 S D -0.8863
10 G D -0.9863
11 G D -0.4143
12 G D 0.5098
13 F D 1.4654
14 V D 0.0000
15 Q D -1.3468
16 P D -1.6042
17 G D -1.3791
18 G D -0.8913
19 S D -1.1526
20 L D -0.7485
21 R D -1.8136
22 L D 0.0000
23 S D -0.7318
24 C D 0.0000
25 A D -1.1253
26 A D -0.9567
27 S D -0.8462
28 G D -1.1698
29 T D -0.5019
30 T D -0.1814
31 S D -0.3062
32 F D 0.3313
33 G D -0.2805
34 D D 0.0000
35 T D 0.0000
36 M D 0.0000
37 G D 0.0000
38 W D 0.0000
39 F D 0.0000
40 R D 0.0000
41 Q D 0.0000
42 A D -1.3679
43 P D -1.0514
44 G D -1.8437
45 K D -3.1755
46 E D -3.3243
47 R D -2.3734
48 E D -1.4252
49 F D -0.5294
50 V D 0.0000
51 S D 0.0000
52 A D 0.0000
53 I D 0.0000
54 S D 0.0000
55 R D -2.5756
56 Q D -2.5671
58 D D -2.8763
59 D D -2.3700
60 S D -1.6942
61 H D -0.7829
62 Y D 0.0000
63 Y D -1.2216
64 A D -1.5128
65 D D -2.3558
66 S D -1.5464
67 V D 0.0000
68 K D -2.5867
69 G D -1.6936
70 R D -1.1943
71 F D 0.0000
72 T D -0.8263
73 I D 0.0000
74 S D -0.7081
75 R D -1.5756
76 D D -2.2700
77 N D -2.7574
78 S D -2.2082
79 K D -2.9277
80 N D -2.4901
81 T D 0.0000
82 V D 0.0000
83 Y D -0.6369
84 L D 0.0000
85 Q D -1.2047
86 M D 0.0000
87 N D -1.1861
88 S D -1.1553
89 L D 0.0000
90 R D -2.3241
91 A D -1.7636
92 E D -2.2341
93 D D 0.0000
94 T D -0.7037
95 A D 0.0000
96 T D 0.0000
97 Y D 0.0000
98 Y D 0.0000
99 C D 0.0000
100 A D 0.0000
101 E D 0.0000
102 W D 0.0000
103 M D -0.3938
104 N D 0.0000
105 T D 0.0000
106 R D -1.6754
107 R D -1.0631
108 E D -0.6648
109 F D 0.1810
110 I D 0.0000
111 T D -0.3055
112 P D 0.0000
113 Y D 0.0000
114 W D -0.1134
115 G D 0.0000
116 Q D -0.4958
117 G D 0.0000
118 T D -0.5870
119 Q D -0.2456
120 V D 0.0000
121 T D 0.0000
122 V D 0.0000
123 S D -0.7188
124 S D -0.3996
106 G F -1.6451
107 K F -2.3560
108 P F -0.8632
109 I F 0.0000
110 P F 0.0961
111 N F 0.0000
112 P F 0.1742
113 L F 0.0000
114 L F 0.6855
115 G F 0.0686
116 L F -0.4558
117 D F -1.5430
118 S F -1.1054
119 T F -0.6463
4 V G 1.0350
5 Q G -0.7183
6 L G 0.0000
7 Q G -1.4160
8 A G 0.0000
9 S G -1.0114
10 G G -1.0534
11 G G -0.4370
12 G G 0.5244
13 F G 1.4913
14 V G 0.0000
15 Q G -1.3942
16 P G -1.8774
17 G G -1.4106
18 G G -0.9021
19 S G -1.2047
20 L G -0.8151
21 R G -1.9544
22 L G 0.0000
23 S G -0.8203
24 C G 0.0000
25 A G -1.4742
26 A G -1.1416
27 S G -0.9265
28 G G -1.3438
29 T G -0.5213
30 T G -0.1537
31 S G 0.0510
32 F G 0.8346
33 G G -0.2151
34 D G -1.2960
35 T G 0.0000
36 M G 0.0000
37 G G 0.0000
38 W G 0.0000
39 F G 0.0000
40 R G 0.0000
41 Q G 0.0000
42 A G -1.4307
43 P G -1.0878
44 G G -1.9016
45 K G -3.2426
46 E G -3.4622
47 R G -2.7106
48 E G -1.6075
49 F G -0.6266
50 V G 0.0000
51 S G 0.0000
52 A G 0.0000
53 I G 0.0000
54 S G 0.0000
55 R G -2.8859
58 D G -2.6339
59 D G -2.2362
60 S G -1.5970
61 H G -1.0682
62 Y G 0.0000
63 Y G -1.2340
64 A G -1.5132
65 D G -2.3593
66 S G -1.7618
67 V G 0.0000
68 K G -2.5208
69 G G -1.7091
70 R G -1.3035
71 F G 0.0000
72 T G -0.8663
73 I G 0.0000
74 S G -0.7880
75 R G -1.7614
76 D G -2.5101
77 N G -2.9440
78 S G -2.3300
79 K G -3.0941
80 N G -2.7953
81 T G 0.0000
82 V G 0.0000
83 Y G -0.7368
84 L G 0.0000
85 Q G -1.3211
86 M G 0.0000
87 N G -1.2650
88 S G -1.1814
89 L G 0.0000
90 R G -2.5408
91 A G -1.8765
92 E G -2.3258
93 D G 0.0000
94 T G -0.7039
95 A G 0.0000
96 T G 0.0000
97 Y G 0.0000
98 Y G 0.0000
99 C G 0.0000
100 A G 0.0000
101 E G 0.0000
102 W G 0.0000
103 M G 0.3121
104 N G -0.7956
105 T G -1.3194
106 R G -2.5100
107 R G -2.9835
108 E G -2.2007
109 F G -0.3748
110 I G 0.0000
111 T G 0.0098
112 P G 0.0000
113 Y G 0.4565
114 W G 0.1016
115 G G 0.0000
116 Q G -0.6524
117 G G 0.0000
118 T G -0.6343
119 Q G -0.1961
120 V G 0.0000
121 T G -0.1019
122 V G 0.0000
123 S G -0.7973
124 S G -0.3985
106 G H -1.2684
107 K H -2.0541
108 P H -0.9528
109 I H 0.0000
110 P H -0.2229
111 N H 0.0000
112 P H -0.0853
113 L H 0.0000
114 L H 0.2284
115 G H -0.0396
116 L H -0.6413
117 D H -1.6470
118 S H -1.1757
119 T H -0.6670
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Laboratory of Theory of Biopolymers 2018