Project name: 2b71781eb2fb6f0

Status: done

Started: 2026-07-28 19:38:08
Settings
Chain sequence(s) A: EIVLTQSPGTLSLSPGERATLSCRASQSVSSSYLAWYQQKPGQAPRLLIYGASSRATGIPDRFSGSGSGTDFTLTISRLEPEDFAVYYCQQYGSSPCTFGQGTRLEIKWSH
H: EVQLVESGGDLVQPGGSLRLSCAASGFTFSSYWMSWVRQAPGKGLEWVANIKQDGSEKYYVDSVKGRFTISRDNAKNSLYLQMNSLRAEDTAVYYCARDRGSLYYWGQGTLVTVSSH
C: RTVMVNLNSSDYYNRSTSPWNLHRNEDPERYPSVIWEAKCRHLGCINADGNVDYHMNSVPIQQEILVLRREPPPNSFRLEKILVSVGCTCVTPIVHH
B: EVQLVESGGGLVQPGGSLRLSCAASGFTFSNYWMNWVRQAPGKGLEWVAAINQDGSEKYYVGSVKGRFTISRDNAKNSLYLQMNSLRVEDTAVYYCVRDYYDILTDYYIHYWYFDLWGRGTLVTVSSH
L: AIQLTQSPSSLSASVGDRVTITCRPSQGINWELAWYQQKPGKAPKLLIYDASSLENGVPSRFSGSGSGTDFTLTISSLQPEDFATYYCQQFNSYPLTFGGGTKVE
input PDB
Selected Chain(s) A,H,C,B,L
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                                          (00:04:41)
[INFO]       Main:     Simulation completed successfully.                                          (00:04:46)
Show buried residues

Minimal score value
-3.2812
Maximal score value
2.5511
Average score
-0.5259
Total score value
-293.4545

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 E A -1.6744
2 I A 0.0000
3 V A 0.7127
4 L A 0.0000
5 T A -0.6216
6 Q A 0.0000
7 S A -0.8428
8 P A -0.5500
9 G A -0.8814
10 T A -0.7620
11 L A -0.4212
12 S A -0.3488
13 L A -0.9133
14 S A 0.0000
15 P A -1.7534
16 G A -2.5235
17 E A -2.9111
18 R A -3.1203
19 A A 0.0000
20 T A -0.5479
21 L A 0.0000
22 S A -0.8544
23 C A 0.0000
24 R A -2.1297
25 A A -1.0870
26 S A -0.9253
27 Q A -1.6671
28 S A -1.4139
29 V A 0.0000
30 S A -0.7100
31 S A -0.3054
32 S A -0.3064
33 Y A 0.2984
34 L A 0.0000
35 A A 0.0000
36 W A 0.0000
37 Y A 0.0000
38 Q A 0.0000
39 Q A 0.0000
40 K A -1.4849
41 P A -0.8966
42 G A -1.5538
43 Q A -2.3296
44 A A -1.7520
45 P A 0.0000
46 R A -1.9053
47 L A 0.0000
48 L A 0.0000
49 I A 0.0000
50 Y A 0.0685
51 G A -0.1872
52 A A 0.0000
53 S A -0.6113
54 S A -0.7068
55 R A -1.5800
56 A A -0.9412
57 T A -0.6587
58 G A -0.9056
59 I A 0.0000
60 P A -1.3939
61 D A -2.2426
62 R A -1.8158
63 F A 0.0000
64 S A -0.9939
65 G A -0.5173
66 S A -0.6455
67 G A -1.0330
68 S A -0.9699
69 G A -1.1114
70 T A -1.6422
71 D A -2.0358
72 F A 0.0000
73 T A -0.7166
74 L A 0.0000
75 T A -0.5757
76 I A 0.0000
77 S A 0.0000
78 R A -3.2812
79 L A 0.0000
80 E A -2.4878
81 P A -1.7349
82 E A -2.0082
83 D A 0.0000
84 F A -0.1616
85 A A 0.0000
86 V A -0.4150
87 Y A 0.0000
88 Y A 0.0000
89 C A 0.0000
90 Q A 0.0000
91 Q A 0.0000
92 Y A 0.0000
93 G A -0.2787
94 S A 0.0000
95 S A -0.7693
96 P A -0.4982
97 C A 0.0000
98 T A -0.1983
99 F A 0.0447
100 G A 0.0000
101 Q A -1.2622
102 G A 0.0000
103 T A 0.0000
104 R A -1.1028
105 L A 0.0000
106 E A -1.1553
107 I A -0.9363
108 K A -1.0911
109 W A 0.2117
110 S A -0.4074
111 H A -0.9710
1 E B -1.9827
2 V B -1.0425
3 Q B -1.3201
4 L B 0.0000
5 V B 0.2036
6 E B 0.0000
7 S B -0.4053
8 G B -0.7276
9 G B 0.1211
10 G B 0.6841
11 L B 1.4209
12 V B 0.0706
13 Q B -1.2011
14 P B -1.0805
15 G B -1.1920
16 G B -0.9360
17 S B -1.1669
18 L B -0.7277
19 R B -1.6625
20 L B 0.0000
21 S B -0.4142
22 C B 0.0000
23 A B -0.3556
24 A B 0.0000
25 S B -0.8478
26 G B -1.1161
27 F B -0.4942
28 T B -0.2912
29 F B 0.0000
30 S B -1.0618
31 N B -0.7963
32 Y B -0.3998
33 W B 0.0000
34 M B 0.0000
35 N B 0.0000
36 W B 0.0000
37 V B 0.0000
38 R B 0.0000
39 Q B -0.7379
40 A B -1.0945
41 P B -0.7896
42 G B -1.4026
43 K B -2.3547
44 G B -1.5813
45 L B 0.0000
46 E B -1.2502
47 W B 0.0000
48 V B 0.0000
49 A B 0.0000
50 A B 0.0000
51 I B 0.0000
52 N B 0.0000
53 Q B -1.5036
54 D B -2.3355
55 G B -1.6198
56 S B -1.1712
57 E B -0.9928
58 K B -0.7442
59 Y B 0.0250
60 Y B -0.0874
61 V B -0.2136
62 G B -0.8628
63 S B -0.9904
64 V B 0.0000
65 K B -1.9398
66 G B -1.4778
67 R B 0.0000
68 F B 0.0000
69 T B -0.7508
70 I B 0.0000
71 S B -0.7504
72 R B -1.3005
73 D B -1.7616
74 N B -1.8469
75 A B -1.2991
76 K B -2.2501
77 N B -1.6880
78 S B -1.0609
79 L B 0.0000
80 Y B -0.4902
81 L B 0.0000
82 Q B -1.0446
83 M B 0.0000
84 N B -1.4374
85 S B -1.2542
86 L B 0.0000
87 R B -1.3576
88 V B 0.0884
89 E B -1.3775
90 D B 0.0000
91 T B 0.1442
92 A B 0.0000
93 V B 0.5135
94 Y B 0.0000
95 Y B 0.0000
96 C B 0.0000
97 V B 0.0000
98 R B -0.1652
99 D B 0.0000
100 Y B 0.4267
101 Y B 0.7622
102 D B 0.8748
103 I B 1.5889
104 L B 1.2576
105 T B -0.0300
106 D B -0.8627
107 Y B 0.2799
108 Y B 0.8077
109 I B 0.8228
110 H B 0.5014
111 Y B 0.4656
112 W B 0.2705
113 Y B 0.0000
114 F B 0.0000
115 D B -0.6084
116 L B -0.5020
117 W B 0.0000
118 G B 0.0000
119 R B -2.0750
120 G B -0.5912
121 T B 0.0000
122 L B 1.5228
123 V B 0.0000
124 T B 0.6592
125 V B 0.0000
126 S B -0.4976
127 S B -0.8938
128 H B -1.2913
43 R C -1.4741
44 T C 0.2768
45 V C 2.3112
46 M C 2.5011
47 V C 2.3920
48 N C 0.0093
49 L C 0.1110
50 N C -1.1043
63 S C 0.0873
64 S C 0.0136
65 D C 0.0000
66 Y C 0.7285
67 Y C -0.0940
68 N C -1.0106
69 R C -0.6949
70 S C -0.2039
71 T C -0.4130
72 S C 0.0000
73 P C 0.0000
74 W C -0.7835
75 N C -1.2421
76 L C -0.3543
77 H C -0.9053
78 R C 0.0000
79 N C -0.7770
80 E C -0.6858
81 D C -0.7812
82 P C 0.0000
83 E C -0.9311
84 R C 0.0000
85 Y C 0.2540
86 P C 0.0489
87 S C 0.0000
88 V C 0.0000
89 I C 0.0000
90 W C -0.2482
91 E C -0.5474
92 A C 0.0000
93 K C -1.5626
94 C C -0.6591
95 R C -0.9749
96 H C 0.1597
97 L C 1.5831
98 G C 0.0000
99 C C 0.0000
100 I C -0.3882
101 N C -0.9713
102 A C -1.1249
103 D C -1.8076
104 G C -1.4138
105 N C -1.4127
106 V C -0.0804
107 D C 0.0541
108 Y C 0.9159
109 H C -0.3167
110 M C 0.7947
111 N C 0.6783
112 S C 0.0000
113 V C 0.6675
114 P C 0.0039
115 I C 0.1967
116 Q C -0.9506
117 Q C -1.7153
118 E C -1.7598
119 I C -0.1552
120 L C 1.1919
121 V C 0.0000
122 L C -0.2292
123 R C -1.4014
124 R C 0.0000
125 E C -1.9633
126 P C -1.5202
127 P C -1.1956
130 P C -1.2547
131 N C -1.5703
132 S C -1.2734
133 F C -0.6582
134 R C -1.7028
135 L C 0.2551
136 E C -0.5749
137 K C -1.1510
138 I C -0.1211
139 L C 0.4597
140 V C 0.0000
141 S C 0.0000
142 V C 0.8266
143 G C 0.0000
144 C C 0.0000
145 T C 0.5300
146 C C 0.8095
147 V C 1.3356
148 T C 1.1394
149 P C 1.0219
150 I C 2.5511
151 V C 2.0357
152 H C -0.1050
153 H C -0.7434
1 E H -2.1995
2 V H -1.4055
3 Q H -1.5023
4 L H 0.0000
5 V H 0.6116
6 E H 0.0000
7 S H -0.5185
8 G H -1.1916
9 G H -0.7103
10 D H -1.2917
11 L H 0.3451
12 V H 0.0000
13 Q H -1.8034
14 P H -1.6455
15 G H -1.4139
16 G H -0.9898
17 S H -1.3409
18 L H -1.3797
19 R H -2.5011
20 L H 0.0000
21 S H -0.5581
22 C H 0.0000
23 A H -0.2666
24 A H 0.0000
25 S H -1.0191
26 G H -1.3717
27 F H -0.6592
28 T H -0.2550
29 F H 0.0000
30 S H -1.0701
31 S H -0.5899
32 Y H -0.4479
33 W H 0.0000
34 M H 0.0000
35 S H 0.0000
36 W H 0.0000
37 V H 0.0000
38 R H 0.0000
39 Q H -0.6487
40 A H -1.0728
41 P H -0.8515
42 G H -1.4848
43 K H -2.2519
44 G H -1.3822
45 L H 0.0000
46 E H -0.8099
47 W H 0.0000
48 V H 0.0000
49 A H 0.0000
50 N H 0.0000
51 I H 0.0000
52 K H -1.7318
53 Q H -1.7944
54 D H -2.5517
55 G H -1.9736
56 S H -1.5517
57 E H -1.6572
58 K H -1.0759
59 Y H -0.3839
60 Y H -0.6686
61 V H 0.0000
62 D H -2.2719
63 S H -1.6891
64 V H 0.0000
65 K H -2.4210
66 G H -1.5937
67 R H 0.0000
68 F H 0.0000
69 T H -0.9667
70 I H 0.0000
71 S H -0.9705
72 R H -1.4864
73 D H -2.0194
74 N H -2.0310
75 A H -1.4380
76 K H -2.3774
77 N H -1.8787
78 S H 0.0000
79 L H 0.0000
80 Y H 0.0000
81 L H 0.0000
82 Q H -1.6055
83 M H 0.0000
84 N H -1.3667
85 S H -1.1946
86 L H 0.0000
87 R H -2.3220
88 A H -1.7580
89 E H -2.2453
90 D H 0.0000
91 T H -0.4258
92 A H 0.0000
93 V H 0.5959
94 Y H 0.0000
95 Y H 0.0000
96 C H 0.0000
97 A H 0.0000
98 R H 0.0000
99 D H 0.0000
100 R H -0.4109
101 G H 0.0000
102 S H 0.0000
103 L H 0.0000
104 Y H 0.1072
105 Y H 0.0431
106 W H -0.3608
107 G H 0.0000
108 Q H -1.4712
109 G H -0.3471
110 T H 0.1828
111 L H 1.0508
112 V H 0.0000
113 T H -0.2217
114 V H 0.0000
115 S H -0.9709
116 S H -1.0175
117 H H -1.3116
1 A L -0.5166
2 I L 0.0000
3 Q L -1.6701
4 L L 0.0000
5 T L -1.2555
6 Q L -0.7294
7 S L -0.5534
8 P L -0.5064
9 S L -0.6838
10 S L -0.9640
11 L L -0.7304
12 S L -1.0083
13 A L -0.6836
14 S L -0.2912
15 V L 0.6466
16 G L -0.6005
17 D L -1.5353
18 R L -2.2262
19 V L 0.0000
20 T L -0.6008
21 I L 0.0000
22 T L -0.9056
23 C L 0.0000
24 R L -2.5781
25 P L 0.0000
26 S L -1.5654
27 Q L -1.7983
28 G L -1.6976
29 I L 0.0000
30 N L -0.8230
31 W L 0.0000
32 E L 0.0000
33 L L 0.0000
34 A L 0.0000
35 W L 0.0000
36 Y L 0.0000
37 Q L 0.0000
38 Q L 0.0000
39 K L -1.5486
40 P L -1.1909
41 G L -1.6436
42 K L -2.5456
43 A L -1.5840
44 P L 0.0000
45 K L -1.3004
46 L L 0.0000
47 L L 0.0000
48 I L 0.0000
49 Y L 0.2121
50 D L 0.0000
51 A L 0.0000
52 S L -0.4055
53 S L 0.0513
54 L L 0.3737
55 E L 0.0000
56 N L -0.2286
57 G L -0.7953
58 V L -0.5390
59 P L -0.5970
60 S L -0.5161
61 R L -0.7039
62 F L 0.0000
63 S L -0.2548
64 G L -0.2905
65 S L -0.7967
66 G L -1.4104
67 S L -1.3890
68 G L -1.5669
69 T L -2.0724
70 D L -2.5843
71 F L 0.0000
72 T L -0.8701
73 L L 0.0000
74 T L -0.6021
75 I L 0.0000
76 S L -1.2780
77 S L -0.9647
78 L L 0.0000
79 Q L -0.6915
80 P L -0.9929
81 E L -1.7415
82 D L 0.0000
83 F L -0.8855
84 A L 0.0000
85 T L -0.8034
86 Y L 0.0000
87 Y L 0.0000
88 C L 0.0000
89 Q L 0.0000
90 Q L 0.0000
91 F L 0.0000
92 N L -0.2926
93 S L 0.0508
94 Y L 0.4423
95 P L 0.0444
96 L L 0.0000
97 T L -0.2908
98 F L -0.3152
99 G L 0.0000
100 G L -1.0564
101 G L -0.8716
102 T L 0.0000
103 K L -1.4778
104 V L 0.0000
105 E L -1.9837
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Laboratory of Theory of Biopolymers 2018