Project name: clone35

Status: done

Started: 2026-07-28 07:02:15
Settings
Chain sequence(s) H: QVQLQESGPGLVKPSETLSLTCTVPRGSIRSYYWSWIRQPPRKGLEWIGYVHDGGRVTYNPSLTSRVTMSVDTSKDQFSLKLRSVTAADTAVYYCARQRGVREDYIFRYYGMDVWGPGTTVIVSS
L: DIQLTQSPSFLSASVGDRVTITCRASQTISKYLNWYQQKLGKAPQLLIYEASTLQSGVPSRFSGGGSGTDFSLTINSLQPDDFAVYYCQQSDTTPYTFGQGTKLDVR
input PDB
Selected Chain(s) H,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]                                                (00:00:00)
[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 minimalization                                        (00:00:00)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:00:58)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:59)
Show buried residues

Minimal score value
-2.9776
Maximal score value
1.7078
Average score
-0.5208
Total score value
-120.822

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 Q H -1.6927
2 V H -1.3210
3 Q H -1.5126
4 L H 0.0000
5 Q H -1.1788
6 E H 0.0000
7 S H -0.7212
8 G H -0.4736
9 P H 0.1095
11 G H 0.5848
12 L H 1.2549
13 V H 0.0000
14 K H -1.8405
15 P H -1.4216
16 S H -1.6439
17 E H -2.2922
18 T H -1.7612
19 L H 0.0000
20 S H -0.9512
21 L H 0.0000
22 T H -0.5849
23 C H 0.0000
24 T H -1.0408
25 V H 0.0000
26 P H -1.6683
27 R H -2.4703
28 G H -1.9174
29 S H -1.4677
30 I H 0.0000
35 R H -1.6743
36 S H -0.8565
37 Y H -0.1365
38 Y H 0.0000
39 W H 0.0000
40 S H 0.0000
41 W H 0.0000
42 I H 0.0000
43 R H 0.0000
44 Q H -0.9685
45 P H -1.1031
46 P H -1.6400
47 R H -2.8344
48 K H -2.9776
49 G H -1.7936
50 L H 0.0000
51 E H -0.6781
52 W H 0.0000
53 I H 0.0000
54 G H 0.0000
55 Y H 0.0000
56 V H 0.0000
57 H H -1.2193
58 D H -1.6490
59 G H -1.5711
63 G H -1.5992
64 R H -2.0517
65 V H -0.4733
66 T H -0.0268
67 Y H 0.2415
68 N H 0.0000
69 P H -0.5434
70 S H -0.4358
71 L H 0.0000
72 T H -0.3434
74 S H -0.6077
75 R H -1.0604
76 V H 0.0000
77 T H -0.5964
78 M H 0.0000
79 S H -0.7254
80 V H -0.9949
81 D H -1.5854
82 T H -1.6119
83 S H -1.4881
84 K H -2.2578
85 D H -2.0342
86 Q H -1.5431
87 F H 0.0000
88 S H -0.5740
89 L H 0.0000
90 K H -1.4655
91 L H 0.0000
92 R H -1.8223
93 S H -1.4895
94 V H 0.0000
95 T H -0.5898
96 A H -0.0510
97 A H 0.1599
98 D H 0.0000
99 T H 0.5861
100 A H 0.0000
101 V H 0.3388
102 Y H 0.0000
103 Y H 0.0000
104 C H 0.0000
105 A H 0.0000
106 R H -0.1900
107 Q H 0.0000
108 R H 0.0524
109 G H 0.4606
110 V H 0.7797
111 R H -0.7389
111A E H -1.7380
111B D H -1.2164
111C Y H 0.5404
112C I H 1.2071
112B F H 0.4795
112A R H -0.1873
112 Y H -0.0093
113 Y H 0.1468
114 G H 0.0000
115 M H 0.0000
116 D H -0.4108
117 V H -0.4038
118 W H 0.0000
119 G H 0.0000
120 P H -1.0250
121 G H -0.6634
122 T H -0.3153
123 T H 0.3258
124 V H 0.0000
125 I H 1.2974
126 V H 0.0000
127 S H -0.2266
128 S H -0.5963
1 D L -2.2452
2 I L 0.0000
3 Q L -2.2459
4 L L 0.0000
5 T L -1.3949
6 Q L 0.0000
7 S L -0.3018
8 P L 0.3553
9 S L 0.5087
10 F L 1.7078
11 L L 0.7891
12 S L -0.0897
13 A L 0.0000
14 S L -0.5803
15 V L 0.2254
16 G L -0.6727
17 D L -1.4249
18 R L -2.2581
19 V L 0.0000
20 T L -0.5789
21 I L 0.0000
22 T L -0.8252
23 C L 0.0000
24 R L -2.7240
25 A L 0.0000
26 S L -1.8735
27 Q L -1.8482
28 T L -1.1904
29 I L 0.0000
36 S L -1.0568
37 K L -1.5890
38 Y L -0.8173
39 L L 0.0000
40 N L 0.0000
41 W L 0.0000
42 Y L 0.0000
43 Q L 0.0000
44 Q L -0.6578
45 K L -0.6784
46 L L 0.6763
47 G L -0.6857
48 K L -1.8838
49 A L 0.0000
50 P L 0.0000
51 Q L -1.5202
52 L L 0.0000
53 L L 0.0000
54 I L 0.0000
55 Y L -0.1630
56 E L -0.7598
57 A L 0.0000
65 S L -0.4444
66 T L -0.0966
67 L L 0.1949
68 Q L -0.2301
69 S L -0.3597
70 G L -0.4726
71 V L -0.2488
72 P L -0.3010
74 S L -0.4299
75 R L -0.8333
76 F L 0.0000
77 S L -0.3213
78 G L -0.3055
79 G L -0.8401
80 G L -1.2402
83 S L -1.3085
84 G L -1.2270
85 T L -1.7177
86 D L -2.1798
87 F L 0.0000
88 S L -0.7614
89 L L 0.0000
90 T L 0.0000
91 I L 0.0000
92 N L -1.6314
93 S L -1.2086
94 L L 0.0000
95 Q L -1.0233
96 P L -0.9261
97 D L -1.6521
98 D L 0.0000
99 F L 0.2337
100 A L 0.0000
101 V L 0.4139
102 Y L 0.0000
103 Y L 0.0000
104 C L 0.0000
105 Q L 0.0000
106 Q L 0.0000
107 S L 0.0000
108 D L -0.7332
109 T L -0.6110
114 T L -0.4048
115 P L 0.0000
116 Y L -0.4038
117 T L -0.7551
118 F L 0.0000
119 G L 0.0000
120 Q L -1.4448
121 G L 0.0000
122 T L 0.0000
123 K L 0.1663
124 L L 0.0000
125 D L -0.0303
126 V L -0.2798
127 R L -1.4169
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Laboratory of Theory of Biopolymers 2018