Project name: Tilvestamab

Status: done

Started: 2026-03-23 04:16:49
Settings
Chain sequence(s) H: EVQLVESGGGLVQPGGSLRLSCAASGYSFTDFYINWVRQAPGKGLEWVARIFPGGDNTYYNEKFKGRFTLSADTSKSTAYLQMNSLRAEDTAVYYCARRGLYYAMDYWGQGTLVTVSS
L: DIQMTQSPSSLSASVGDRVTITCRSSQSLVHSNGIPYLHWYQQKPGKAPKLLIYRVSNRFSGVPSRFSGSGSGTDFTLTISSLQPEDFATYYCSQGTHVPPTFGQGTKVEIK
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                                          (00:01:44)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:45)
Show buried residues

Minimal score value
-3.429
Maximal score value
1.8925
Average score
-0.596
Total score value
-137.0915

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 H -2.1051
2 V H -1.2450
3 Q H -1.2442
4 L H 0.0000
5 V H 0.4123
6 E H 0.0000
7 S H -0.3423
8 G H -0.6320
9 G H 0.1128
11 G H 0.8250
12 L H 1.3776
13 V H -0.0018
14 Q H -1.2370
15 P H -1.2448
16 G H -1.1707
17 G H -0.9794
18 S H -1.1050
19 L H -0.8994
20 R H -1.9348
21 L H 0.0000
22 S H -0.4040
23 C H 0.0000
24 A H -0.1911
25 A H -0.4064
26 S H -0.9542
27 G H -1.2566
28 Y H -0.7409
29 S H -0.7429
30 F H 0.0000
35 T H -1.0541
36 D H -1.2639
37 F H -0.0358
38 Y H -0.0861
39 I H 0.0000
40 N H 0.0000
41 W H 0.0000
42 V H 0.0000
43 R H 0.0000
44 Q H -0.5595
45 A H -0.9754
46 P H -0.7989
47 G H -1.4481
48 K H -2.3001
49 G H -1.4677
50 L H 0.0000
51 E H -0.7571
52 W H 0.0000
53 V H 0.0000
54 A H 0.0000
55 R H -0.4066
56 I H 0.0000
57 F H -0.9634
58 P H 0.0000
59 G H -1.4780
62 G H -1.7064
63 D H -2.5741
64 N H -2.1371
65 T H -0.9454
66 Y H -0.2828
67 Y H -0.8268
68 N H -1.8296
69 E H -3.4290
70 K H -3.1646
71 F H 0.0000
72 K H -3.0541
74 G H -1.9802
75 R H -1.6252
76 F H 0.0000
77 T H -0.8519
78 L H 0.0000
79 S H -0.6532
80 A H -0.7830
81 D H -1.1367
82 T H -0.9850
83 S H -1.1510
84 K H -1.9409
85 S H -1.0852
86 T H 0.0000
87 A H 0.0000
88 Y H -0.4793
89 L H 0.0000
90 Q H -1.1930
91 M H 0.0000
92 N H -1.2362
93 S H -1.0800
94 L H 0.0000
95 R H -2.2553
96 A H -1.6689
97 E H -2.2181
98 D H 0.0000
99 T H -0.3577
100 A H 0.0000
101 V H 0.7181
102 Y H 0.0000
103 Y H 0.0000
104 C H 0.0000
105 A H 0.0000
106 R H 0.0000
107 R H 0.4785
108 G H 0.0000
109 L H 1.8925
110 Y H 1.5901
113 Y H 1.4556
114 A H 0.0000
115 M H 0.0000
116 D H 0.0912
117 Y H -0.3193
118 W H -0.5700
119 G H 0.0000
120 Q H -1.2123
121 G H -0.3448
122 T H 0.4844
123 L H 1.4773
124 V H 0.0000
125 T H 0.3459
126 V H 0.0000
127 S H -0.4686
128 S H -0.4259
1 D L -2.2136
2 I L 0.0000
3 Q L -2.2742
4 M L 0.0000
5 T L -1.3922
6 Q L 0.0000
7 S L -0.7166
8 P L -0.5536
9 S L -0.7493
10 S L -0.8079
11 L L -0.6381
12 S L -0.9006
13 A L -1.0160
14 S L -0.8107
15 V L 0.0469
16 G L -0.8207
17 D L -1.8728
18 R L -2.3514
19 V L 0.0000
20 T L -0.6458
21 I L 0.0000
22 T L -0.7987
23 C L 0.0000
24 R L -2.7260
25 S L 0.0000
26 S L -1.9287
27 Q L -2.0393
28 S L -0.9738
29 L L 0.0000
30 V L 0.1696
31 H L -0.5839
32 S L -0.8518
34 N L -1.4208
35 G L -0.7663
36 I L -0.0322
37 P L -0.0249
38 Y L 0.0000
39 L L 0.0000
40 H L 0.0000
41 W L 0.0000
42 Y L 0.0000
43 Q L 0.0000
44 Q L 0.0000
45 K L -1.6007
46 P L -1.1326
47 G L -1.6350
48 K L -2.6405
49 A L -1.6881
50 P L 0.0000
51 K L -1.8616
52 L L 0.0000
53 L L 0.0000
54 I L 0.0000
55 Y L -0.0728
56 R L -0.2500
57 V L 0.0000
65 S L -0.9415
66 N L -1.3207
67 R L -1.4512
68 F L -0.6859
69 S L -0.5617
70 G L -0.6071
71 V L -0.6887
72 P L -0.4940
74 S L -0.6496
75 R L -0.8046
76 F L 0.0000
77 S L -0.6896
78 G L 0.0000
79 S L -0.7161
80 G L -1.0100
83 S L -0.6788
84 G L -0.7397
85 T L -1.4711
86 D L -2.0225
87 F L 0.0000
88 T L -0.7019
89 L L 0.0000
90 T L -0.6048
91 I L 0.0000
92 S L -1.5152
93 S L -1.3481
94 L L 0.0000
95 Q L -0.9678
96 P L -1.0592
97 E L -1.5239
98 D L 0.0000
99 F L -0.3064
100 A L 0.0000
101 T L -0.6447
102 Y L 0.0000
103 Y L 0.0000
104 C L 0.0000
105 S L 0.0000
106 Q L 0.0000
107 G L 0.2958
108 T L 0.3306
109 H L -0.0608
114 V L 1.2043
115 P L 0.1227
116 P L 0.0000
117 T L -0.5062
118 F L -0.3614
119 G L 0.0000
120 Q L -1.5215
121 G L 0.0000
122 T L 0.0000
123 K L -1.1717
124 V L 0.0000
125 E L -1.2089
126 I L -0.7582
127 K L -1.5341
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Laboratory of Theory of Biopolymers 2018