Project name: d092b2fae0fe28d [mutate: AG9H, GR47H, QR48H, VA55H, AV80H, YF103H, AS105H, QA120H, LS123H]

Status: done

Started: 2026-04-24 12:41:34
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Chain sequence(s) H: QVQLQQPGAELVKPGASVKMSCKASGYTFTSYNMHWVKQTPGQGLEWIGVIYSGNGDTSYNQKFKGKATLTADKSSSTAYMQINSLTSEDSAVYYCARERDTRFGNWGQGTLVTVSA
L: NIVLTQSPASLAVSLGLRATISCRASESVDIYGNSFMHWYQQKPGQPPKLLIYLASNLESGVPARFSGSGSRTDFTLTIDPVEADDAATYYCQQNNEDPYTFGGGTKLEIK
input PDB
Selected Chain(s) H,L
Distance of aggregation 10 Å
FoldX usage Yes
Dynamic mode No
Automated mutations No
Mutated residues AS105H,AG9H,LS123H,QA120H,GR47H,VA55H,AV80H,YF103H,QR48H
Energy difference between WT (input) and mutated protein (by FoldX) 1.332 kcal/mol

CAUTION: Your mutation/s can destabilize the protein structure

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Simulation log
[INFO]       Logger:   Verbosity set to: 2 - [INFO]                                                (00:00:02)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:02)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with all chain(s) selected           (00:00:02)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:02)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:02)
[INFO]       FoldX:    Building mutant model                                                       (00:01:20)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:05:37)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:06:49)
[INFO]       Main:     Simulation completed successfully.                                          (00:06:51)
Show buried residues

Minimal score value
-3.0738
Maximal score value
1.1396
Average score
-0.7295
Total score value
-166.3246

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 -1.3332
2 V H -0.8473
3 Q H -1.3167
4 L H 0.0000
5 Q H -1.3431
6 Q H -1.0050
7 P H -1.0265
8 G H -1.0465
9 G H -0.8567 mutated: AG9H
11 E H -0.7113
12 L H 0.6104
13 V H -0.4349
14 K H -1.6230
15 P H -1.3905
16 G H -1.1816
17 A H -0.9893
18 S H -1.0712
19 V H 0.0000
20 K H -1.2816
21 M H 0.0000
22 S H -0.6201
23 C H 0.0000
24 K H -1.3723
25 A H 0.0000
26 S H -0.9229
27 G H -0.8294
28 Y H -0.2879
29 T H -0.1812
30 F H 0.0000
35 T H -0.5994
36 S H -0.5197
37 Y H -0.7185
38 N H -0.9459
39 M H 0.0000
40 H H 0.0000
41 W H 0.0000
42 V H 0.0000
43 K H 0.0000
44 Q H -0.8393
45 T H -1.6304
46 P H -1.7072
47 R H -2.9484 mutated: GR47H
48 R H -3.0431 mutated: QR48H
49 G H -1.8340
50 L H 0.0000
51 E H -1.0257
52 W H 0.0000
53 I H 0.0000
54 G H 0.0000
55 A H 0.0000 mutated: VA55H
56 I H 0.0000
57 Y H -0.4782
58 S H 0.0000
59 G H -1.1764
62 N H -1.8605
63 G H -1.7315
64 D H -2.1489
65 T H -0.9819
66 S H -0.9081
67 Y H -1.2558
68 N H 0.0000
69 Q H -2.9539
70 K H -2.8802
71 F H 0.0000
72 K H -2.8335
74 G H -1.9263
75 K H -1.6783
76 A H 0.0000
77 T H -0.7316
78 L H 0.0000
79 T H -0.3749
80 V H -0.3293 mutated: AV80H
81 D H -1.0930
82 K H -1.3409
83 S H -0.8566
84 S H -0.7822
85 S H -0.8661
86 T H 0.0000
87 A H 0.0000
88 Y H -0.2181
89 M H 0.0000
90 Q H -0.8956
91 I H 0.0000
92 N H -0.9498
93 S H -0.9544
94 L H 0.0000
95 T H -1.3005
96 S H -1.4473
97 E H -1.9701
98 D H 0.0000
99 S H -0.6111
100 A H 0.0000
101 V H 0.1351
102 Y H 0.0000
103 F H 0.0000 mutated: YF103H
104 C H 0.0000
105 S H 0.0000 mutated: AS105H
106 R H 0.0000
107 E H -1.7735
108 R H -3.0738
109 D H -2.8363
113 T H -1.5223
114 R H -1.4806
115 F H 0.0000
116 G H -1.4854
117 N H -0.9354
118 W H -0.6072
119 G H 0.0000
120 A H -0.6423 mutated: QA120H
121 G H 0.0000
122 T H 0.0000
123 S H -0.3183 mutated: LS123H
124 V H 0.0000
125 T H -0.3068
126 V H 0.0000
127 S H -0.4209
128 A H -0.4371
1 N L -1.6261
2 I L 0.0000
3 V L 0.7869
4 L L 0.0000
5 T L -0.6505
6 Q L -0.7012
7 S L -0.6436
8 P L -0.4621
9 A L -0.5459
10 S L -0.9597
11 L L -0.5068
12 A L -0.8658
13 V L 0.0000
14 S L -0.4650
15 L L -0.0097
16 G L -0.4522
17 L L -0.0459
18 R L -1.9576
19 A L 0.0000
20 T L -0.7491
21 I L 0.0000
22 S L -0.9125
23 C L 0.0000
24 R L -2.5897
25 A L 0.0000
26 S L -1.2099
27 E L -2.1053
28 S L -1.9246
29 V L 0.0000
30 D L -0.9854
31 I L 0.5052
34 Y L 1.1396
35 G L -0.0926
36 N L -0.6926
37 S L -0.7535
38 F L -0.1957
39 M 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 -1.2636
45 K L -1.6348
46 P L -1.0965
47 G L -1.2955
48 Q L -1.8338
49 P L -1.0809
50 P L 0.0000
51 K L -1.5170
52 L L 0.0000
53 L L 0.0000
54 I L 0.0000
55 Y L -0.1507
56 L L -0.3118
57 A L 0.0000
65 S L -0.4616
66 N L -0.4534
67 L L 0.0284
68 E L -0.5559
69 S L -0.5662
70 G L -0.5710
71 V L 0.0000
72 P L -0.2816
74 A L -0.3805
75 R L -1.2939
76 F L 0.0000
77 S L -0.5654
78 G L -0.3525
79 S L -0.7401
80 G L -1.4292
83 S L -2.0038
84 R L -2.9152
85 T L -2.6017
86 D L -2.6178
87 F L 0.0000
88 T L -0.7976
89 L L 0.0000
90 T L -1.0110
91 I L 0.0000
92 D L -2.4104
93 P L -1.6441
94 V L 0.0000
95 E L -1.8306
96 A L -1.5170
97 D L -2.1332
98 D L 0.0000
99 A L -1.6584
100 A L 0.0000
101 T L -1.1233
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 N L -0.6172
108 N L -0.9707
109 E L -1.6050
114 D L -2.1572
115 P L 0.0000
116 Y L -0.6283
117 T L -0.2628
118 F L 0.0000
119 G L 0.0000
120 G L -1.1214
121 G L -0.7437
122 T L 0.0000
123 K L -1.9143
124 L L 0.0000
125 E L -1.9623
126 I L -1.1348
127 K L -1.3508
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Laboratory of Theory of Biopolymers 2018