Project name: 7V5N

Status: done

Started: 2026-03-29 08:24:06
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Chain sequence(s) H: EVQLVESGGGLVQPGGSLRLSCAASGYTFTNYGMNWVRQAPGKGLEWVGWINTYTGEPTYAADFKRRFTFSLDTSKSTAYLQMNSLRAEDTAVYYCAKYPHYYGSSHWYFDVWGQGTLVTVSS
L: DIQMTQSPSSLSASVGDRVTITCSASQDISNYLNWYQQKPGKAPKVLIYFTSSLHSGVPSRFSGSGSGTDFTLTISSLQPEDFATYYCQQYSTVPWTFGQGTKVEIK
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                                          (00:01:00)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:01)
Show buried residues

Minimal score value
-3.2327
Maximal score value
1.5986
Average score
-0.5167
Total score value
-118.8401

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 -1.9447
2 V H -0.8979
3 Q H -0.9904
4 L H 0.0000
5 V H 1.1427
6 E H 0.0000
7 S H -0.2210
8 G H -0.5555
9 G H 0.1040
11 G H 0.7532
12 L H 1.3283
13 V H -0.0570
14 Q H -1.3114
15 P H -1.3708
16 G H -1.4187
17 G H -1.1794
18 S H -1.1796
19 L H -0.8889
20 R H -1.8592
21 L H 0.0000
22 S H -0.2498
23 C H 0.0000
24 A H 0.0889
25 A H 0.0000
26 S H -0.7685
27 G H -1.0669
28 Y H -0.5636
29 T H -0.3961
30 F H 0.0000
35 T H -0.1131
36 N H -0.9772
37 Y H -0.3326
38 G H 0.0000
39 M 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 -0.7509
45 A H -1.0743
46 P H -0.8136
47 G H -1.4787
48 K H -2.3729
49 G H -1.6481
50 L H 0.0000
51 E H -1.4081
52 W H 0.0000
53 V H 0.0000
54 G H 0.0000
55 W H -0.1137
56 I H 0.0000
57 N H -0.6227
58 T H 0.0000
59 Y H 0.6392
62 T H -0.1269
63 G H -0.7927
64 E H -1.8115
65 P H -1.0781
66 T H -0.4984
67 Y H -0.7706
68 A H 0.0000
69 A H -1.6610
70 D H -2.7071
71 F H 0.0000
72 K H -3.1554
74 R H -3.2327
75 R H -2.2202
76 F H 0.0000
77 T H -1.0825
78 F H 0.0000
79 S H -0.3830
80 L H -0.2290
81 D H -0.8385
82 T H -0.6531
83 S H -1.1330
84 K H -1.9236
85 S H -1.0109
86 T H 0.0000
87 A H 0.0000
88 Y H -0.3475
89 L H 0.0000
90 Q H -1.1576
91 M H 0.0000
92 N H -1.4848
93 S H -1.4155
94 L H 0.0000
95 R H -2.2222
96 A H -1.6470
97 E H -2.1832
98 D H 0.0000
99 T H -0.3645
100 A H 0.0000
101 V H 0.7245
102 Y H 0.0000
103 Y H 0.0000
104 C H 0.0000
105 A H 0.0000
106 K H 0.0000
107 Y H 0.0000
108 P H 0.0000
109 H H -0.2243
110 Y H 0.8877
111 Y H 1.2289
111A G H 0.2097
112B S H -0.0384
112A S H 0.1672
112 H H 0.4165
113 W H 0.3667
114 Y H 0.0000
115 F H 0.0000
116 D H -0.3480
117 V H -0.0898
118 W H 0.0000
119 G H 0.0000
120 Q H -1.2993
121 G H -0.3393
122 T H 0.0000
123 L H 1.5986
124 V H 0.0000
125 T H 0.3229
126 V H 0.0000
127 S H -0.4809
128 S H -0.5358
1 D L -1.9764
2 I L 0.0000
3 Q L -1.9876
4 M L 0.0000
5 T L -0.8778
6 Q L 0.0000
7 S L -0.5476
8 P L -0.5093
9 S L -0.7965
10 S L -0.9534
11 L L -0.7616
12 S L -0.9305
13 A L -0.9362
14 S L -0.7354
15 V L 0.3014
16 G L -0.6211
17 D L -1.7216
18 R L -2.2344
19 V L 0.0000
20 T L -0.6264
21 I L 0.0000
22 T L -0.5796
23 C L 0.0000
24 S L -1.4727
25 A L 0.0000
26 S L -1.9337
27 Q L -2.5855
28 D L -2.6700
29 I L 0.0000
36 S L -1.0188
37 N L -0.3641
38 Y L 0.5990
39 L L 0.0000
40 N L 0.0000
41 W L 0.0000
42 Y L 0.0000
43 Q L -0.7011
44 Q L -1.1016
45 K L -1.4001
46 P L -1.1332
47 G L -1.6707
48 K L -2.5447
49 A L -1.5165
50 P L 0.0000
51 K L -1.1430
52 V L 0.0000
53 L L 0.0000
54 I L 0.0000
55 Y L 0.7356
56 F L 1.0138
57 T L 0.0000
65 S L 0.0316
66 S L 0.3128
67 L L 0.4310
68 H L -0.1781
69 S L -0.3553
70 G L -0.4918
71 V L -0.2702
72 P L -0.3495
74 S L -0.4146
75 R L -0.8172
76 F L 0.0000
77 S L -0.3169
78 G L 0.0000
79 S L -0.6495
80 G L -1.0152
83 S L -1.1770
84 G L -1.7474
85 T L -2.0975
86 D L -2.4641
87 F L 0.0000
88 T L -0.6415
89 L L 0.0000
90 T L -0.6025
91 I L 0.0000
92 S L -1.3398
93 S L -1.1757
94 L L 0.0000
95 Q L -0.6702
96 P L -0.8194
97 E L -1.1426
98 D L 0.0000
99 F L -0.2034
100 A L 0.0000
101 T L -0.8146
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 Y L 0.0000
108 S L -0.0344
109 T L 0.2724
114 V L 0.8324
115 P L 0.1365
116 W L 0.0000
117 T L -0.7550
118 F L 0.0000
119 G L 0.0000
120 Q L -1.5701
121 G L 0.0000
122 T L 0.0000
123 K L -1.4295
124 V L 0.0000
125 E L -1.4171
126 I L -0.8296
127 K L -1.5332
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Laboratory of Theory of Biopolymers 2018