Project name: 560

Status: done

Started: 2025-06-25 13:30:24
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Chain sequence(s) H: EVQLLESGGGLVQPGGSLRLSCAASGSTYSANCMGWFRQAPGKERELASMSIRSGRTYYADSVKGRFTISRDSSKNTLYLQMNSLKAEDTAVYYCAAAYGGSRCVYNYRGQGTLVTVSS
input PDB
Selected Chain(s) H
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 H 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                                          (00:00:35)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:36)
Show buried residues

Minimal score value
-2.9318
Maximal score value
1.7387
Average score
-0.6043
Total score value
-71.9094

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 -2.2515
2 V H 0.0000
3 Q H -1.4682
4 L H -0.1068
5 L H 0.9449
6 E H 0.0000
7 S H -0.1109
8 G H -0.6460
9 G H 0.1766
11 G H 0.7611
12 L H 1.5037
13 V H -0.0465
14 Q H -1.4198
15 P H -1.7452
16 G H -1.5435
17 G H -0.9938
18 S H -1.0335
19 L H -0.7075
20 R H -1.8603
21 L H 0.0000
22 S H -0.2892
23 C H 0.0000
24 A H -0.2130
25 A H 0.0000
26 S H -1.2228
27 G H -1.2612
28 S H -0.8616
29 T H -0.0355
30 Y H 1.1546
35 S H 0.0804
36 A H -0.1806
37 N H 0.0000
38 C H -0.3440
39 M H 0.0000
40 G H 0.0000
41 W H 0.0000
42 F H 0.0000
43 R H 0.0000
44 Q H -1.0699
45 A H 0.0000
46 P H -1.2006
47 G H -1.5976
48 K H -2.4249
49 E H -2.9318
50 R H -1.9446
51 E H -0.9652
53 L H 0.6322
54 A H 0.2812
55 S H 0.5956
56 M H 0.0000
57 S H -0.7425
58 I H 0.0000
59 R H -2.2469
62 S H -1.8515
63 G H -2.0520
64 R H -2.2410
65 T H -0.6736
66 Y H 0.4827
67 Y H -0.0140
68 A H -0.7011
69 D H -2.1208
70 S H -1.5984
71 V H 0.0000
72 K H -1.7209
74 G H -1.4134
75 R H -1.5761
76 F H 0.0000
77 T H -0.6150
78 I H 0.0000
79 S H -0.6972
80 R H -1.1890
81 D H -1.5496
82 S H -1.4980
83 S H -1.5548
84 K H -2.4848
85 N H -2.0495
86 T H -1.0801
87 L H 0.0000
88 Y H -0.4361
89 L H 0.0000
90 Q H -1.1814
91 M H 0.0000
92 N H -1.3760
93 S H -1.3394
94 L H 0.0000
95 K H -2.7157
96 A H -1.9197
97 E H -2.3497
98 D H 0.0000
99 T H -0.4600
100 A H 0.0000
101 V H 0.6636
102 Y H 0.0000
103 Y H 0.2006
104 C H 0.0000
105 A H 0.0000
106 A H 0.0000
107 A H 0.0000
108 Y H 0.0087
109 G H -0.5650
110 G H -0.9279
111 S H -0.7661
112 R H -1.0707
113 C H 0.1652
114 V H 0.7819
115 Y H 0.0195
116 N H -0.8476
117 Y H -1.0762
118 R H -1.2382
119 G H 0.0000
120 Q H -0.9795
121 G H 0.0000
122 T H 0.6491
123 L H 1.7387
124 V H 0.0000
125 T H 0.3325
126 V H 0.0000
127 S H -0.7937
128 S H -0.8931
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Laboratory of Theory of Biopolymers 2018