Project name: a2bf18d6b18e220

Status: done

Started: 2024-04-25 06:43:27
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Chain sequence(s) H: EVQLQESGPGLVKPSQSLSLTCTVTGYLITSDIVWTWIRQFPDNTLEWMGYITYSGSTGYNPSLNGRISVTRDTSKSQFFLQLNSVTSEDTATYYCVYGHFYSMDYWGQGTSVTVSS
L: SPVTLFVTPGHSVSLSCRASQSISSNLHWYQQESHESPRLLIKYASQSISGIPSRFSGSGSGTDFTLSINSVETEDFGLYFCQQSYSWPLTFGAGTKLELK
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]                                                (00:00:07)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:07)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with all chain(s) selected           (00:00:07)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:07)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:07)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:00:47)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:49)
Show buried residues

Minimal score value
-2.5627
Maximal score value
1.9942
Average score
-0.4105
Total score value
-89.4964

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 -1.9811
2 V H -0.8179
3 Q H -1.4326
4 L H -0.9212
5 Q H -1.6901
6 E H 0.0000
7 S H -0.7639
8 G H -0.5927
9 P H -0.3101
11 G H -0.1528
12 L H 0.5686
13 V H 0.0000
14 K H -1.0273
15 P H -1.3149
16 S H -1.2224
17 Q H -1.6748
18 S H -1.3736
19 L H 0.0000
20 S H -0.7153
21 L H 0.0000
22 T H -0.5040
23 C H 0.0000
24 T H -1.0124
25 V H 0.0000
26 T H -0.8395
27 G H -0.8167
28 Y H 0.1619
29 L H 0.8407
30 I H 0.0000
31 T H 0.2660
35 S H 0.0189
36 D H -0.3456
37 I H 0.0000
38 V H 0.0000
39 W H 0.0000
40 T H 0.0000
41 W H 0.0000
42 I H 0.0000
43 R H 0.0000
44 Q H -0.5282
45 F H -0.8382
46 P H -1.3300
47 D H -2.0392
48 N H -1.3421
49 T H -0.8295
50 L H 0.0000
51 E H -0.2138
52 W H 0.0000
53 M H 0.0000
54 G H 0.0000
55 Y H 0.2333
56 I H 0.0000
57 T H -0.0328
58 Y H 0.3357
59 S H -0.1951
63 G H -0.2685
64 S H -0.2590
65 T H -0.0715
66 G H -0.0211
67 Y H -0.1104
68 N H 0.0000
69 P H -0.7401
70 S H -0.8001
71 L H 0.0000
72 N H -1.7321
74 G H -1.4277
75 R H -1.4588
76 I H 0.0000
77 S H -0.6583
78 V H 0.0000
79 T H -0.3789
80 R H -0.8821
81 D H -1.2791
82 T H -0.9764
83 S H -1.2961
84 K H -2.0027
85 S H -0.9735
86 Q H -1.0335
87 F H 0.0000
88 F H -0.1148
89 L H 0.0000
90 Q H -0.8319
91 L H 0.0000
92 N H -1.4740
93 S H -1.2493
94 V H 0.0000
95 T H -1.2713
96 S H -1.3040
97 E H -1.9293
98 D H 0.0000
99 T H -0.6379
100 A H 0.0000
101 T H -0.3708
102 Y H 0.0000
103 Y H 0.0000
104 C H 0.0000
105 V H 0.0000
106 Y H 0.1964
107 G H 0.0000
108 H H 0.2590
109 F H 1.3925
113 Y H 1.4935
114 S H 0.0000
115 M H 0.0000
116 D H -0.1472
117 Y H 0.1149
118 W H -0.4700
119 G H 0.0000
120 Q H -1.9456
121 G H -1.2722
122 T H -0.7984
123 S H -0.2931
124 V H 0.0000
125 T H -0.2332
126 V H 0.0000
127 S H -0.5597
128 S H -0.4557
7 S L -0.0620
8 P L 0.3272
9 V L 1.8816
10 T L 1.4409
11 L L 1.6027
12 F L 1.9942
13 V L 0.5932
14 T L -0.4993
15 P L -1.3043
16 G L -1.7153
17 H L -1.8683
18 S L -1.6443
19 V L 0.0000
20 S L -0.5791
21 L L 0.0000
22 S L -0.9641
23 C L 0.0000
24 R L -2.5627
25 A L -1.6992
26 S L -1.3468
27 Q L -1.6611
28 S L -1.1493
29 I L 0.0000
36 S L -0.3696
37 S L -0.1771
38 N L 0.5424
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 E L -1.4366
46 S L -1.2347
47 H L -2.0008
48 E L -2.3250
49 S L -1.3999
50 P L 0.0000
51 R L -0.7618
52 L L 0.0000
53 L L 0.0000
54 I L 0.0000
55 K L -0.3093
56 Y L 0.1624
57 A L 0.0000
65 S L -0.8772
66 Q L -1.2709
67 S L -0.6925
68 I L -0.3897
69 S L -0.3806
70 G L -0.3985
71 I L -0.1203
72 P L -0.2496
74 S L -0.5843
75 R L -1.1204
76 F L 0.0000
77 S L -0.8845
78 G L -0.6498
79 S L -0.7471
80 G L -0.9436
83 S L -0.9326
84 G L -1.1588
85 T L -1.6409
86 D L -1.9831
87 F L 0.0000
88 T L -0.8448
89 L L 0.0000
90 S L -0.7346
91 I L 0.0000
92 N L -2.1118
93 S L -1.8937
94 V L 0.0000
95 E L -2.5229
96 T L -1.2506
97 E L -1.7034
98 D L 0.0000
99 F L -0.1020
100 G L 0.0000
101 L L -0.0877
102 Y L 0.0000
103 F L 0.0000
104 C L 0.0000
105 Q L 0.0000
106 Q L 0.4607
107 S L 1.2021
108 Y L 1.4435
109 S L 0.8089
114 W L 1.1269
115 P L 0.6159
116 L L 0.7237
117 T L 0.2621
118 F L 0.0200
119 G L -0.5052
120 A L -0.3238
121 G L 0.0000
122 T L 0.2964
123 K L 0.5926
124 L L 0.0000
125 E L 0.5704
126 L L 1.0731
127 K L -0.3571
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Laboratory of Theory of Biopolymers 2018