Project name: IL10_WT_automut

Status: done

Started: 2026-04-21 20:24:10
Settings
Chain sequence(s) L: CTHFPGNLPNMLRDLRDAFSRVKTFFQMKDQLDNLLLKESLLEDFKGYLGCQALSEMIQFYLEEVMPQAENQDPDIKAHVNSLGENLKTLRLRLRRCHRFLPCENKSKAVEQVKNAFNKLQEKGIYKAMSEFDIFINYIEAYMTM
input PDB
Selected Chain(s) 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 L 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                                          (00:03:19)
[INFO]       Main:     Simulation completed successfully.                                          (00:03:20)
Show buried residues

Minimal score value
-3.9831
Maximal score value
2.6837
Average score
-1.1022
Total score value
-159.8146

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
12 C L -0.4701
13 T L -0.5503
14 H L -1.4606
15 F L -0.8439
16 P L -0.7918
17 G L -1.2778
18 N L -1.5619
19 L L -1.3007
20 P L -1.7035
21 N L -2.5443
22 M L -2.2310
23 L L -2.3096
24 R L -3.9831
25 D L -3.7985
26 L L -2.7890
27 R L -3.7408
28 D L -3.9677
29 A L 0.0000
30 F L -1.9057
31 S L -2.0796
32 R L -2.6440
33 V L 0.0000
34 K L -1.8124
35 T L -0.9935
36 F L -0.8144
37 F L -1.0814
38 Q L -1.7893
39 M L -0.9569
40 K L -2.2696
41 D L -2.8542
42 Q L -2.2483
43 L L -0.7929
44 D L -1.7806
45 N L -1.0828
46 L L 0.4221
47 L L 1.3119
48 L L 0.6006
49 K L -1.5851
50 E L -2.2132
51 S L -1.9559
52 L L -0.9394
53 L L -1.0953
54 E L -2.5211
55 D L -1.4046
56 F L -0.6194
57 K L -1.5951
58 G L -0.6152
59 Y L 0.8401
60 L L 0.5809
61 G L -0.1003
62 C L -0.3665
63 Q L -1.0100
64 A L 0.0000
65 L L -0.1622
66 S L -1.0944
67 E L -1.8363
68 M L -0.8224
69 I L 0.0000
70 Q L -1.4444
71 F L -0.7337
72 Y L -0.4799
73 L L -1.6066
74 E L -2.3177
75 E L -2.1208
76 V L -0.6982
77 M L 0.0000
78 P L -2.0971
79 Q L -2.5823
80 A L -2.1958
81 E L 0.0000
82 N L -3.1603
83 Q L -2.9726
84 D L -2.8497
85 P L -2.6215
86 D L -2.7815
87 I L 0.0000
88 K L -2.9150
89 A L -1.7479
90 H L -1.8584
91 V L 0.0000
92 N L -2.2918
93 S L -1.7470
94 L L -1.9768
95 G L 0.0000
96 E L -2.5859
97 N L -2.2711
98 L L -1.3231
99 K L -1.8294
100 T L -1.2715
101 L L 0.0000
102 R L -1.0834
103 L L -0.7517
104 R L -1.1621
105 L L 0.0000
106 R L -2.1155
107 R L -2.5992
108 C L 0.0000
109 H L -2.6006
110 R L -2.3940
111 F L -0.9562
112 L L 0.0000
113 P L -1.7517
114 C L -0.8374
115 E L -1.4361
116 N L -2.5355
117 K L -2.5025
118 S L -1.8039
119 K L -2.3881
120 A L -1.0701
121 V L -0.5759
122 E L -1.7610
123 Q L -1.6951
124 V L -0.8471
125 K L -2.1436
126 N L -2.1850
127 A L -1.4002
128 F L -1.4521
129 N L -2.7700
130 K L -2.8206
131 L L -1.8985
132 Q L -2.5780
133 E L -2.6030
134 K L -2.1821
135 G L 0.0000
136 I L 1.3212
137 Y L 0.7634
138 K L -0.3719
139 A L 0.9758
140 M L 1.8136
141 S L 0.4766
142 E L -0.0502
143 F L 1.8634
144 D L 0.4417
145 I L 2.0696
146 F L 2.6837
147 I L 1.3284
148 N L 0.3644
149 Y L 2.0317
150 I L 1.3688
151 E L 0.0044
152 A L 0.8491
153 Y L 1.9452
154 M L 1.5998
155 T L 1.1437
156 M L 1.5542
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Laboratory of Theory of Biopolymers 2018