Project name: WT_Ivonne3M

Status: done

Started: 2025-02-21 19:32:37
Settings
Chain sequence(s) A: MAVGFLSNTTSSGDTWIDGYRCMNATVTKAAKVENGFKFTGPGSRATWPVNSRWDIKQYGFVDYNFTIVAMATIHQVPSESTPLLGASLRGNKRTKLIGLSYGAGGKWETVYDGTKTVQGGTWEPGREYQVALMLQDGNKGFVYVDGVLVGNPAMLPTPEERWTEFSHFYFGGDEGDSGSDATLTDVFLYNR
input PDB
Selected Chain(s) A
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 A 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                                          (00:02:19)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:20)
Show buried residues

Aggrescan3D profile | WT_Ivonne3M | Chain AM1G13T26T40D55T73K93G114P125F142M155S167D186-4-2024ResidueScore
Minimal score value
-3.5017
Maximal score value
1.2441
Average score
-0.7491
Total score value
-143.8182

The table below lists A3D score for protein residues. Residues with A3D score > 0.0000 are marked by yellow rows.

Show chain Show residues from to
residue index residue name chain Aggrescan3D score mutation
residue index
residue name
chain
Aggrescan3D score
mutation
1 M A 0.7825
2 A A 0.6005
3 V A 0.5042
4 G A 0.0000
5 F A 0.2026
6 L A 0.0000
7 S A -1.2128
8 N A -1.9705
9 T A -1.7088
10 T A -1.0343
11 S A -1.0063
12 S A -1.1323
13 G A -1.7759
14 D A -2.5249
15 T A -1.5352
16 W A 0.0000
17 I A -0.8499
18 D A 0.0000
19 G A -0.3057
20 Y A 0.3215
21 R A -1.2367
22 C A -0.3802
23 M A -0.4773
24 N A -1.1864
25 A A 0.0000
26 T A -0.8004
27 V A 0.0000
28 T A -1.4740
29 K A -2.3791
30 A A -1.7595
31 A A -1.4581
32 K A -2.6685
33 V A -1.6151
34 E A -2.5574
35 N A -2.1077
36 G A 0.0000
37 F A 0.0000
38 K A -1.2967
39 F A 0.0000
40 T A -0.9476
41 G A -1.2597
42 P A -2.0488
43 G A -1.8093
44 S A 0.0000
45 R A -1.2384
46 A A 0.0000
47 T A -0.3806
48 W A 0.0000
49 P A -0.3609
50 V A 0.0000
51 N A 0.0000
52 S A -1.4125
53 R A -1.7863
54 W A -0.3982
55 D A -1.1810
56 I A 0.0482
57 K A -1.5739
58 Q A -0.9774
59 Y A 0.0000
60 G A -0.3925
61 F A -0.1583
62 V A 0.0000
63 D A 0.0000
64 Y A -0.1468
65 N A -1.1400
66 F A 0.0000
67 T A 0.0000
68 I A 0.0000
69 V A 0.2319
70 A A 0.0000
71 M A -0.8575
72 A A 0.0000
73 T A -1.7085
74 I A 0.0000
75 H A -1.4418
76 Q A -1.0000
77 V A 0.3352
78 P A 0.0000
79 S A -1.2224
80 E A -2.2814
81 S A -1.1433
82 T A 0.0000
83 P A 0.0000
84 L A 0.0000
85 L A 0.0000
86 G A 0.0000
87 A A 0.0000
88 S A 0.0000
89 L A 0.0000
90 R A -2.1897
91 G A -2.3935
92 N A -2.8303
93 K A -3.4886
94 R A -3.5017
95 T A -2.5059
96 K A -1.8073
97 L A 0.0000
98 I A 0.0000
99 G A 0.0000
100 L A 0.0000
101 S A 0.0000
102 Y A 0.0000
103 G A 0.0000
104 A A -0.5356
105 G A -0.5914
106 G A -0.7672
107 K A -1.2554
108 W A 0.0000
109 E A 0.0000
110 T A 0.0000
111 V A 0.0000
112 Y A -0.8920
113 D A -1.7893
114 G A -2.0009
115 T A -1.3928
116 K A -1.1113
117 T A 0.1154
118 V A 0.9250
119 Q A -0.2720
120 G A -0.7567
121 G A -0.5295
122 T A -1.2215
123 W A 0.0000
124 E A -2.3132
125 P A -1.7851
126 G A -2.0795
127 R A -2.4540
128 E A -2.8898
129 Y A 0.0000
130 Q A -1.6591
131 V A 0.0000
132 A A 0.0000
133 L A 0.0000
134 M A -0.2658
135 L A 0.0000
136 Q A -1.5882
137 D A -2.1606
138 G A 0.0000
139 N A -0.8914
140 K A -0.8155
141 G A 0.0000
142 F A 0.1210
143 V A 0.0000
144 Y A 0.4967
145 V A 0.0000
146 D A -1.4489
147 G A -0.2689
148 V A 1.2441
149 L A 0.7395
150 V A 0.0000
151 G A -0.4297
152 N A -1.2349
153 P A -0.4297
154 A A -0.1569
155 M A 0.4434
156 L A 0.0000
157 P A -1.0215
158 T A -1.3283
159 P A -1.3115
160 E A -2.5228
161 E A -2.4985
162 R A -1.4784
163 W A -0.3911
164 T A -0.8828
165 E A -1.2130
166 F A 0.0000
167 S A -1.0307
168 H A -0.5164
169 F A 0.0000
170 Y A 0.0000
171 F A 0.0000
172 G A 0.0000
173 G A 0.0000
174 D A -1.8355
175 E A -2.9148
176 G A -2.6488
177 D A -2.9446
178 S A 0.0000
179 G A -1.4647
180 S A 0.0000
181 D A -0.6849
182 A A 0.0000
183 T A -0.6526
184 L A 0.0000
185 T A -0.9996
186 D A -1.2774
187 V A 0.0000
188 F A 0.6143
189 L A 0.0000
190 Y A -0.2744
191 N A -1.3870
192 R A -2.2403
residue index residue name chain Aggrescan3D score
mutation
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Laboratory of Theory of Biopolymers 2018