Project name: 11b8a66b238bafb

Status: done

Started: 2025-02-25 14:27:47
Settings
Chain sequence(s) A: LIKENNMRMMKVVLEGSVNGHQQFKCTGEGEGNNPYMGTQTMMRIKVIEGGPLPFAFDILATSFAAASRTFIKYPKGIPDFFKQSSFPEGFTWEERVTRYEDGGVIITVMQDTSLEDGCCLVYHHAQVVRGVNFPSNNGAVMQKKTKGWEPNTEMMMYPADGGLRGYTTHMALKVDGGGHLLSCSSFVTTYRSKKTVGNIKMPGIHAVSHRLERLEESDNNEMMFVVQRREHHAVAKFAGLGGG
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]                                                (00:00:01)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:01)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with A chain(s) selected             (00:00:01)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:01)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:01)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:03:09)
[INFO]       Main:     Simulation completed successfully.                                          (00:03:10)
Show buried residues

Aggrescan3D profile | 11b8a66b238bafb | Chain AL4M36K81C114P142H169R198G223-4-2024ResidueScore
Minimal score value
-3.1675
Maximal score value
1.2468
Average score
-0.7815
Total score value
-172.7203

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
4 L A 0.8412
5 I A -0.6644
6 K A -2.6084
7 E A -2.8088
8 N A -2.9750
9 M A 0.0000
10 R A -2.3551
11 M A 0.0000
12 K A -1.9152
13 V A 0.0000
14 V A -0.5115
15 L A 0.0000
16 E A -1.5611
17 G A -1.8223
18 S A 0.0000
19 V A 0.0000
20 N A -1.3449
21 G A -1.4444
22 H A -1.4607
23 Q A -2.3537
24 F A 0.0000
25 K A -1.3174
26 C A 0.0000
27 T A -0.6462
28 G A 0.0000
29 E A -1.9141
30 G A 0.0000
31 E A -1.8979
32 G A 0.0000
33 N A -1.4816
34 P A 0.0000
35 Y A 0.2494
36 M A 0.5850
37 G A 0.0000
38 T A -0.6269
39 Q A 0.0000
40 T A -1.3394
41 M A 0.0000
42 R A -1.6036
43 I A 0.0000
44 K A -0.6412
45 V A 0.0000
46 I A 0.6366
47 E A -1.5645
48 G A -1.2540
49 G A -0.9690
50 P A -0.7175
51 L A 0.0000
52 P A -0.6679
53 F A 0.0000
54 A A 0.0000
55 F A 0.0000
56 D A 0.0000
57 I A 0.0000
58 L A 0.0000
59 A A 0.0000
60 T A -0.0186
61 S A 0.0000
62 F A 0.0000
66 S A -0.0345
67 R A 0.0000
68 T A 0.0000
69 F A 0.0000
70 I A 0.0000
71 K A -0.1363
72 Y A -0.5789
73 P A -1.0026
74 K A -2.1019
75 G A -1.2925
76 I A 0.0000
77 P A -1.0121
78 D A -0.8626
79 F A 0.0000
80 F A 0.0000
81 K A -0.0095
82 Q A -0.8151
83 S A 0.0000
84 F A 0.0000
85 P A -0.4146
86 E A -0.9887
87 G A 0.0000
88 F A 0.0000
89 T A -1.1048
90 W A 0.0000
91 E A -0.4938
92 R A 0.0000
93 V A 0.2225
94 T A 0.0000
95 R A -2.3412
96 Y A 0.0000
97 E A -2.6552
98 D A -2.0209
99 G A -1.5871
100 G A 0.0000
101 V A -0.9454
102 I A 0.0000
103 T A -0.5091
104 V A 0.0000
105 M A -0.3646
106 Q A 0.0000
107 D A -1.2212
108 T A 0.0000
109 S A -1.0344
110 L A -1.0539
111 E A -2.8483
112 D A -2.7846
113 G A -1.8995
114 C A -1.6086
115 L A 0.0000
116 V A -1.2001
117 Y A 0.0000
118 H A -0.8701
119 A A 0.0000
120 Q A -1.7999
121 V A 0.0000
122 R A -2.0666
123 G A 0.0000
124 V A -0.1469
125 N A -1.1736
126 F A 0.0000
127 P A -1.1085
128 S A -1.2876
129 N A -1.8040
130 G A -1.2932
131 A A -1.8245
132 V A 0.0000
133 M A -1.1714
134 Q A -1.7672
135 K A -2.1545
136 K A -2.7755
137 T A -2.4678
138 K A -2.9984
139 G A -1.6465
140 W A 0.0000
141 E A -1.5968
142 P A -1.3433
143 N A -0.9766
144 T A -0.5325
145 E A 0.0000
146 M A 0.4339
147 M A 0.0000
148 Y A 0.2191
149 P A -0.5421
150 A A -1.2827
151 D A -2.2755
152 G A -1.9451
153 G A -1.6410
154 L A 0.0000
155 R A -0.8644
156 G A 0.0000
157 Y A 0.6255
158 T A 0.0000
159 H A -1.0369
160 M A 0.0000
161 A A -1.0623
162 L A 0.0000
163 K A -2.3684
164 V A -2.4819
165 D A -3.1675
166 G A -2.0731
167 G A -1.8491
168 G A -1.6296
169 H A -1.9225
170 L A -0.9957
171 S A -1.5100
172 C A 0.0000
173 S A -0.9683
174 F A 0.0000
175 V A 0.4181
176 T A 0.0000
177 T A -0.5349
178 Y A 0.0000
179 R A -2.6038
180 S A -1.5420
181 K A -1.3229
182 K A -0.9000
183 T A 0.0197
184 V A 0.9806
185 G A -0.4574
186 N A -1.4709
187 I A -1.2356
188 K A -1.9518
189 M A -0.9643
190 P A 0.0000
191 G A -0.0351
192 I A 0.5846
193 H A 0.0000
194 A A 0.0000
195 V A 0.0000
196 S A -0.7398
197 H A 0.0000
198 R A -2.2290
199 L A -1.7111
200 E A -1.9412
201 R A -1.8809
202 L A -1.2889
203 E A -2.6997
204 E A -3.0694
205 S A -2.2913
206 D A -2.5435
207 N A -2.0164
208 E A -1.8505
209 M A -0.6761
210 F A -0.7540
211 V A 0.0000
212 V A 0.0000
213 Q A 0.0000
214 R A -2.3491
215 E A -1.8173
216 H A -1.3491
217 A A 0.0000
218 V A -0.1138
219 A A 0.0000
220 K A -0.6132
221 F A 1.2468
222 A A 0.6276
223 G A 0.4562
224 L A 1.1820
225 G A 0.4027
226 G A 0.5136
227 G A -0.1836
residue index residue name chain Aggrescan3D score
mutation
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Laboratory of Theory of Biopolymers 2018