Project name: 7e897ce9a0c794d

Status: done

Started: 2025-02-19 17:52:35
Settings
Chain sequence(s) A: MASNQNQASYHAGETKARTEEKTGQVMGATKDKAGQTTEATKQKAGQTTEATKQKAGETAEATKQKAGQATEATKQKAGETAEATKQKAAEAKDKTAQTAQAAKERAAETKDQTGSYLGEKTEMAKQKAAETTEAAKQKASETAQYTKESAVAGKDKTGSVLQQAGETVVNAVVGAKDAVANTLGMGGDNATKDTTTGATTKDTTTTTTRNH
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                                          (00:04:21)
[INFO]       Main:     Simulation completed successfully.                                          (00:04:22)
Show buried residues

Minimal score value
-4.684
Maximal score value
1.7286
Average score
-2.2844
Total score value
-484.2999

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 M A 0.8266
2 A A -0.2220
3 S A -1.2945
4 N A -2.4427
5 Q A -2.6936
6 N A -2.6848
7 Q A -2.3094
8 A A -1.3942
9 S A -0.9581
10 Y A -0.2571
11 H A -1.2567
12 A A -0.9937
13 G A -1.4533
14 E A -1.9772
15 T A -2.2669
16 K A -3.5053
17 A A -3.4468
18 R A -4.3577
19 T A -3.7325
20 E A -4.5603
21 E A -4.6840
22 K A -3.9152
23 T A -2.4931
24 G A -2.4781
25 Q A -2.3310
26 V A -0.6464
27 M A -0.8261
28 G A -1.6171
29 A A -1.5649
30 T A -1.7853
31 K A -3.2192
32 D A -3.7305
33 K A -3.7420
34 A A -2.7259
35 G A -3.0115
36 Q A -3.4128
37 T A -2.3571
38 T A -2.3592
39 E A -3.3823
40 A A -2.5653
41 T A -2.5600
42 K A -3.7171
43 Q A -3.6550
44 K A -3.6953
45 A A -2.6695
46 G A -2.7347
47 Q A -3.3080
48 T A -2.4756
49 T A -2.5839
50 E A -3.7022
51 A A -2.7242
52 T A -2.8464
53 K A -3.9341
54 Q A -3.9191
55 K A -3.9699
56 A A -2.8998
57 G A -3.0376
58 E A -3.9430
59 T A -2.7819
60 A A -2.7411
61 E A -3.9759
62 A A -2.9020
63 T A -2.9094
64 K A -3.9317
65 Q A -3.9254
66 K A -3.7027
67 A A -2.6587
68 G A -2.8765
69 Q A -3.1731
70 A A -2.2639
71 T A -2.3598
72 E A -3.4040
73 A A -2.5100
74 T A -2.7008
75 K A -3.8023
76 Q A -3.8340
77 K A -3.9158
78 A A -2.8794
79 G A -3.2195
80 E A -3.9097
81 T A -2.7153
82 A A -2.6255
83 E A -3.7134
84 A A -2.7458
85 T A -3.0094
86 K A -3.8444
87 Q A -3.9595
88 K A -4.1014
89 A A -3.6712
90 A A -3.6518
91 E A -4.6373
92 A A -3.7844
93 K A -4.2296
94 D A -4.5763
95 K A -4.0777
96 T A -3.2258
97 A A -2.6491
98 Q A -2.9939
99 T A -2.4342
100 A A -2.4667
101 Q A -2.7783
102 A A -2.3702
103 A A -3.0558
104 K A -3.8219
105 E A -4.3848
106 R A -4.2191
107 A A -3.8563
108 A A -3.7525
109 E A -4.5509
110 T A -3.5847
111 K A -4.0223
112 D A -3.8537
113 Q A -3.1537
114 T A -1.8033
115 G A -1.5573
116 S A -0.4513
117 Y A 0.3328
118 L A -1.2272
119 G A -1.9500
120 E A -2.8906
121 K A -2.9513
122 T A -3.0931
123 E A -3.6552
124 M A -2.2778
125 A A -2.3957
126 K A -3.4537
127 Q A -3.3252
128 K A -3.3359
129 A A -2.9449
130 A A -2.5161
131 E A -3.6431
132 T A -2.5842
133 T A -2.7489
134 E A -3.7796
135 A A -2.7264
136 A A -3.1056
137 K A -3.8432
138 Q A -3.6580
139 K A -3.6562
140 A A -2.7061
141 S A -2.3945
142 E A -2.8862
143 T A -1.9032
144 A A -1.7255
145 Q A -2.4317
146 Y A -0.7141
147 T A -1.2125
148 K A -2.3326
149 E A -2.0587
150 S A -1.1065
151 A A -1.0009
152 V A -0.5396
153 A A -1.7762
154 G A -2.1060
155 K A -2.7610
156 D A -3.0458
157 K A -2.5066
158 T A -1.3634
159 G A -1.6828
160 S A -1.0326
161 V A 0.5697
162 L A 0.5180
163 Q A -1.0349
164 Q A -1.0865
165 A A 0.0385
166 G A -0.3839
167 E A -1.3578
168 T A -0.0462
169 V A 1.7172
170 V A 1.7119
171 N A 0.3026
172 A A 0.9792
173 V A 1.7286
174 V A 1.0906
175 G A -0.0854
176 A A -0.1584
177 K A -1.4735
178 D A -1.9586
179 A A -0.5899
180 V A 0.6309
181 A A -0.2113
182 N A -0.9175
183 T A 0.4210
184 L A 1.6346
185 G A 0.5541
186 M A 0.5563
187 G A -0.7174
188 G A -1.6116
189 D A -2.6539
190 N A -2.4934
191 A A -1.6062
192 T A -1.9216
193 K A -2.7702
194 D A -2.7021
195 T A -1.4197
196 T A -0.8616
197 T A -0.5225
198 G A -0.5104
199 A A -0.4258
200 T A -0.8067
201 T A -1.4160
202 K A -2.6634
203 D A -2.7130
204 T A -1.4514
205 T A -0.7961
206 T A -0.1748
207 T A -0.1728
208 T A -0.5943
209 T A -1.3781
210 R A -2.7050
211 N A -2.6914
212 H A -2.0452
Download PDB file
View in 3Dmol
Play the video

Laboratory of Theory of Biopolymers 2018