Project name: 4fd85ec67f0894e

Status: done

Started: 2025-02-19 14:54:57
Settings
Chain sequence(s) A: VLFSRGSGQSDDSDIWDDTALIKAYDKAVASFKTALKGEEEDEPEAATSKKNQPGKKRKNNKKNQSRKRANAPPDKEWQVGDSCSAYWSEDGQLYAATISFIDEKRGTCIVVFTGYGNEEEQNLEDLLSEISEGDEETNTKVKETESSTEESDRSTTPNQHKQQPHSKPQKSDDEALSSVLISWYMSGYHTGYYMGLKQGRKE
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                                          (00:02:40)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:41)
Show buried residues

Aggrescan3D profile | 4fd85ec67f0894e | Chain AV1L21E41N61D82T108S132S152D173M195-4-2024ResidueScore
Minimal score value
-4.4219
Maximal score value
3.1036
Average score
-1.5591
Total score value
-316.5001

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 V A 3.0625
2 L A 3.1036
3 F A 2.5336
4 S A 0.3951
5 R A -1.5749
6 G A -1.5900
7 S A -1.4724
8 G A -1.9300
9 Q A -2.4853
10 S A -2.3590
11 D A -3.5187
12 D A -3.5721
13 S A -2.1035
14 D A -1.6512
15 I A 1.0112
16 W A 0.7458
17 D A -1.0611
18 D A -1.4114
19 T A -1.0001
20 A A -0.8777
21 L A 0.6181
22 I A 0.8718
23 K A -0.7886
24 A A -0.0929
25 Y A 0.7865
26 D A -1.0784
27 K A -1.5226
28 A A 0.1178
29 V A 0.8078
30 A A 0.0854
31 S A 0.2885
32 F A 1.5106
33 K A -0.1268
34 T A -0.3442
35 A A 0.2277
36 L A 0.4298
37 K A -1.9139
38 G A -2.4533
39 E A -3.5115
40 E A -4.1833
41 E A -4.4219
42 D A -4.1133
43 E A -3.7272
44 P A -2.9050
45 E A -3.2063
46 A A -2.1839
47 A A -1.6470
48 T A -2.0319
49 S A -2.7063
50 K A -3.3059
51 K A -3.6323
52 N A -3.3101
53 Q A -2.7321
54 P A -2.1198
55 G A -2.3310
56 K A -3.2593
57 K A -3.9654
58 R A -4.4069
59 K A -4.1492
60 N A -3.8021
61 N A -3.9706
62 K A -4.1201
63 K A -4.0285
64 N A -3.5717
65 Q A -3.4372
66 S A -3.1650
67 R A -3.8681
68 K A -3.9135
69 R A -3.5664
70 A A -2.2570
71 N A -2.3775
72 A A -1.4316
73 P A -1.6723
74 P A -2.4174
75 D A -3.1363
76 K A -3.5176
77 E A -3.4577
78 W A 0.0000
79 Q A -1.0700
80 V A 1.1750
81 G A -0.0180
82 D A -0.7157
83 S A -0.6898
84 C A 0.0000
85 S A 0.0000
86 A A 0.0000
87 Y A -0.3187
88 W A -1.4524
89 S A -1.8845
90 E A -2.9235
91 D A -3.1157
92 G A -2.0626
93 Q A -1.8020
94 L A 0.1404
95 Y A 0.6286
96 A A 0.5043
97 A A 0.0000
98 T A -0.0410
99 I A 0.0000
100 S A 0.6304
101 F A 1.6023
102 I A -0.2786
103 D A 0.0000
104 E A -3.2251
105 K A -3.4905
106 R A -3.4092
107 G A -2.7185
108 T A -2.2576
109 C A 0.0000
110 I A -0.0180
111 V A 0.0000
112 V A -0.5534
113 F A 0.0000
114 T A -0.2310
115 G A 0.0163
116 Y A 0.4686
117 G A -0.6348
118 N A -1.4452
119 E A -2.3473
120 E A -1.9483
121 E A -2.1176
122 Q A -1.9491
123 N A -2.4767
124 L A -2.4043
125 E A -2.8805
126 D A -2.3620
127 L A 0.0000
128 L A -0.6925
129 S A -0.8584
130 E A -1.2469
131 I A 0.5193
132 S A -0.9291
133 E A -2.8461
134 G A -2.8697
135 D A -4.3174
136 E A -4.4151
137 E A -3.7471
138 T A -2.7203
139 N A -3.0853
140 T A -1.8572
141 K A -1.8390
142 V A -0.3591
143 K A -2.2449
144 E A -2.9266
145 T A -2.0600
146 E A -2.4591
147 S A -1.7280
148 S A -1.6775
149 T A -1.7484
150 E A -2.8608
151 E A -3.2088
152 S A -2.7598
153 D A -3.1971
154 R A -2.8849
155 S A -1.5471
156 T A -0.7080
157 T A -0.9194
158 P A -1.4435
159 N A -2.4881
160 Q A -3.2507
161 H A -3.6549
162 K A -3.8978
163 Q A -3.0224
164 Q A -2.4774
165 P A -1.5381
166 H A -1.8693
167 S A -2.3146
168 K A -3.2713
169 P A -3.3821
170 Q A -3.5524
171 K A -3.5214
172 S A 0.0000
173 D A -3.4137
174 D A -3.0461
175 E A -2.8555
176 A A -0.8919
177 L A -0.4946
178 S A 0.0000
179 S A 0.0638
180 V A 1.2364
181 L A 0.8859
182 I A 1.2790
183 S A 1.3893
184 W A 1.7952
185 Y A 0.0000
186 M A 0.5899
187 S A 0.3094
188 G A 0.2383
189 Y A 0.2582
190 H A 0.2151
191 T A 0.3666
192 G A 0.2822
193 Y A 1.0034
194 Y A 1.1988
195 M A 0.5367
196 G A -0.6330
197 L A -0.6461
198 K A -2.3205
199 Q A -3.0940
200 G A -3.1510
201 R A -4.0472
202 K A -4.2781
203 E A -3.8301
residue index residue name chain Aggrescan3D score
mutation
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Laboratory of Theory of Biopolymers 2018