Project name: mScarlet

Status: done

Started: 2026-07-15 15:55:27
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Chain sequence(s) A: AVIKKEFMRFKVHMEGSSMNGHEFEIIEGEGEGRPYEGTQTTAKLKVTKKGGPLPFSWDILSPQFAAASRAFTKHPADIPDYYKQSFPEGFKWEERVVMMNFEDGGAVTTVTQDTSLEDGTLIYKVKLRRGTTNNFPPDGPVMQKKTMMGWEASTERLYPEDGVLKGDIKKMALRRLKKDGGRRYLADFKKTTYKAKKPVQMPGAYNVDRKKLLDIITSSHNEEDYTVVEEQYERSEGRHSTG
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                                          (00:07:37)
[INFO]       Main:     Simulation completed successfully.                                          (00:07:38)
Show buried residues

Minimal score value
-3.6925
Maximal score value
0.0113
Average score
-1.113
Total score value
-240.4032

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
7 A A -0.2725
8 V A -0.0008
9 I A 0.0000
10 K A -2.1713
11 E A -2.2411
12 F A -1.0822
13 M A 0.0000
14 R A -2.2292
15 F A 0.0000
16 K A -2.9028
17 V A 0.0000
18 H A -2.1388
19 M A 0.0000
20 E A -2.4183
21 G A 0.0000
22 S A 0.0000
23 M A 0.0000
24 N A -1.9583
25 G A -1.8589
26 H A -1.8880
27 E A -2.9147
28 F A 0.0000
29 E A -2.2309
30 I A 0.0000
31 E A -3.1835
32 G A -2.8960
33 E A -3.6925
34 G A 0.0000
35 E A -2.1100
36 G A 0.0000
37 R A -2.0184
38 P A 0.0000
39 Y A -1.1717
40 E A -2.1057
41 G A 0.0000
42 T A -1.6043
43 Q A 0.0000
44 T A -1.4543
45 A A 0.0000
46 K A -2.9473
47 L A 0.0000
48 K A -2.2549
49 V A 0.0000
50 T A -1.5652
51 K A -2.2696
52 G A -1.6406
53 G A -1.4517
54 P A -1.0427
55 L A 0.0000
56 P A -0.8380
57 F A 0.0000
58 S A 0.0000
59 W A 0.0000
60 D A 0.0000
61 I A 0.0000
62 L A 0.0000
63 S A 0.0000
64 P A -0.1794
65 Q A 0.0000
66 F A 0.0000
70 S A 0.0113
71 R A 0.0000
72 A A 0.0000
73 F A 0.0000
74 T A 0.0000
75 K A -2.2915
76 H A -1.6952
77 P A -1.3625
78 A A -1.0265
79 D A -2.0191
80 I A 0.0000
81 P A -1.0027
82 D A -0.8950
83 Y A 0.0000
84 Y A 0.0000
85 K A -0.4007
86 Q A -0.9080
87 S A 0.0000
88 F A 0.0000
89 P A -1.0123
90 E A -1.7218
91 G A 0.0000
92 F A 0.0000
93 K A -1.9386
94 W A 0.0000
95 E A -1.8225
96 R A 0.0000
97 V A -0.8969
98 M A 0.0000
99 N A -1.9990
100 F A 0.0000
101 E A -2.5687
102 D A -1.9267
103 G A -1.6687
104 G A 0.0000
105 A A -1.4754
106 V A 0.0000
107 T A -1.0933
108 V A 0.0000
109 T A -1.5208
110 Q A 0.0000
111 D A -1.5620
112 T A 0.0000
113 S A -1.1005
114 L A -1.3704
115 E A -2.8904
116 D A -2.7926
117 G A -2.0846
118 T A 0.0000
119 L A 0.0000
120 I A -1.2939
121 Y A 0.0000
122 K A -2.0706
123 V A 0.0000
124 K A -2.2593
125 L A 0.0000
126 R A -2.5974
127 G A 0.0000
128 T A -1.5602
129 N A -1.7433
130 F A 0.0000
131 P A -1.5162
132 P A -1.6397
133 D A -2.4689
134 G A -1.7450
135 P A -1.9463
136 V A 0.0000
137 M A -1.5647
138 Q A -2.4699
139 K A -2.2889
140 K A -2.5023
141 T A -1.7006
142 M A -0.8893
143 G A -0.6386
144 W A 0.0000
145 E A -1.2533
146 A A -1.2719
147 S A -1.2508
148 T A -1.6910
149 E A 0.0000
150 R A -2.4593
151 L A 0.0000
152 Y A -0.5714
153 P A -1.2967
154 E A -2.7490
155 D A -2.8003
156 G A -2.0744
157 V A -1.3424
158 L A 0.0000
159 K A -1.5445
160 G A 0.0000
161 D A -2.4065
162 I A 0.0000
163 K A -2.7880
164 M A 0.0000
165 A A 0.0000
166 L A 0.0000
167 R A -2.0056
168 L A -2.5257
169 K A -3.2382
170 D A -3.2281
171 G A -2.3762
172 G A -2.3156
173 R A -2.5937
174 Y A 0.0000
175 L A -1.6754
176 A A 0.0000
177 D A -3.2152
178 F A 0.0000
179 K A -2.5327
180 T A 0.0000
181 T A -1.2520
182 Y A 0.0000
183 K A -1.4518
184 A A -1.2866
185 K A -1.6133
186 K A -1.3624
187 P A -0.9165
188 V A -0.8015
189 Q A -1.2334
190 M A -0.9180
191 P A 0.0000
192 G A -0.6841
193 A A -0.7862
194 Y A 0.0000
195 N A -1.7467
196 V A 0.0000
197 D A -2.1999
198 R A -2.1204
199 K A -2.7503
200 L A 0.0000
201 D A -1.7852
202 I A -0.6220
203 T A -0.7707
204 S A -1.1099
205 H A -1.7311
206 N A -1.8874
207 E A -2.5665
208 D A -1.9987
209 Y A -1.1512
210 T A -1.0720
211 V A -1.3169
212 V A 0.0000
213 E A -1.9145
214 Q A 0.0000
215 Y A -1.0573
216 E A 0.0000
217 R A -2.9697
218 S A 0.0000
219 E A -3.1439
220 G A 0.0000
221 R A -2.0609
222 H A -1.6428
223 S A -1.2351
224 T A -0.7038
225 G A -0.6708
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Laboratory of Theory of Biopolymers 2018