Project name: 1f0n_solub

Status: done

Started: 2025-02-06 08:49:06
Settings
Chain sequence(s) A: SRPGLPVEYLQVPSPSMGRDIKVQFQSGGNNSPAVYLLDGLRAQDDYNGWDINTPAFEWYYQSGLSIVMPVGGQSSFYSDWYSPACGKAGCQTYKWETFLTSELPQWLSANRAVKPTGSAAIGLSMAGSSAMILAAYHPQQFIYAGSLSALLDPSQGDGPAFVDKAMGDAGGYKAADMWGPSSDPAWERNDPTQQIPKLVANNTRLWVYCGNGTPNAAGGDTAGNSALENFVRSSNLKFQDAYNAAGGHNAVFNFPPNGTHSWEYWGAQLNAMKGDLQSSLGAG
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                                          (00:03:11)
[INFO]       Main:     Simulation completed successfully.                                          (00:03:12)
Show buried residues

Minimal score value
-3.2031
Maximal score value
1.5191
Average score
-0.5898
Total score value
-167.5096

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
2 S A -1.1793
3 R A -1.9228
4 P A -1.2558
5 G A -0.9413
6 L A -0.4636
7 P A -0.0598
8 V A 0.2451
9 E A -0.2611
10 Y A 0.0361
11 L A 0.0000
12 Q A -1.4250
13 V A 0.0000
14 P A -1.3081
15 S A 0.0000
16 P A -0.9476
17 S A -0.7104
18 M A 0.0000
19 G A -1.3473
20 R A -1.8792
21 D A -2.1846
22 I A 0.0000
23 K A -1.4105
24 V A 0.0000
25 Q A 0.0000
26 F A 0.0000
27 Q A 0.0000
28 S A -0.7893
29 G A -1.0968
30 G A -1.5526
31 N A -2.2971
32 N A -2.3737
33 S A 0.0000
34 P A 0.0000
35 A A 0.0000
36 V A 0.0000
37 Y A 0.0000
38 L A 0.0000
39 L A 0.0000
40 D A 0.0000
41 G A 0.0000
42 L A -1.1974
43 R A -2.6653
44 A A 0.0000
45 Q A -2.8573
46 D A -3.2031
47 D A -2.2784
48 Y A -0.2459
49 N A 0.0000
50 G A 0.0000
51 W A 0.0000
52 D A 0.5260
53 I A 1.5191
54 N A -0.4219
55 T A 0.0000
56 P A -0.5188
57 A A 0.0000
58 F A 0.0000
59 E A -0.6778
60 W A -0.2654
61 Y A 0.0000
62 Y A -0.0469
63 Q A -1.0847
64 S A 0.0000
65 G A -1.0220
66 L A 0.0000
67 S A 0.0000
68 I A 0.0000
69 V A 0.0000
70 M A 0.0000
71 P A 0.0000
72 V A 0.0000
73 G A -1.8153
74 G A -1.2306
75 Q A -1.6701
76 S A 0.0000
77 S A 0.0000
78 F A 0.0000
79 Y A 0.0000
80 S A 0.0000
81 D A -0.4314
82 W A 0.0000
83 Y A 0.9321
84 S A 0.0457
85 P A -0.2262
86 A A 0.0000
87 C A -0.1656
88 G A -1.0277
89 K A -1.8489
90 A A -0.7900
91 G A -0.4375
92 C A 0.2050
93 Q A -0.4956
94 T A -0.4402
95 Y A 0.0000
96 K A -0.6705
97 W A 0.0000
98 E A 0.0000
99 T A -0.4376
100 F A 0.0000
101 L A 0.0000
102 T A -0.4089
103 S A -0.6512
104 E A -0.8105
105 L A 0.0000
106 P A 0.0000
107 Q A -1.4447
108 W A -0.6075
109 L A 0.0000
110 S A -1.2983
111 A A -0.7504
112 N A -1.0536
113 R A -1.5323
114 A A -1.6645
115 V A 0.0000
116 K A -1.8538
117 P A -1.1861
118 T A -0.9121
119 G A -0.5840
120 S A 0.0000
121 A A 0.0000
122 A A 0.0000
123 I A 0.0000
124 G A 0.0000
125 L A 0.0000
126 S A -0.1179
127 M A 0.0000
128 A A 0.0000
129 G A 0.0000
130 S A 0.0000
131 S A 0.0000
132 A A 0.0000
133 M A 0.0000
134 I A 0.0000
135 L A 0.0000
136 A A 0.0000
137 A A 0.0000
138 Y A -0.2010
139 H A -0.5710
140 P A -0.9820
141 Q A -1.4163
142 Q A -0.9699
143 F A 0.0000
144 I A -0.3557
145 Y A 0.0000
146 A A 0.0000
147 G A 0.0000
148 S A 0.0000
149 L A 0.0000
150 S A 0.0000
151 A A 0.0000
152 L A 0.3704
153 L A 0.0000
154 D A -1.3668
155 P A 0.0000
156 S A -1.7211
157 Q A -2.2407
158 G A -1.9365
159 D A -2.2637
160 G A -1.5163
161 P A 0.0000
162 A A -1.1560
163 F A -0.6982
164 V A 0.0000
165 D A -1.9513
166 K A -2.4697
167 A A -1.8807
168 M A 0.0000
169 G A -2.4361
170 D A -3.0018
171 A A 0.0000
172 G A -1.7556
173 G A -1.9837
174 Y A 0.0000
175 K A -1.9916
176 A A 0.0000
177 A A -0.6881
178 D A -0.4571
179 M A 0.0000
180 W A 0.0000
181 G A -0.4667
182 P A -0.8044
183 S A -1.2038
184 S A -0.8359
185 D A -1.1180
186 P A -1.0782
187 A A 0.0000
188 W A 0.0000
189 E A -1.8717
190 R A -1.3295
191 N A 0.0000
192 D A 0.0000
193 P A 0.0000
194 T A -1.1634
195 Q A -1.5234
196 Q A 0.0000
197 I A 0.0000
198 P A -0.9440
199 K A -1.2301
200 L A 0.0000
201 V A -1.1485
202 A A -0.8172
203 N A -1.3552
204 N A -1.4315
205 T A 0.0000
206 R A -0.8834
207 L A 0.0000
208 W A 0.0000
209 V A 0.0000
210 Y A 0.0000
211 C A 0.0000
212 G A 0.0000
213 N A -0.6594
214 G A 0.0000
215 T A -1.2682
216 P A -1.7254
217 N A -1.7239
218 A A -0.8421
219 A A -1.0912
220 G A -1.4254
221 G A -1.6965
222 D A -2.2727
223 T A -1.2067
224 A A -0.6461
225 G A -0.8578
226 N A -0.8665
227 S A -0.8966
228 A A -0.1953
229 L A 0.1549
230 E A 0.0000
231 N A -0.9411
232 F A 0.4556
233 V A 0.0000
234 R A 0.0000
235 S A -0.3409
236 S A -0.5340
237 N A 0.0000
238 L A -0.0213
239 K A -2.0204
240 F A 0.0000
241 Q A 0.0000
242 D A -2.5217
243 A A -1.7293
244 Y A 0.0000
245 N A -2.3583
246 A A -1.2598
247 A A -0.9158
248 G A -1.1221
249 G A -1.6921
250 H A -1.6517
251 N A -1.2440
252 A A -0.4198
253 V A 0.6884
254 F A 1.0323
255 N A 0.6246
256 F A 1.2739
257 P A 0.2003
258 P A -0.4466
259 N A -0.8227
260 G A 0.0000
261 T A 0.0000
262 H A -0.8357
263 S A -0.9445
264 W A -0.6684
265 E A -1.6677
266 Y A 0.0000
267 W A 0.0000
268 G A 0.0000
269 A A -0.4897
270 Q A 0.0000
271 L A 0.0000
272 N A -0.6626
273 A A -0.4692
274 M A -0.5202
275 K A -0.9743
276 G A -1.0849
277 D A -0.9536
278 L A 0.0000
279 Q A -1.0356
280 S A -0.8926
281 S A -0.5886
282 L A -0.4090
283 G A -0.7423
284 A A -0.8951
285 G A -0.9001
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Laboratory of Theory of Biopolymers 2018