Project name: AtDAE

Status: done

Started: 2025-12-26 10:11:21
Settings
Chain sequence(s) A: MKHGIYYSYWEHEWSAKFGPYIEKVAKLGFDIIEVAAHHINEYSDAELATIRKSAKDNGIILTAGIGPSKTKNLSSEDAAVRAAGKAFFERTLSNVAKLDIHTIGGALHSYWPIDYSQPVDKAGDYARGVEGINGIADFANDLGINLCIEVLNRFENHVLNTAAEGVAFVKDVGKNNVKVMLDTFHMNIEEDSFGDAIRTAGPLLGHFHTGESNRRVPGKGRMPWHEIGLALRDINYTGAVIMEPFVKTGGTIGSDIKVWRDLSGGADIAKMDEDARNALAFSRFVLGG
C: MKHGIYYSYWEHEWSAKFGPYIEKVAKLGFDIIEVAAHHINEYSDAELATIRKSAKDNGIILTAGIGPSKTKNLSSEDAAVRAAGKAFFERTLSNVAKLDIHTIGGALHSYWPIDYSQPVDKAGDYARGVEGINGIADFANDLGINLCIEVLNRFENHVLNTAAEGVAFVKDVGKNNVKVMLDTFHMNIEEDSFGDAIRTAGPLLGHFHTGESNRRVPGKGRMPWHEIGLALRDINYTGAVIMEPFVKTGGTIGSDIKVWRDLSGGADIAKMDEDARNALAFSRFVLGG
B: MKHGIYYSYWEHEWSAKFGPYIEKVAKLGFDIIEVAAHHINEYSDAELATIRKSAKDNGIILTAGIGPSKTKNLSSEDAAVRAAGKAFFERTLSNVAKLDIHTIGGALHSYWPIDYSQPVDKAGDYARGVEGINGIADFANDLGINLCIEVLNRFENHVLNTAAEGVAFVKDVGKNNVKVMLDTFHMNIEEDSFGDAIRTAGPLLGHFHTGESNRRVPGKGRMPWHEIGLALRDINYTGAVIMEPFVKTGGTIGSDIKVWRDLSGGADIAKMDEDARNALAFSRFVLGG
D: MKHGIYYSYWEHEWSAKFGPYIEKVAKLGFDIIEVAAHHINEYSDAELATIRKSAKDNGIILTAGIGPSKTKNLSSEDAAVRAAGKAFFERTLSNVAKLDIHTIGGALHSYWPIDYSQPVDKAGDYARGVEGINGIADFANDLGINLCIEVLNRFENHVLNTAAEGVAFVKDVGKNNVKVMLDTFHMNIEEDSFGDAIRTAGPLLGHFHTGESNRRVPGKGRMPWHEIGLALRDINYTGAVIMEPFVKTGGTIGSDIKVWRDLSGGADIAKMDEDARNALAFSRFVLGG
input PDB
Selected Chain(s) A,B,C,D
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 all chain(s) selected           (00:00:00)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:00)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:01)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:17:11)
[INFO]       Main:     Simulation completed successfully.                                          (00:17:25)
Show buried residues

Minimal score value
-3.7207
Maximal score value
0.5416
Average score
-0.7435
Total score value
-859.4738

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 -0.7892
2 K A -0.8415
3 H A 0.0000
4 G A 0.0000
5 I A 0.0000
6 Y A 0.0000
7 Y A 0.0000
8 S A 0.0000
9 Y A 0.0000
10 W A 0.0000
11 E A -1.2986
12 H A -1.7257
13 E A -1.4754
14 W A -0.9888
15 S A -1.0907
16 A A -1.4008
17 K A -1.9821
18 F A 0.0000
19 G A -1.2407
20 P A -1.0734
21 Y A -1.1175
22 I A 0.0000
23 E A -2.8083
24 K A -1.9234
25 V A 0.0000
26 A A -1.8225
27 K A -2.6573
28 L A 0.0000
29 G A -1.3315
30 F A 0.0000
31 D A -0.6405
32 I A 0.0000
33 I A 0.0000
34 E A 0.0000
35 V A 0.0000
36 A A 0.0000
37 A A 0.0000
38 H A -1.5885
39 H A -1.4956
40 I A 0.0000
41 N A -1.8337
42 E A -2.4142
43 Y A -1.7379
44 S A -1.8960
45 D A -2.6848
46 A A -1.6332
47 E A -2.5008
48 L A 0.0000
49 A A -1.9877
50 T A -1.8088
51 I A 0.0000
52 R A -2.6530
53 K A -3.3910
54 S A -2.7344
55 A A 0.0000
56 K A -3.6320
57 D A -3.6288
58 N A -2.6843
59 G A -2.0782
60 I A 0.0000
61 I A 0.4941
62 L A 0.0000
63 T A 0.0000
64 A A 0.0000
65 G A -0.2880
66 I A 0.0000
67 G A -0.7599
68 P A 0.0000
69 S A -1.1579
70 K A -1.9868
71 T A -1.4733
72 K A -1.5246
73 N A 0.0000
74 L A 0.0000
75 S A 0.0000
76 S A 0.0000
77 E A -2.7883
78 D A -2.2522
79 A A -1.1477
80 A A -0.8463
81 V A -1.4005
82 R A -1.4738
83 A A -0.6544
84 A A -0.4621
85 G A 0.0000
86 K A -1.3983
87 A A -1.0466
88 F A -1.0468
89 F A 0.0000
90 E A -1.5528
91 R A -2.2427
92 T A 0.0000
93 L A 0.0000
94 S A -1.3225
95 N A -1.7633
96 V A 0.0000
97 A A -1.2929
98 K A -1.9278
99 L A 0.0000
100 D A -1.7500
101 I A 0.0000
102 H A -1.0391
103 T A -0.6714
104 I A 0.0000
105 G A 0.0000
106 G A 0.0000
107 A A 0.0000
108 L A 0.0000
109 H A 0.0000
110 S A 0.0000
111 Y A -0.5371
112 W A -0.3121
113 P A -0.3147
114 I A -0.2201
115 D A -0.6500
116 Y A -0.4279
117 S A -0.8242
118 Q A -1.3695
119 P A -0.8238
120 V A -0.4224
121 D A -1.4827
122 K A -0.9279
123 A A -0.4474
124 G A -0.8982
125 D A -1.1149
126 Y A -0.4368
127 A A -0.7748
128 R A -1.4482
129 G A 0.0000
130 V A -1.7102
131 E A -2.4020
132 G A -1.5181
133 I A 0.0000
134 N A -2.1701
135 G A -1.4501
136 I A 0.0000
137 A A 0.0000
138 D A -2.8239
139 F A -1.3905
140 A A 0.0000
141 N A -2.8784
142 D A -2.5094
143 L A -1.5263
144 G A -1.6214
145 I A 0.0000
146 N A -1.3291
147 L A 0.0000
148 C A 0.0000
149 I A 0.0000
150 E A 0.0000
151 V A 0.0000
152 L A 0.0000
153 N A 0.0000
154 R A 0.0000
155 F A 0.1794
156 E A 0.0000
157 N A 0.0000
158 H A 0.0000
159 V A 0.0000
160 L A 0.0000
161 N A 0.0000
162 T A 0.0000
163 A A 0.0000
164 A A -0.1419
165 E A -0.4897
166 G A 0.0000
167 V A -0.5631
168 A A -1.0562
169 F A 0.0000
170 V A 0.0000
171 K A -2.9600
172 D A -3.1461
173 V A 0.0000
174 G A -2.4630
175 K A -2.7997
176 N A -2.3713
177 N A 0.0000
178 V A 0.0000
179 K A -0.9134
180 V A 0.0000
181 M A 0.0000
182 L A 0.0000
183 D A 0.0000
184 T A 0.0000
185 F A 0.0000
186 H A 0.0000
187 M A 0.0000
188 N A 0.0000
189 I A 0.0000
190 E A -0.4285
191 E A -0.7908
192 D A -1.1953
193 S A -1.0577
194 F A 0.0000
195 G A -1.1881
196 D A -1.6061
197 A A 0.0000
198 I A 0.0000
199 R A -1.5982
200 T A -0.6590
201 A A 0.0000
202 G A 0.0000
203 P A -0.4185
204 L A -0.3107
205 L A 0.0000
206 G A -0.2422
207 H A 0.0000
208 F A 0.0000
209 H A 0.0000
210 T A 0.0000
211 G A 0.0000
212 E A 0.0000
213 S A 0.0000
214 N A 0.0000
215 R A 0.0000
216 R A -0.4520
217 V A 0.0000
218 P A 0.0000
219 G A 0.0000
220 K A -0.8043
221 G A 0.0000
222 R A -0.8776
223 M A 0.0000
224 P A -0.5084
225 W A 0.0000
226 H A -0.6967
227 E A -1.1227
228 I A 0.0000
229 G A 0.0000
230 L A -1.1548
231 A A 0.0000
232 L A 0.0000
233 R A -2.4759
234 D A -2.2449
235 I A -1.5622
236 N A -2.0268
237 Y A 0.0000
238 T A -0.7566
239 G A -0.4201
240 A A -0.4108
241 V A 0.0000
242 I A 0.0000
243 M A 0.0000
244 E A -0.2142
245 P A 0.0000
246 F A 0.0000
247 V A 0.0000
248 K A -1.3479
249 T A -1.1275
250 G A -1.2306
251 G A -1.2431
252 T A -0.9073
253 I A 0.0000
254 G A 0.0000
255 S A -0.6518
256 D A -0.5477
257 I A 0.0000
258 K A -0.4495
259 V A 0.0000
260 W A 0.0000
261 R A -0.9700
262 D A -1.4505
263 L A -0.7445
264 S A 0.0000
265 G A -1.2758
266 G A -1.2743
267 A A 0.0000
268 D A -1.2818
269 I A 0.4667
270 A A -0.5032
271 K A -1.8270
272 M A 0.0000
273 D A -1.7380
274 E A -2.7489
275 D A -1.8780
276 A A 0.0000
277 R A -3.0024
278 N A -1.9025
279 A A 0.0000
280 L A 0.0000
281 A A -0.6854
282 F A 0.0000
283 S A 0.0000
284 R A -0.6329
285 F A -0.1986
286 V A 0.0000
287 L A 0.0000
288 G A -0.6757
289 G A -0.7977
1 M B -0.9507
2 K B -1.0513
3 H B 0.0000
4 G B 0.0000
5 I B 0.0000
6 Y B 0.0000
7 Y B 0.0000
8 S B 0.0000
9 Y B 0.0000
10 W B 0.0000
11 E B -1.3195
12 H B -1.7507
13 E B -1.5681
14 W B -0.8925
15 S B -1.0186
16 A B -1.3132
17 K B -1.9151
18 F B 0.0000
19 G B -1.3384
20 P B -1.1440
21 Y B -1.2399
22 I B 0.0000
23 E B -2.8252
24 K B -1.9837
25 V B 0.0000
26 A B -1.6498
27 K B -2.5843
28 L B -1.9034
29 G B -1.2075
30 F B 0.0000
31 D B -0.6522
32 I B 0.0000
33 I B 0.0000
34 E B 0.0000
35 V B 0.0000
36 A B -0.3880
37 A B 0.0000
38 H B -1.1524
39 H B -1.3546
40 I B 0.0000
41 N B -2.1402
42 E B -2.5257
43 Y B -1.8505
44 S B -1.9445
45 D B -2.6905
46 A B -1.6523
47 E B -2.5216
48 L B 0.0000
49 A B -1.9335
50 T B -1.7191
51 I B 0.0000
52 R B -2.8563
53 K B -3.5145
54 S B -2.8183
55 A B 0.0000
56 K B -3.4388
57 D B -3.7207
58 N B -2.7434
59 G B -2.0798
60 I B 0.0000
61 I B 0.5257
62 L B 0.0000
63 T B 0.0000
64 A B 0.0000
65 G B -0.1593
66 I B 0.0000
67 G B -0.4885
68 P B 0.0000
69 S B -1.2264
70 K B -2.1018
71 T B -1.5428
72 K B -1.6971
73 N B 0.0000
74 L B 0.0000
75 S B 0.0000
76 S B -2.0212
77 E B -2.6885
78 D B -2.0509
79 A B -1.0885
80 A B -0.7701
81 V B -1.3858
82 R B -1.6181
83 A B -0.6457
84 A B -0.5525
85 G B 0.0000
86 K B -1.3715
87 A B -1.0942
88 F B -1.2150
89 F B 0.0000
90 E B -1.6525
91 R B -2.4276
92 T B 0.0000
93 L B 0.0000
94 S B -1.2886
95 N B -1.8823
96 V B 0.0000
97 A B -1.2305
98 K B -1.7307
99 L B 0.0000
100 D B -1.4728
101 I B 0.0000
102 H B -1.0358
103 T B -0.7584
104 I B 0.0000
105 G B 0.0000
106 G B -0.0621
107 A B 0.0000
108 L B 0.0000
109 H B 0.0000
110 S B 0.0000
111 Y B -0.5917
112 W B -0.3172
113 P B -0.3633
114 I B -0.1614
115 D B -0.7091
116 Y B -0.4797
117 S B -0.8463
118 Q B -1.4006
119 P B -0.9071
120 V B -0.5890
121 D B -1.5579
122 K B -0.8952
123 A B -0.4435
124 G B -0.8714
125 D B -1.0834
126 Y B -0.3495
127 A B -0.6722
128 R B -1.3533
129 G B 0.0000
130 V B -1.5789
131 E B -2.2975
132 G B -1.4028
133 I B 0.0000
134 N B -2.0137
135 G B -1.3566
136 I B 0.0000
137 A B 0.0000
138 D B -2.6292
139 F B -1.3464
140 A B 0.0000
141 N B -2.4048
142 D B -2.2975
143 L B -1.3292
144 G B -1.5090
145 I B 0.0000
146 N B -1.1085
147 L B 0.0000
148 C B 0.0000
149 I B 0.0000
150 E B 0.0000
151 V B 0.0000
152 L B 0.0000
153 N B 0.0000
154 R B 0.0000
155 F B 0.1318
156 E B -0.0154
157 N B 0.0000
158 H B 0.0000
159 V B 0.0000
160 L B 0.0000
161 N B 0.0000
162 T B -0.1763
163 A B 0.0000
164 A B -0.2041
165 E B -0.4099
166 G B 0.0000
167 V B -0.5871
168 A B -1.0045
169 F B 0.0000
170 V B 0.0000
171 K B -2.9371
172 D B -3.0885
173 V B 0.0000
174 G B -2.3850
175 K B -2.6377
176 N B -2.2655
177 N B 0.0000
178 V B 0.0000
179 K B -0.9345
180 V B 0.0000
181 M B 0.0000
182 L B 0.0000
183 D B 0.0000
184 T B 0.0000
185 F B 0.0000
186 H B 0.0000
187 M B 0.0000
188 N B 0.0000
189 I B 0.0000
190 E B 0.0000
191 E B 0.0000
192 D B -1.0736
193 S B -0.9969
194 F B 0.0000
195 G B -1.3481
196 D B -1.5658
197 A B 0.0000
198 I B 0.0000
199 R B -1.4147
200 T B -0.5682
201 A B 0.0000
202 G B 0.0000
203 P B -0.3623
204 L B -0.3094
205 L B 0.0000
206 G B -0.2761
207 H B 0.0000
208 F B 0.0000
209 H B 0.0000
210 T B 0.0000
211 G B 0.0000
212 E B 0.0000
213 S B 0.0000
214 N B 0.0000
215 R B 0.0000
216 R B -0.4512
217 V B 0.0000
218 P B 0.0000
219 G B 0.0000
220 K B -0.8117
221 G B 0.0000
222 R B -0.9235
223 M B 0.0000
224 P B -0.4785
225 W B 0.0000
226 H B -0.6054
227 E B -1.0554
228 I B 0.0000
229 G B 0.0000
230 L B -1.2115
231 A B 0.0000
232 L B 0.0000
233 R B -2.5043
234 D B -2.8255
235 I B -1.7170
236 N B -2.1571
237 Y B 0.0000
238 T B -0.7934
239 G B -0.5077
240 A B 0.0000
241 V B 0.0000
242 I B 0.0000
243 M B 0.0000
244 E B 0.0000
245 P B 0.0000
246 F B 0.0000
247 V B 0.0000
248 K B -1.3935
249 T B -1.1217
250 G B -1.2216
251 G B -1.2162
252 T B -0.9121
253 I B 0.0000
254 G B 0.0000
255 S B -0.6389
256 D B -0.6165
257 I B 0.0000
258 K B -0.3804
259 V B 0.0000
260 W B -0.4498
261 R B -0.9753
262 D B -1.6173
263 L B -0.8110
264 S B -1.3055
265 G B -1.3502
266 G B -1.3509
267 A B 0.0000
268 D B -1.3939
269 I B 0.3765
270 A B -0.8081
271 K B -2.5470
272 M B 0.0000
273 D B -1.8613
274 E B -3.0905
275 D B -2.0561
276 A B 0.0000
277 R B -2.8216
278 N B -1.6347
279 A B 0.0000
280 L B 0.0000
281 A B -0.6529
282 F B 0.0000
283 S B 0.0000
284 R B -0.7440
285 F B -0.2878
286 V B 0.0000
287 L B 0.0000
288 G B -0.6925
289 G B -0.9066
1 M C -0.9303
2 K C -1.0800
3 H C 0.0000
4 G C 0.0000
5 I C 0.0000
6 Y C 0.0000
7 Y C 0.0000
8 S C 0.0000
9 Y C 0.0000
10 W C 0.0000
11 E C -1.2640
12 H C -1.6884
13 E C -1.4727
14 W C -0.7986
15 S C -0.9534
16 A C -1.2919
17 K C -1.9013
18 F C 0.0000
19 G C -1.2809
20 P C -1.1495
21 Y C -1.2558
22 I C 0.0000
23 E C -2.9065
24 K C -1.9929
25 V C 0.0000
26 A C -1.6346
27 K C -2.5823
28 L C -1.8391
29 G C -1.3605
30 F C 0.0000
31 D C -0.5707
32 I C 0.0000
33 I C 0.0000
34 E C 0.0000
35 V C 0.0000
36 A C -0.4516
37 A C 0.0000
38 H C -1.1094
39 H C -1.4393
40 I C 0.0000
41 N C -2.1444
42 E C -2.5039
43 Y C -1.7908
44 S C -1.7711
45 D C -2.5335
46 A C -1.4282
47 E C -2.0749
48 L C 0.0000
49 A C -1.7256
50 T C -1.5366
51 I C 0.0000
52 R C -2.8617
53 K C -3.4390
54 S C -2.8328
55 A C 0.0000
56 K C -3.4941
57 D C -3.6822
58 N C -2.7277
59 G C -2.0193
60 I C 0.0000
61 I C 0.5297
62 L C 0.0000
63 T C 0.0000
64 A C 0.0000
65 G C -0.1546
66 I C 0.0000
67 G C -0.4305
68 P C 0.0000
69 S C -1.1581
70 K C -1.9974
71 T C -1.4406
72 K C -1.5698
73 N C 0.0000
74 L C 0.0000
75 S C 0.0000
76 S C -2.0923
77 E C -2.8458
78 D C -2.3396
79 A C -1.2498
80 A C -0.8620
81 V C -1.3341
82 R C -1.5617
83 A C -0.7494
84 A C -0.6129
85 G C 0.0000
86 K C -1.5432
87 A C -1.2317
88 F C 0.0000
89 F C 0.0000
90 E C -1.5557
91 R C -2.3837
92 T C 0.0000
93 L C 0.0000
94 S C -1.2152
95 N C -1.9346
96 V C 0.0000
97 A C -1.4730
98 K C -1.9478
99 L C 0.0000
100 D C -2.4129
101 I C 0.0000
102 H C -1.2854
103 T C -0.8563
104 I C 0.0000
105 G C 0.0000
106 G C 0.0000
107 A C 0.0000
108 L C 0.0000
109 H C 0.0000
110 S C 0.0000
111 Y C -0.5858
112 W C -0.3217
113 P C -0.3712
114 I C -0.3486
115 D C -0.9610
116 Y C -0.6083
117 S C -0.9206
118 Q C -1.4956
119 P C -1.0031
120 V C -0.7521
121 D C -1.7600
122 K C -1.0110
123 A C -0.5329
124 G C -0.9949
125 D C -1.1791
126 Y C -0.4786
127 A C -0.7460
128 R C -1.3692
129 G C 0.0000
130 V C -1.6314
131 E C -2.3180
132 G C -1.4713
133 I C 0.0000
134 N C -1.9500
135 G C -1.2955
136 I C 0.0000
137 A C 0.0000
138 D C -2.5794
139 F C -1.1105
140 A C 0.0000
141 N C -2.3836
142 D C -2.2407
143 L C -1.4382
144 G C -1.5852
145 I C 0.0000
146 N C -1.2652
147 L C 0.0000
148 C C 0.0000
149 I C 0.0000
150 E C 0.0000
151 V C 0.0000
152 L C 0.0000
153 N C 0.0000
154 R C 0.0000
155 F C 0.0766
156 E C -0.0478
157 N C 0.0000
158 H C 0.0000
159 V C 0.0000
160 L C 0.0000
161 N C 0.0000
162 T C -0.2490
163 A C 0.0000
164 A C -0.2884
165 E C -0.4873
166 G C 0.0000
167 V C 0.0000
168 A C -1.1235
169 F C 0.0000
170 V C 0.0000
171 K C -2.9955
172 D C -3.1256
173 V C 0.0000
174 G C -2.3537
175 K C -2.6308
176 N C -2.2725
177 N C 0.0000
178 V C 0.0000
179 K C -0.9566
180 V C 0.0000
181 M C 0.0000
182 L C 0.0000
183 D C 0.0000
184 T C 0.0000
185 F C 0.0000
186 H C 0.0000
187 M C 0.0000
188 N C 0.0000
189 I C 0.0000
190 E C 0.0000
191 E C 0.0000
192 D C -1.3894
193 S C -1.1337
194 F C 0.0000
195 G C -1.1921
196 D C -1.6402
197 A C 0.0000
198 I C 0.0000
199 R C -1.2999
200 T C -0.6210
201 A C 0.0000
202 G C 0.0000
203 P C -0.3720
204 L C -0.3199
205 L C 0.0000
206 G C -0.2363
207 H C 0.0000
208 F C 0.0000
209 H C 0.0000
210 T C 0.0000
211 G C 0.0000
212 E C 0.0000
213 S C 0.0000
214 N C 0.0000
215 R C 0.0000
216 R C -0.4063
217 V C 0.0000
218 P C 0.0000
219 G C 0.0000
220 K C -0.6939
221 G C 0.0000
222 R C -0.8425
223 M C 0.0000
224 P C -0.5052
225 W C 0.0000
226 H C -0.6269
227 E C -1.0151
228 I C 0.0000
229 G C 0.0000
230 L C -0.9756
231 A C 0.0000
232 L C 0.0000
233 R C -2.1568
234 D C -2.2128
235 I C -1.4296
236 N C -1.9629
237 Y C 0.0000
238 T C -0.7669
239 G C -0.4994
240 A C -0.4480
241 V C 0.0000
242 I C 0.0000
243 M C 0.0000
244 E C -0.2234
245 P C 0.0000
246 F C 0.0000
247 V C 0.0000
248 K C -1.2504
249 T C -1.0094
250 G C -1.1774
251 G C -1.1710
252 T C -0.8278
253 I C 0.0000
254 G C 0.0000
255 S C -0.5417
256 D C -0.4596
257 I C -0.1256
258 K C -0.2842
259 V C 0.0000
260 W C -0.4485
261 R C -0.9019
262 D C -1.4132
263 L C -0.7140
264 S C 0.0000
265 G C -1.2683
266 G C -1.2617
267 A C 0.0000
268 D C -1.2662
269 I C 0.5416
270 A C -0.4821
271 K C -1.7347
272 M C 0.0000
273 D C -1.5579
274 E C -2.4869
275 D C 0.0000
276 A C 0.0000
277 R C -2.5630
278 N C -1.5224
279 A C 0.0000
280 L C 0.0000
281 A C -0.5738
282 F C 0.0000
283 S C 0.0000
284 R C -0.7484
285 F C -0.2518
286 V C 0.0000
287 L C 0.0000
288 G C -0.6852
289 G C -0.9254
1 M D -0.9157
2 K D -1.0611
3 H D 0.0000
4 G D 0.0000
5 I D 0.0000
6 Y D 0.1355
7 Y D 0.0000
8 S D 0.0000
9 Y D 0.0000
10 W D 0.0000
11 E D -1.3200
12 H D -1.7827
13 E D -1.5623
14 W D -0.9840
15 S D -1.0749
16 A D -1.3321
17 K D -1.8264
18 F D 0.0000
19 G D -1.2023
20 P D -1.0752
21 Y D -1.1314
22 I D 0.0000
23 E D -2.7894
24 K D -1.9274
25 V D 0.0000
26 A D -1.8136
27 K D -2.5949
28 L D -1.9355
29 G D -1.1920
30 F D 0.0000
31 D D -0.5960
32 I D 0.0000
33 I D 0.0000
34 E D 0.0000
35 V D 0.0000
36 A D 0.0000
37 A D 0.0000
38 H D -1.7218
39 H D -1.7219
40 I D 0.0000
41 N D -2.3600
42 E D -2.6768
43 Y D -2.0751
44 S D -1.9026
45 D D -2.5591
46 A D -1.4885
47 E D -2.2252
48 L D 0.0000
49 A D -1.8205
50 T D -1.7277
51 I D 0.0000
52 R D -2.6133
53 K D -3.4978
54 S D -2.7605
55 A D 0.0000
56 K D -3.5086
57 D D -3.6786
58 N D -2.7947
59 G D -2.1702
60 I D 0.0000
61 I D 0.2530
62 L D 0.0000
63 T D 0.0000
64 A D 0.0000
65 G D -0.2101
66 I D 0.0000
67 G D -0.3759
68 P D 0.0000
69 S D -1.1076
70 K D -2.0563
71 T D -1.4570
72 K D -1.5462
73 N D 0.0000
74 L D 0.0000
75 S D 0.0000
76 S D -2.0754
77 E D -2.7676
78 D D -2.1791
79 A D -1.1442
80 A D -0.7062
81 V D -1.3734
82 R D -1.7035
83 A D -0.7079
84 A D -0.5910
85 G D 0.0000
86 K D -1.5463
87 A D -1.1575
88 F D -1.1788
89 F D 0.0000
90 E D -1.5638
91 R D -2.3648
92 T D 0.0000
93 L D 0.0000
94 S D -0.9652
95 N D -1.8057
96 V D 0.0000
97 A D -1.1585
98 K D -1.5332
99 L D 0.0000
100 D D -2.4156
101 I D 0.0000
102 H D -1.4125
103 T D -0.9202
104 I D 0.0000
105 G D 0.0000
106 G D 0.0000
107 A D 0.0000
108 L D 0.0000
109 H D 0.0000
110 S D 0.0000
111 Y D -0.5311
112 W D -0.2662
113 P D -0.3471
114 I D -0.3416
115 D D -0.8691
116 Y D -0.5625
117 S D -0.8476
118 Q D -1.4456
119 P D -0.9360
120 V D -0.6417
121 D D -1.6813
122 K D -0.9518
123 A D -0.4965
124 G D -0.9503
125 D D -0.9480
126 Y D -0.4180
127 A D -0.7075
128 R D -1.3260
129 G D 0.0000
130 V D -1.6620
131 E D -2.3341
132 G D -1.5289
133 I D 0.0000
134 N D -2.0825
135 G D -1.4724
136 I D 0.0000
137 A D 0.0000
138 D D -2.6373
139 F D -1.2520
140 A D 0.0000
141 N D -2.4158
142 D D -2.2778
143 L D -1.3781
144 G D -1.5749
145 I D 0.0000
146 N D -1.3291
147 L D 0.0000
148 C D 0.0000
149 I D 0.0000
150 E D -0.2547
151 V D 0.0000
152 L D 0.0000
153 N D 0.0000
154 R D 0.0000
155 F D 0.0000
156 E D -0.1176
157 N D 0.0000
158 H D 0.0000
159 V D 0.0000
160 L D 0.0000
161 N D 0.0000
162 T D -0.2277
163 A D 0.0000
164 A D -0.3032
165 E D -0.4335
166 G D 0.0000
167 V D -0.6222
168 A D -1.0302
169 F D 0.0000
170 V D 0.0000
171 K D -2.9075
172 D D -3.0750
173 V D 0.0000
174 G D -2.2889
175 K D -2.4768
176 N D -2.1901
177 N D 0.0000
178 V D 0.0000
179 K D -0.9373
180 V D 0.0000
181 M D 0.0000
182 L D 0.0000
183 D D 0.0000
184 T D 0.0000
185 F D 0.0000
186 H D 0.0000
187 M D 0.0000
188 N D 0.0000
189 I D 0.0000
190 E D 0.0000
191 E D 0.0000
192 D D -1.3671
193 S D -1.2643
194 F D 0.0000
195 G D -1.4384
196 D D -2.2989
197 A D 0.0000
198 I D 0.0000
199 R D -1.7880
200 T D -0.9138
201 A D 0.0000
202 G D 0.0000
203 P D -0.4458
204 L D -0.3841
205 L D 0.0000
206 G D -0.3058
207 H D 0.0000
208 F D 0.0000
209 H D 0.0000
210 T D 0.0000
211 G D 0.0000
212 E D 0.0000
213 S D 0.0000
214 N D 0.0000
215 R D 0.0000
216 R D -0.4168
217 V D 0.0000
218 P D 0.0000
219 G D 0.0000
220 K D -0.8347
221 G D 0.0000
222 R D -0.8865
223 M D 0.0000
224 P D -0.5001
225 W D 0.0000
226 H D -0.6247
227 E D -0.9874
228 I D 0.0000
229 G D 0.0000
230 L D -1.0949
231 A D 0.0000
232 L D 0.0000
233 R D -2.1214
234 D D -1.9300
235 I D -1.4338
236 N D -1.9260
237 Y D 0.0000
238 T D -0.8323
239 G D -0.5152
240 A D -0.4873
241 V D 0.0000
242 I D 0.0000
243 M D 0.0000
244 E D 0.0000
245 P D 0.0000
246 F D 0.0000
247 V D 0.0000
248 K D -1.3710
249 T D -1.1878
250 G D -1.3613
251 G D -1.2555
252 T D -0.8808
253 I D 0.0000
254 G D 0.0000
255 S D -0.5217
256 D D -0.4079
257 I D -0.1284
258 K D -0.3901
259 V D 0.0000
260 W D -0.6864
261 R D -1.5632
262 D D -1.4776
263 L D -0.7736
264 S D 0.0000
265 G D -1.2930
266 G D -1.2080
267 A D 0.0000
268 D D -1.2918
269 I D 0.5209
270 A D -0.5122
271 K D -1.8709
272 M D 0.0000
273 D D -1.6816
274 E D -2.6837
275 D D -1.8355
276 A D 0.0000
277 R D -2.8039
278 N D -1.7807
279 A D 0.0000
280 L D 0.0000
281 A D -0.6592
282 F D 0.0000
283 S D 0.0000
284 R D -0.6886
285 F D -0.1860
286 V D 0.0000
287 L D 0.0000
288 G D -0.6851
289 G D -0.8006
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Laboratory of Theory of Biopolymers 2018