Project name: Asparaginase-2OCD

Status: done

Started: 2024-07-04 19:24:35
Settings
Chain sequence(s) A: ARKHIYIAYTGGTIGMKKSDPVAGFMEKQLASSMPEFHRPEMPLFTIHEYDPLMDSSDMTPADWQLIADDIAANYDKYDGFVILHGTDTMAYTASALSFMFENLGKPVIVTGSQIPLADLRSDGQANLLNALHVAANYPINEVTLFFNNRLMRGNRSRKSHADGFSAFSSPNLPPLLEAGINIELSTNVKVDEKPSGEFKVNPITPQPIGVITMYPGISHEVIRNTLLQPVNAMILLTFGVGNAPQNPELLAQLKAASERGVIVVNLTQCLAGKVNMGGCALADAGVISGYDMTPEAALAKLHYLLSQNLSYEEVKAKMQQVLRGEMTL
C: ARKHIYIAYTGGTIGMKKSDVPVAGFMEKQLASSMPEFHRPEMPLFTIHEYDPLMDSSDMTPADWQLIADDIAANYDKYDGFVILHGTDTMAYTASALSFMFENLGKPVIVTGSQIPLADLRSDGQANLLNALHVAANYPINEVTLFFNNRLMRGNRSRKSHAGFSAFSSPNLPPLLEAGINIELSTNVKVDEKPSGEFKVNPITPQPIGVITMYPGISHEVIRNTLLQPVNAMILLTFGVGNAPQNPELLAQLKAASERGVIVVNLTQCLAGKVNMGGCALADAGVISGYDMTPEAALAKLHYLLSQNLSYEEVKAKMQQVLRGEMTL
B: ARKKHIYIAYTGGTIGMKKSDVPVAGFMEKKQLASSMPEFHRPEMPLFTIHEYDPLMDSSDMTPADWQLIADDIAANYDKYDGFVILHGTDTMAYTASALSFMFENLGKPVIVTGSQIPLADLRSDGQANLLNALHVAANYPINEVTLFFNNRLMRGNRSRKSHADGFSAFSSPNLPPLLEAGINIELSTNVKVDEKPSGEFKVNPITPQPIGVITMYPGISHEVIRNTLLQPVNAMILLTFGVGNAPQNPELLAQLLKAASERRGVIVVNLTQCLAGKVNMGGYATGCALADAGVISGYDMTPEAALAKLHYLLSQNLSYEEVKAKMQQVLRGEMTL
D: ARKHIYIAYTGGTIGMKKSVPVAGFMEKQLASMPEFHRPEMPLFTIHEYDPLMDSSDMTPADWQLIADDIAANYDKYDGFVILHGTDTMAYTASALSFMFEENLGKPVIVTGSQIPLADLRSDGQANLLNALHVAANYPINEVTLFFNNRLMRGNRSRKSHADGFSAFSSPNLPPLLEAGINIELSTNVKVDEKPSGEFKVNPITPQPIGVITMYPGISHEVIRNTLLQPVNAMILLTFGVGNAPQNPELLAQLKAASERGVIVVNLTQCLAGKVNMGGYATGCALADAGVISGYDMTPEAALAKLHYLLSQNLSYEEEVKAKMQQVLRGEMTL
input PDB
Selected Chain(s) A,C,B,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                                          (00:11:13)
[INFO]       Main:     Simulation completed successfully.                                          (00:11:35)
Show buried residues

Minimal score value
-4.002
Maximal score value
1.6514
Average score
-0.5568
Total score value
-735.4674

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 A A -0.8376
3 R A -1.7645
4 K A -1.6408
5 H A -0.9822
6 I A 0.0000
7 Y A 0.0000
8 I A 0.0000
9 A A 0.0000
10 Y A 0.0000
11 T A 0.0000
12 G A 0.0000
13 G A -0.3327
14 T A -0.4740
15 I A 0.0000
16 G A 0.0000
17 M A -0.3262
18 K A -1.7719
19 K A -2.6473
20 S A -2.1295
21 D A -2.0888
26 P A -0.8083
27 V A 0.3942
28 A A 0.4645
29 G A 0.1044
30 F A 0.7596
31 M A 0.0999
32 E A 0.0000
33 K A -1.2370
34 Q A -1.2287
35 L A -0.4550
36 A A 0.0000
37 S A -0.8513
38 M A -0.4695
39 P A -0.6766
40 E A -0.8835
41 F A 0.0000
42 H A -1.3307
43 R A -1.2975
44 P A -1.3506
45 E A -1.9538
46 M A 0.0000
47 P A 0.0000
48 L A 0.0698
49 F A 0.2981
50 T A 0.0828
51 I A -0.3398
52 H A -0.9364
53 E A -0.7760
54 Y A 0.0000
55 D A -1.8282
56 P A -1.4187
57 L A -0.6820
58 M A -1.2274
59 D A -2.1499
60 S A -1.3800
61 S A -1.5213
62 D A -2.3381
63 M A 0.0000
64 T A -0.3508
65 P A 0.0000
66 A A 0.1501
67 D A -0.0480
68 W A 0.0000
69 Q A 0.0783
70 L A 0.8973
71 I A 0.0000
72 A A 0.0000
73 D A -1.0025
74 D A -0.5203
75 I A 0.0000
76 A A -0.9438
77 A A -0.9466
78 N A -1.4521
79 Y A -1.7343
80 D A -2.7435
81 K A -2.7442
82 Y A -1.7974
83 D A -1.9968
84 G A 0.0000
85 F A 0.0000
86 V A 0.0000
87 I A 0.0000
88 L A 0.0000
89 H A 0.0000
90 G A 0.0000
91 T A -0.4278
92 D A -0.6881
93 T A 0.0000
94 M A 0.0000
95 A A 0.0000
96 Y A 0.0000
97 T A 0.0000
98 A A 0.0000
99 S A 0.0000
100 A A 0.0000
101 L A 0.0000
102 S A 0.0000
103 F A 0.0000
104 M A 0.0000
105 F A 0.0000
106 E A -1.4142
107 N A -1.7917
108 L A -1.3781
109 G A -1.7888
110 K A -1.4646
111 P A 0.0000
112 V A 0.0000
113 I A 0.0000
114 V A 0.0000
115 T A 0.0000
116 G A 0.0000
117 S A 0.0000
118 Q A -0.1892
119 I A -0.3228
120 P A -0.5639
121 L A 0.0000
122 A A -0.5397
123 D A -0.8960
124 L A -0.3608
125 R A -0.4190
126 S A -0.3517
127 D A -0.5895
128 G A 0.0000
129 Q A -0.3261
130 A A -0.4468
131 N A 0.0000
132 L A 0.0000
133 L A 0.0720
134 N A 0.0000
135 A A 0.0000
136 L A 0.0000
137 H A 0.0000
138 V A 0.0000
139 A A 0.0000
140 A A 0.0000
141 N A -1.4206
142 Y A -0.2200
143 P A -0.8446
144 I A 0.0000
145 N A -1.3909
146 E A -0.9326
147 V A 0.0000
148 T A 0.0000
149 L A 0.0000
150 F A 0.0000
151 F A 0.0000
152 N A -1.4534
153 N A -2.2673
154 R A -2.1918
155 L A 0.0000
156 M A 0.0000
157 R A -0.3964
158 G A 0.0000
159 N A 0.0000
160 R A 0.0000
161 S A 0.0000
162 R A -0.2216
163 K A 0.0000
164 S A 0.0000
165 H A -0.2779
166 A A 0.0000
167 D A -1.1252
168 G A -0.5056
169 F A 0.4598
170 S A 0.0000
171 A A -0.1141
172 F A 0.0000
173 S A -0.3125
174 S A -0.2485
175 P A -0.1676
176 N A -0.3390
177 L A -0.0665
178 P A -0.5226
179 P A -0.9800
180 L A 0.0000
181 L A 0.0000
182 E A -3.1152
183 A A 0.0000
184 G A -1.6386
185 I A -0.8243
186 N A -1.6442
187 I A -1.8317
188 E A -2.4638
189 L A -1.0801
190 S A -1.0792
191 T A -0.9651
192 N A -1.3470
193 V A -1.0080
194 K A -1.7727
195 V A -0.7300
196 D A -2.0432
197 E A -3.1715
198 K A -3.0682
199 P A -2.2181
200 S A -1.4913
201 G A -1.8230
202 E A -2.4107
203 F A -1.6160
204 K A -1.9439
205 V A -0.8271
206 N A 0.0000
207 P A -0.5994
208 I A 0.0000
209 T A -0.2943
210 P A -0.3241
211 Q A -0.5026
212 P A -0.7694
213 I A 0.0000
214 G A 0.0000
215 V A 0.2164
216 I A 0.0000
217 T A 0.0000
218 M A 0.0000
219 Y A 0.0000
220 P A 0.0000
221 G A -0.5484
222 I A 0.0000
223 S A -1.0767
224 H A -1.6314
225 E A -1.8384
226 V A 0.0000
227 I A 0.0000
228 R A -1.3779
229 N A 0.0000
230 T A 0.0000
231 L A -0.5654
232 L A -0.7395
233 Q A -1.5468
234 P A -1.1344
235 V A 0.0000
236 N A -1.3667
237 A A 0.0000
238 M A 0.0000
239 I A 0.0000
240 L A 0.0000
241 L A 0.0601
242 T A 0.0000
243 F A 0.0000
244 G A 0.0000
245 V A -0.1215
246 G A 0.0000
247 N A -0.8309
248 A A -0.7436
249 P A 0.0000
250 Q A -2.2731
251 N A -2.1302
252 P A -1.7864
253 E A -2.6932
254 L A 0.0000
255 L A -1.5075
256 A A -1.3514
257 Q A -1.5806
258 L A 0.0000
259 K A -2.4753
260 A A -1.8344
261 A A 0.0000
262 S A -2.0914
263 E A -3.1041
264 R A -3.1514
265 G A -2.1311
266 V A 0.0000
267 I A 0.0000
268 V A 0.0000
269 V A 0.0000
270 N A 0.0000
271 L A 0.0000
272 T A -0.1928
273 Q A -0.1138
274 C A 0.0000
275 L A 0.1284
276 A A -0.0511
277 G A 0.0000
278 K A -0.8279
279 V A 0.0000
280 N A -1.1470
281 M A -0.6140
282 G A -0.8536
287 G A -0.7952
288 C A -0.5489
289 A A -0.9209
290 L A 0.0000
291 A A -1.0728
292 D A -2.0638
293 A A 0.0000
294 G A -1.3326
295 V A 0.0000
296 I A 0.0000
297 S A -0.2261
298 G A 0.0000
299 Y A 0.0557
300 D A 0.0000
301 M A 0.0000
302 T A 0.0000
303 P A -0.0174
304 E A 0.0000
305 A A 0.0000
306 A A 0.0000
307 L A 0.0000
308 A A 0.0000
309 K A 0.0000
310 L A 0.0000
311 H A 0.0000
312 Y A 0.0000
313 L A 0.0000
314 L A -0.5384
315 S A -0.5386
316 Q A -0.7938
317 N A -1.2620
318 L A -0.8227
319 S A -1.2116
320 Y A -1.5938
321 E A -2.5995
322 E A -2.6301
323 V A 0.0000
324 K A -1.7256
325 A A -1.7477
326 K A -1.6119
327 M A 0.0000
328 Q A -0.6545
329 Q A -0.7503
330 V A 0.4933
331 L A 0.1472
332 R A -0.2252
333 G A -0.0843
334 E A 0.0000
335 M A 0.0000
336 T A 0.6345
337 L A 1.2344
2 A B -0.8124
3 R B -2.0592
4 K B -2.0316
5 H B -1.2202
6 I B 0.0000
7 Y B 0.0000
8 I B 0.0000
9 A B 0.0000
10 Y B 0.0000
11 T B 0.0000
12 G B 0.0000
13 G B 0.0000
14 T B 0.1278
15 I B 0.0000
16 G B 0.0000
17 M B 0.4032
18 K B -1.0849
19 K B -1.8205
20 S B -1.5005
21 D B -1.9835
25 V B 0.9138
26 P B 0.5832
27 V B 1.6514
28 A B 0.9399
29 G B 0.3645
30 F B 1.1693
31 M B 0.1909
32 E B 0.0000
33 K B -1.1833
34 Q B -1.1942
35 L B -0.5111
36 A B 0.0000
37 S B -0.8791
38 M B -0.5036
39 P B -0.7095
40 E B -0.6926
41 F B 0.0000
42 H B -1.3768
43 R B -1.2718
44 P B -1.2206
45 E B -1.6749
46 M B 0.0000
47 P B 0.0000
48 L B -0.3525
49 F B 0.1905
50 T B -0.0130
51 I B -0.2154
52 H B -1.0024
53 E B -0.9034
54 Y B 0.0000
55 D B -2.0592
56 P B -1.4918
57 L B -0.6834
58 M B 0.0000
59 D B -1.9269
60 S B 0.0000
61 S B -1.3344
62 D B -1.8508
63 M B 0.0000
64 T B -0.4891
65 P B 0.0000
66 A B -0.0350
67 D B -0.2889
68 W B 0.0000
69 Q B -0.3703
70 L B 0.2089
71 I B 0.0000
72 A B 0.0000
73 D B -1.4256
74 D B -0.8405
75 I B 0.0000
76 A B -1.0953
77 A B -1.0468
78 N B -1.5113
79 Y B -1.7896
80 D B -2.7557
81 K B -2.7451
82 Y B -1.9397
83 D B -2.1211
84 G B 0.0000
85 F B 0.0000
86 V B 0.0000
87 I B 0.0000
88 L B 0.0000
89 H B 0.0000
90 G B -0.5817
91 T B -0.4538
92 D B -0.6578
93 T B 0.0000
94 M B 0.0000
95 A B 0.0000
96 Y B 0.0000
97 T B 0.0000
98 A B 0.0000
99 S B 0.0000
100 A B 0.0000
101 L B 0.0000
102 S B 0.0000
103 F B 0.0000
104 M B 0.0000
105 F B 0.0000
106 E B -1.4202
107 N B -1.9193
108 L B 0.0000
109 G B -2.1545
110 K B -1.7107
111 P B 0.0000
112 V B 0.0000
113 I B 0.0000
114 V B 0.0000
115 T B 0.0000
116 G B 0.0000
117 S B 0.0000
118 Q B 0.0585
119 I B -0.0405
120 P B 0.0000
121 L B 0.0000
122 A B -0.5825
123 D B -0.9731
124 L B -0.5118
125 R B -0.5341
126 S B -0.4121
127 D B -0.5944
128 G B 0.0000
129 Q B -0.2266
130 A B -0.4152
131 N B 0.0000
132 L B 0.0000
133 L B 0.1144
134 N B 0.0000
135 A B 0.0000
136 L B 0.0000
137 H B 0.0000
138 V B 0.0000
139 A B 0.0000
140 A B 0.0000
141 N B -1.2586
142 Y B -0.5229
143 P B -1.3199
144 I B 0.0000
145 N B -1.9334
146 E B -1.2399
147 V B 0.0000
148 T B 0.0000
149 L B 0.0000
150 F B 0.0000
151 F B 0.0000
152 N B -1.1001
153 N B -2.1829
154 R B -2.2140
155 L B 0.0000
156 M B 0.0000
157 R B -0.3964
158 G B 0.0000
159 N B 0.0000
160 R B 0.0000
161 S B 0.0000
162 R B -0.3825
163 K B 0.0000
164 S B -0.1146
165 H B 0.0105
166 A B 0.0000
167 D B -0.3620
168 G B 0.0568
169 F B 1.2820
170 S B 0.5561
171 A B 0.0896
172 F B 0.0000
173 S B -0.3952
174 S B -0.2464
175 P B -0.2187
176 N B -0.3175
177 L B -0.1052
178 P B -0.5216
179 P B -0.6240
180 L B 0.0000
181 L B 0.0000
182 E B -2.9374
183 A B 0.0000
184 G B -1.6906
185 I B -0.9348
186 N B -1.7326
187 I B -1.8632
188 E B -2.2740
189 L B -1.0297
190 S B -0.9903
191 T B -0.9653
192 N B -1.5109
193 V B -1.3413
194 K B -2.6350
195 V B -1.7609
196 D B -3.3898
197 E B -3.9679
198 K B -3.4780
199 P B -2.3341
200 S B -1.5144
201 G B -1.9067
202 E B -2.4434
203 F B -1.6226
204 K B -1.7872
205 V B -0.8621
206 N B 0.0000
207 P B -0.5858
208 I B 0.0000
209 T B -0.3399
210 P B -0.3591
211 Q B -0.5416
212 P B -0.8461
213 I B 0.0000
214 G B 0.0000
215 V B 0.0000
216 I B 0.0000
217 T B 0.0000
218 M B 0.0000
219 Y B 0.0000
220 P B 0.0000
221 G B -0.5630
222 I B 0.0000
223 S B -0.9088
224 H B -1.3701
225 E B -1.6121
226 V B 0.0000
227 I B 0.0000
228 R B -1.1473
229 N B 0.0000
230 T B 0.0000
231 L B -0.3774
232 L B -0.3816
233 Q B -1.1873
234 P B -1.0703
235 V B 0.0000
236 N B -1.3173
237 A B 0.0000
238 M B 0.0000
239 I B 0.0000
240 L B 0.0000
241 L B 0.0000
242 T B 0.0000
243 F B 0.0000
244 G B 0.0000
245 V B -0.3076
246 G B 0.0000
247 N B -0.5108
248 A B -0.7840
249 P B 0.0000
250 Q B -1.9800
251 N B -1.8301
252 P B -1.3655
253 E B -1.8296
254 L B 0.0000
255 L B -1.3263
256 A B -1.1036
257 Q B -1.4009
258 L B 0.0000
259 K B -2.4801
260 A B -1.7226
261 A B 0.0000
262 S B -2.1059
263 E B -3.1615
264 R B -3.0536
265 G B -2.1830
266 V B 0.0000
267 I B 0.0000
268 V B 0.0000
269 V B 0.0000
270 N B 0.0000
271 L B 0.0000
272 T B 0.0000
273 Q B -0.1479
274 C B 0.0000
275 L B 0.1233
276 A B 0.0000
277 G B 0.0000
278 K B -0.5252
279 V B 0.0000
280 N B -0.2093
281 M B 0.0338
282 G B -0.1292
283 G B 0.3921
284 Y B 0.8929
285 A B 0.5109
286 T B 0.2678
287 G B 0.1145
288 C B -0.0121
289 A B -0.7116
290 L B 0.0000
291 A B -0.9075
292 D B -1.8783
293 A B 0.0000
294 G B -1.3007
295 V B 0.0000
296 I B 0.0000
297 S B -0.0657
298 G B 0.0000
299 Y B 0.2174
300 D B 0.0000
301 M B 0.0000
302 T B 0.0000
303 P B -0.0961
304 E B 0.0000
305 A B 0.0000
306 A B 0.0000
307 L B 0.0000
308 A B 0.0000
309 K B 0.0000
310 L B 0.0000
311 H B 0.0000
312 Y B 0.0355
313 L B 0.0000
314 L B -0.3178
315 S B -0.3520
316 Q B -0.6256
317 N B -1.1668
318 L B -0.7767
319 S B -1.0646
320 Y B -1.4851
321 E B -2.5587
322 E B -2.5163
323 V B 0.0000
324 K B -1.7290
325 A B -1.7564
326 K B -1.6189
327 M B 0.0000
328 Q B -0.7465
329 Q B -0.6512
330 V B 0.5393
331 L B 0.0317
332 R B -0.3671
333 G B -0.1222
334 E B 0.0000
335 M B 0.0000
336 T B 0.6668
337 L B 1.4269
2 A C -0.7447
3 R C -1.8880
4 K C -1.6111
5 H C -0.9647
6 I C 0.0000
7 Y C 0.0000
8 I C 0.0000
9 A C 0.0000
10 Y C 0.0000
11 T C 0.0000
12 G C 0.0000
13 G C -0.2378
14 T C -0.0456
15 I C 0.0000
16 G C 0.0000
17 M C 0.1659
18 K C -1.6029
19 K C -2.0552
20 S C -1.4979
21 D C -1.8228
25 V C 0.4658
26 P C 0.3817
27 V C 1.5963
28 A C 0.7424
29 G C 0.3254
30 F C 0.9093
31 M C 0.1517
32 E C 0.0000
33 K C -1.0492
34 Q C -1.1696
35 L C -0.4261
36 A C 0.0000
37 S C -0.8100
38 M C -0.4101
39 P C -0.6529
40 E C -0.8416
41 F C 0.0000
42 H C -1.2089
43 R C -1.2616
44 P C -1.2603
45 E C -1.8220
46 M C 0.0000
47 P C 0.0000
48 L C -0.0894
49 F C 0.3367
50 T C 0.0291
51 I C -0.1736
52 H C -0.9640
53 E C 0.0000
54 Y C 0.0000
55 D C -1.8472
56 P C -1.4551
57 L C -0.6502
58 M C 0.0000
59 D C -2.0894
60 S C -1.1921
61 S C -1.1503
62 D C -1.6527
63 M C 0.0000
64 T C -0.3671
65 P C 0.0000
66 A C -0.0337
67 D C -0.2545
68 W C 0.0000
69 Q C -0.2249
70 L C 0.3701
71 I C 0.0000
72 A C 0.0000
73 D C -1.1573
74 D C -0.6080
75 I C 0.0000
76 A C -0.7987
77 A C -0.8918
78 N C -1.4013
79 Y C -1.7156
80 D C -2.7426
81 K C -2.7812
82 Y C 0.0000
83 D C -1.8834
84 G C 0.0000
85 F C 0.0000
86 V C 0.0000
87 I C 0.0000
88 L C 0.0000
89 H C 0.0000
90 G C 0.0000
91 T C -0.4010
92 D C -0.5493
93 T C 0.0000
94 M C 0.0000
95 A C 0.0000
96 Y C 0.0000
97 T C 0.0000
98 A C 0.0000
99 S C 0.0000
100 A C 0.0000
101 L C 0.0000
102 S C 0.0000
103 F C 0.0000
104 M C 0.0000
105 F C 0.0000
106 E C -1.4968
107 N C -1.7876
108 L C -1.3739
109 G C -1.7099
110 K C -1.4138
111 P C 0.0000
112 V C 0.0000
113 I C 0.0000
114 V C 0.0000
115 T C 0.0000
116 G C 0.0000
117 S C 0.0000
118 Q C 0.0504
119 I C -0.1399
120 P C 0.0000
121 L C 0.0000
122 A C -0.6925
123 D C -1.0510
124 L C -0.4909
125 R C -0.5534
126 S C -0.4680
127 D C -0.5996
128 G C 0.0000
129 Q C -0.3109
130 A C -0.4077
131 N C 0.0000
132 L C 0.0000
133 L C 0.0673
134 N C 0.0000
135 A C 0.0000
136 L C 0.0000
137 H C 0.0000
138 V C 0.0000
139 A C 0.0000
140 A C 0.0000
141 N C -1.0558
142 Y C -0.2499
143 P C -0.7201
144 I C 0.0000
145 N C -1.4340
146 E C -1.0223
147 V C 0.0000
148 T C 0.0000
149 L C 0.0000
150 F C 0.0000
151 F C 0.0000
152 N C -0.9892
153 N C -2.0036
154 R C -1.9480
155 L C 0.0000
156 M C 0.0000
157 R C -0.4676
158 G C 0.0000
159 N C 0.0000
160 R C 0.0000
161 S C 0.0000
162 R C -0.2827
163 K C 0.0000
164 S C 0.0000
165 H C 0.0655
166 A C 0.1390
168 G C 0.2168
169 F C 1.3588
170 S C 0.0000
171 A C 0.0000
172 F C 0.0000
173 S C -0.3354
174 S C -0.3030
175 P C -0.2483
176 N C -0.3803
177 L C -0.1963
178 P C -0.6852
179 P C -0.8943
180 L C 0.0000
181 L C 0.0000
182 E C -2.6092
183 A C 0.0000
184 G C -1.3390
185 I C -0.4816
186 N C -1.2516
187 I C -1.5261
188 E C -2.2546
189 L C -1.1292
190 S C -1.1466
191 T C -1.0697
192 N C -1.5737
193 V C -1.2522
194 K C -2.0928
195 V C -0.7394
196 D C -2.0289
197 E C -3.2282
198 K C -3.0441
199 P C -2.1336
200 S C -1.4542
201 G C -1.7504
202 E C -2.4348
203 F C -1.6860
204 K C -2.2680
205 V C -0.9707
206 N C -0.9027
207 P C -0.6685
208 I C 0.0000
209 T C -0.2412
210 P C -0.2129
211 Q C 0.0000
212 P C -0.5781
213 I C 0.0000
214 G C 0.0000
215 V C 0.0000
216 I C 0.0000
217 T C 0.0000
218 M C 0.0000
219 Y C 0.0000
220 P C 0.0000
221 G C -0.6378
222 I C 0.0000
223 S C -0.9165
224 H C -1.3873
225 E C -1.4075
226 V C 0.0000
227 I C 0.0000
228 R C -0.9314
229 N C 0.0000
230 T C 0.0000
231 L C 0.0000
232 L C -0.6319
233 Q C -1.3427
234 P C -1.0760
235 V C 0.0000
236 N C -0.6761
237 A C 0.0000
238 M C 0.0000
239 I C 0.0000
240 L C 0.0000
241 L C 0.0000
242 T C 0.0000
243 F C 0.0000
244 G C 0.0000
245 V C -0.0566
246 G C 0.0000
247 N C -0.8488
248 A C -0.9057
249 P C -1.8152
250 Q C -2.5654
251 N C -2.4972
252 P C -1.8364
253 E C -2.2141
254 L C 0.0000
255 L C 0.0000
256 A C -1.4661
257 Q C -1.5133
258 L C 0.0000
259 K C -2.6552
260 A C -1.9014
261 A C 0.0000
262 S C -2.0501
263 E C -3.1178
264 R C -2.7764
265 G C -2.0023
266 V C 0.0000
267 I C 0.0000
268 V C 0.0000
269 V C 0.0000
270 N C 0.0000
271 L C 0.0000
272 T C -0.1113
273 Q C -0.0690
274 C C 0.0000
275 L C 0.1580
276 A C -0.4927
277 G C -0.7442
278 K C -0.5440
279 V C 0.0000
280 N C -0.9112
281 M C -0.5727
282 G C -0.9019
287 G C -0.7984
288 C C -0.7064
289 A C -1.2884
290 L C 0.0000
291 A C -1.1229
292 D C -2.1622
293 A C 0.0000
294 G C -1.4880
295 V C 0.0000
296 I C 0.0000
297 S C -0.1880
298 G C 0.0000
299 Y C 0.2150
300 D C 0.0000
301 M C 0.0000
302 T C 0.0000
303 P C -0.1030
304 E C 0.0000
305 A C 0.0000
306 A C 0.0000
307 L C 0.0000
308 A C 0.0000
309 K C 0.0000
310 L C 0.0000
311 H C 0.0000
312 Y C 0.0271
313 L C 0.0000
314 L C -0.1189
315 S C -0.3299
316 Q C -0.6731
317 N C -1.1913
318 L C -0.7464
319 S C -1.0237
320 Y C -1.3354
321 E C -2.4930
322 E C -2.3938
323 V C 0.0000
324 K C -1.7293
325 A C -1.8024
326 K C -1.8084
327 M C 0.0000
328 Q C -0.7437
329 Q C -0.7990
330 V C 0.7342
331 L C 0.1809
332 R C -0.2879
333 G C -0.0381
334 E C 0.0000
335 M C 0.0000
336 T C 0.7890
337 L C 1.3745
2 A D -0.8695
3 R D -2.0164
4 K D -1.9641
5 H D -1.0699
6 I D 0.0000
7 Y D 0.0000
8 I D 0.0000
9 A D 0.0000
10 Y D 0.0000
11 T D 0.0000
12 G D 0.0000
13 G D -0.3010
14 T D -0.1181
15 I D 0.0000
16 G D 0.0000
17 M D 0.3113
18 K D -1.0348
19 K D -1.2803
20 S D -0.5186
25 V D 0.8030
26 P D 0.5232
27 V D 1.1454
28 A D 0.7488
29 G D 0.3602
30 F D 1.3000
31 M D 0.2811
32 E D 0.0000
33 K D -1.1005
34 Q D -1.1350
35 L D -0.4218
36 A D 0.0000
37 S D -0.8030
38 M D -0.4706
39 P D -0.6887
40 E D -0.9419
41 F D 0.0000
42 H D -1.3868
43 R D -1.3768
44 P D -1.6179
45 E D -2.3658
46 M D 0.0000
47 P D 0.0000
48 L D -0.2400
49 F D 0.3216
50 T D 0.1002
51 I D -0.2652
52 H D -0.7039
53 E D -0.6206
54 Y D 0.0000
55 D D -2.0031
56 P D -1.4898
57 L D -0.7746
58 M D 0.0000
59 D D -2.1360
60 S D -1.4264
61 S D -1.5324
62 D D -2.3840
63 M D 0.0000
64 T D -0.5221
65 P D 0.0000
66 A D -0.0653
67 D D -0.3322
68 W D 0.0000
69 Q D -0.2332
70 L D 0.2561
71 I D 0.0000
72 A D 0.0000
73 D D -0.9391
74 D D -0.6008
75 I D 0.0000
76 A D -0.9994
77 A D -0.9377
78 N D -1.4579
79 Y D -1.7537
80 D D -2.7344
81 K D -2.7401
82 Y D -1.8416
83 D D -1.9545
84 G D 0.0000
85 F D 0.0000
86 V D 0.0000
87 I D 0.0000
88 L D 0.0000
89 H D 0.0000
90 G D 0.0000
91 T D -0.2972
92 D D -0.6510
93 T D 0.0000
94 M D 0.0000
95 A D 0.0000
96 Y D 0.0000
97 T D 0.0000
98 A D 0.0000
99 S D 0.0000
100 A D 0.0000
101 L D 0.0000
102 S D 0.0000
103 F D 0.0000
104 M D 0.0000
105 F D 0.0000
106 E D -1.4515
107 N D -1.8688
108 L D -1.4216
109 G D -2.0177
110 K D -1.6819
111 P D 0.0000
112 V D 0.0000
113 I D 0.0000
114 V D 0.0000
115 T D 0.0000
116 G D 0.0000
117 S D 0.0000
118 Q D -0.4864
119 I D -0.3474
120 P D 0.0000
121 L D 0.0000
122 A D -0.5543
123 D D -0.7861
124 L D -0.3648
125 R D -0.5404
126 S D -0.5121
127 D D -0.6766
128 G D 0.0000
129 Q D -0.3616
130 A D -0.4810
131 N D 0.0000
132 L D 0.0000
133 L D -0.0103
134 N D 0.0000
135 A D 0.0000
136 L D 0.0000
137 H D -0.6964
138 V D 0.0000
139 A D 0.0000
140 A D 0.0000
141 N D -1.6955
142 Y D -0.8459
143 P D -1.4303
144 I D 0.0000
145 N D -1.8584
146 E D -1.0629
147 V D 0.0000
148 T D 0.0000
149 L D 0.0000
150 F D 0.0000
151 F D 0.0000
152 N D -1.1208
153 N D -2.0586
154 R D -2.1412
155 L D 0.0000
156 M D 0.0000
157 R D -0.4410
158 G D 0.0000
159 N D 0.0000
160 R D 0.0000
161 S D 0.0000
162 R D -0.3383
163 K D 0.0000
164 S D 0.0000
165 H D -0.6103
166 A D -0.7543
167 D D -1.6322
168 G D -1.1078
169 F D -0.1154
170 S D 0.0000
171 A D 0.0000
172 F D 0.0000
173 S D -0.3749
174 S D -0.2951
175 P D -0.2224
176 N D -0.3129
177 L D -0.1375
178 P D -0.6991
179 P D -0.9290
180 L D 0.0000
181 L D 0.0000
182 E D -3.1084
183 A D 0.0000
184 G D -1.5466
185 I D -0.5274
186 N D -1.5942
187 I D 0.0000
188 E D -2.5277
189 L D -1.2888
190 S D -1.2551
191 T D -1.0673
192 N D -1.5719
193 V D -1.5114
194 K D -2.7273
195 V D -1.9801
196 D D -3.5671
197 E D -4.0020
198 K D -3.4467
199 P D -2.3121
200 S D -1.4512
201 G D -1.7657
202 E D -2.4496
203 F D -1.7006
204 K D -2.1213
205 V D -0.9485
206 N D 0.0000
207 P D -0.5372
208 I D 0.0000
209 T D -0.3457
210 P D -0.3210
211 Q D -0.3385
212 P D -0.5859
213 I D 0.0000
214 G D 0.0000
215 V D 0.0000
216 I D 0.0000
217 T D 0.0000
218 M D 0.0000
219 Y D 0.0000
220 P D 0.0000
221 G D -0.4694
222 I D 0.0000
223 S D -1.1667
224 H D -1.8685
225 E D -2.0751
226 V D 0.0000
227 I D 0.0000
228 R D -1.7858
229 N D 0.0000
230 T D 0.0000
231 L D 0.0000
232 L D -0.7324
233 Q D -1.5141
234 P D -1.0584
235 V D 0.0000
236 N D -0.8282
237 A D 0.0000
238 M D 0.0000
239 I D 0.0000
240 L D 0.0000
241 L D 0.0774
242 T D 0.0000
243 F D 0.0000
244 G D 0.0000
245 V D -0.0496
246 G D 0.0000
247 N D -0.4522
248 A D -0.5256
249 P D -1.3227
250 Q D -2.1763
251 N D -2.1004
252 P D -1.7437
253 E D -2.6078
254 L D 0.0000
255 L D -1.4459
256 A D -1.3237
257 Q D -1.4820
258 L D 0.0000
259 K D -2.3918
260 A D -1.8660
261 A D 0.0000
262 S D -2.0035
263 E D -3.0918
264 R D -3.1020
265 G D -2.1070
266 V D 0.0000
267 I D 0.0000
268 V D 0.0000
269 V D 0.0000
270 N D 0.0000
271 L D 0.0000
272 T D -0.0641
273 Q D -0.0683
274 C D 0.0000
275 L D 0.1427
276 A D 0.0118
277 G D -0.1414
278 K D -0.3060
279 V D 0.0000
280 N D -0.0971
281 M D -0.0045
282 G D -0.3783
283 G D 0.3047
284 Y D 1.0193
285 A D 0.6722
286 T D 0.2187
287 G D 0.0107
288 C D 0.0026
289 A D -0.7353
290 L D 0.0000
291 A D -0.9370
292 D D -1.8814
293 A D 0.0000
294 G D -1.2907
295 V D 0.0000
296 I D 0.0000
297 S D -0.2243
298 G D 0.0000
299 Y D 0.3493
300 D D 0.0000
301 M D 0.0000
302 T D 0.0000
303 P D -0.0811
304 E D 0.0000
305 A D 0.0000
306 A D 0.0000
307 L D 0.0000
308 A D 0.0000
309 K D 0.0000
310 L D 0.0000
311 H D 0.0000
312 Y D 0.0000
313 L D 0.0000
314 L D -0.2981
315 S D -0.4200
316 Q D -0.7612
317 N D -1.2347
318 L D -0.8562
319 S D -1.0420
320 Y D -1.3139
321 E D -2.3880
322 E D -2.2665
323 V D 0.0000
324 K D -1.6255
325 A D -1.6331
326 K D -1.4344
327 M D 0.0000
328 Q D -0.8364
329 Q D -0.5665
330 V D 0.6656
331 L D 0.1076
332 R D -0.2825
333 G D -0.0614
334 E D 0.0000
335 M D 0.0000
336 T D 0.7087
337 L D 1.4408
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Laboratory of Theory of Biopolymers 2018