Project name: 5d39850348979e7 [mutate: LA55B, LM119A]

Status: done

Started: 2025-07-25 06:04:06
Settings
Chain sequence(s) A: IPSSQYGFVFNKQSGLNLRNDLPVHKPKAGQLLLKVDAVGLHSDLHIYEGLCGDNYVMGHEIAGTVAAVGDDVINYKVGDRVACVGPNGCGGCKYCRGAIDNVCKNAFGDWFGLGYDGGYQQYLLVTRPRNLSRIPDNVSADVAAASTDAVLTPYHAIKMAQVSPTSNILLIGAGGLGGNAIQVAKAFGAKVTVLDKKKEARDQAKKLGADAVYETLPESISPGSFSACFDFVSVQATFDVCQKYVEPKGVIMPVGLGAPNLSFNLGDLALREIRILGSFWGTTNDLDDVLKLVSEGKVKPVVRSAKLKELPEYIEKLRNNVVFNP
C: LNLNDLPVHKPKAGQLLLKVDAVGLHSDLHGDNVMGHEIAGTVAAVGDDVINYKVGDRVACVGPNGCGGCKYCRGAIDNVCKNAFGDWFGLGYDGYQQYLLVTRPRNLSRIPDNVSADVAAASTDAVLTPYHAIKMAQVSPTSNILLIGAGGLGGNAIQVAKAFGAKVTVLDKKKEARDQAKKLGADAVYETLPESISPGSFSACFDFVSVQATFDVCQKYVEPKGVIMPVGLGAPNLSFNLGDLALREIRILGSFWGTTNDLDDVLKLVSEGKVKPVVRSAKLKELPEYIEKLRNNVVFNP
B: SIPSSQYGFVFNKQSGLNLRNDLPVHKPKAGQLLLKVDAVGLCHSDLHVIYEGLDCGDNYVMGHEEIAGTVAAVGDDVINYKVGDRVACVGPNGCGGCKYCRGAIDNVCKNAFGDWFGLGYDGGYQQYLLVTRPRNLSRIPDNVSADVAAASTDAVLTPYHAIKMAQVSPTSNILLIGAGGLGGNAIQVAKAFGAKVTVLDKKKEARDQAKKLGADAVYETLPESISPGSFSACFDFVSVQATFDVCQKYVEPKGVIMPVGLGAPNLSFNLGDLALREIRILGSFWGTTNDLDDVLKLVSEGKVKPVVRSAKLKELPEYIEKLRNNAYEGRVVFNP
D: PVHKPKAGQLLLKVDAVGLDLHVINYVMHEIAGTVNYKVGDRVACVGPNGCGGCKYCRGAIDNVCKNAFGDWFGLGYYQQYLLVTRPRNLSRIPDNVSADVAAASTDAVLTPYHAIKMAQVSPTSNILLIGAGGLGGNAIQVAKAFGAKVTVLDKKKEARDQAKKLGADAVYETLPESISPGSFSACFDFVSVQATFDVCQKYVEPKGVIMPVGLGAPNLSFNLGDLALREIRILGSFWGTTNDLDDVLKLVSEGKVKPVVRKELPERVV
input PDB
Selected Chain(s) A,C,B,D
Distance of aggregation 10 Å
FoldX usage Yes
Dynamic mode No
Automated mutations No
Mutated residues LM119A,LA55B
Energy difference between WT (input) and mutated protein (by FoldX) 2.19235 kcal/mol

CAUTION: Your mutation/s can destabilize the protein structure

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]       FoldX:    Building mutant model                                                       (00:19:36)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:19:59)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:29:35)
[INFO]       Main:     Simulation completed successfully.                                          (00:29:56)
Show buried residues

Minimal score value
-4.3702
Maximal score value
2.4102
Average score
-0.6681
Total score value
-823.7766

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
3 I A 1.7913
4 P A 0.5331
5 S A -0.4893
6 S A -0.9195
7 Q A 0.0000
8 Y A -1.4744
9 G A 0.0000
10 F A 0.0000
11 V A 0.0000
12 F A 0.0000
13 N A -2.8457
14 K A -2.9268
15 Q A -2.6131
16 S A -1.6746
17 G A -1.3047
18 L A -0.8290
19 N A -1.3457
20 L A -1.3467
21 R A -2.5485
22 N A -2.6934
23 D A -2.8398
24 L A 0.0000
25 P A -1.2806
26 V A -0.8251
27 H A -2.0096
28 K A -2.5417
29 P A -2.1432
30 K A -2.9117
31 A A -2.6877
32 G A -1.6751
33 Q A -1.6047
34 L A 0.0000
35 L A 0.0000
36 L A 0.0000
37 K A -0.9284
38 V A 0.0000
39 D A -1.1661
40 A A 0.0000
41 V A 0.0000
42 G A 0.0000
43 L A 0.0845
45 H A -1.4606
46 S A -0.6903
47 D A 0.0000
48 L A 0.0000
49 H A -0.7737
51 I A 0.2494
52 Y A 0.1732
53 E A -1.1368
54 G A -0.4496
55 L A 0.9488
57 C A 0.3882
58 G A -1.2867
59 D A -3.1542
60 N A -2.7752
61 Y A 0.0000
62 V A 0.0000
63 M A 0.0000
64 G A 0.0000
65 H A 0.0000
66 E A 0.0000
67 I A 0.0000
68 A A 0.0000
69 G A 0.0000
70 T A -0.9989
71 V A 0.0000
72 A A 0.2471
73 A A 0.1236
74 V A -0.6203
75 G A -2.0478
76 D A -2.7042
77 D A -2.3921
78 V A -0.8009
79 I A 0.8734
80 N A 0.0957
81 Y A 0.0000
82 K A -0.7599
83 V A 0.3848
84 G A -0.5576
85 D A -1.4087
86 R A -1.8162
87 V A 0.0000
88 A A 0.0000
89 C A 0.0000
90 V A 0.0000
91 G A 0.0000
92 P A 0.0000
93 N A 0.0000
94 G A 0.0000
95 C A -0.4703
96 G A 0.0000
97 G A -0.8101
98 C A -1.1647
99 K A -1.5259
100 Y A -0.7956
101 C A 0.0000
102 R A 0.0000
103 G A -0.3592
104 A A -0.1639
105 I A 0.0952
106 D A 0.0000
107 N A 0.0000
108 V A 0.0000
109 C A 0.0000
110 K A -1.6026
111 N A -1.6762
112 A A 0.0000
113 F A 0.2818
114 G A -0.3916
115 D A -0.4165
116 W A 0.0000
117 F A 0.0000
118 G A 0.0000
119 M A -0.0958 mutated: LM119A
120 G A -0.6889
121 Y A -0.5248
122 D A -0.6912
123 G A 0.0000
124 G A 0.0000
125 Y A 0.0000
126 Q A 0.0000
127 Q A -0.6901
128 Y A 0.0000
129 L A 0.0000
130 L A -0.7337
131 V A 0.0000
132 T A -0.4584
133 R A -0.4159
134 P A -0.2340
135 R A 0.0000
136 N A 0.0000
137 L A 0.0000
138 S A 0.0000
139 R A -2.4895
140 I A 0.0000
141 P A -2.3866
142 D A -2.8179
143 N A -2.4906
144 V A 0.0000
145 S A -0.9524
146 A A -0.7984
147 D A -0.4661
148 V A -0.1088
149 A A 0.0000
150 A A 0.0000
151 A A 0.0466
152 S A 0.0000
153 T A 0.0000
154 D A -0.2455
155 A A 0.0823
156 V A 0.0000
157 L A 0.0000
158 T A 0.0417
159 P A 0.0000
160 Y A 0.0000
161 H A 0.0000
162 A A 0.0000
163 I A 0.0000
164 K A -0.9863
165 M A -0.5231
166 A A -0.7720
167 Q A -1.5183
168 V A 0.0000
169 S A -0.8632
170 P A 0.0000
171 T A -0.6895
172 S A -0.5534
173 N A -0.5814
174 I A 0.0000
175 L A 0.0000
176 L A 0.0000
177 I A 0.0000
178 G A -0.5500
179 A A 0.0000
180 G A -0.9767
181 G A -0.3504
182 L A 0.0577
183 G A 0.0000
184 G A 0.0000
185 N A 0.0000
186 A A 0.0000
187 I A 0.0000
188 Q A -0.7153
189 V A 0.0000
190 A A 0.0000
191 K A -1.0991
192 A A -0.5896
193 F A 0.0000
194 G A -0.6240
195 A A 0.0000
196 K A -1.6948
197 V A 0.0000
198 T A 0.0000
199 V A 0.0000
200 L A 0.0000
201 D A 0.0000
202 K A -3.7559
203 K A -4.3702
204 K A -4.3280
205 E A -3.8053
206 A A -3.2485
207 R A -3.3475
208 D A -2.9381
209 Q A -2.6458
210 A A 0.0000
211 K A -3.1580
212 K A -2.9497
213 L A -1.8677
214 G A -1.8830
215 A A -2.1239
216 D A -2.5206
217 A A -1.1083
218 V A -0.8734
219 Y A -1.0952
220 E A -2.7584
221 T A -1.1940
222 L A -0.5466
223 P A -1.0629
224 E A -1.8711
225 S A -0.9921
226 I A -0.4436
227 S A -0.7984
228 P A -0.9978
229 G A -0.9303
230 S A -0.5858
231 F A 0.0000
232 S A -0.5395
233 A A 0.0000
234 C A 0.0000
235 F A 0.0000
236 D A 0.0000
237 F A 0.7081
238 V A 0.8081
239 S A 0.0000
240 V A 0.1858
241 Q A -0.6661
242 A A -0.3616
243 T A 0.0000
244 F A 0.0000
245 D A -1.7720
246 V A -0.7946
247 C A 0.0000
248 Q A 0.0000
249 K A -1.9655
250 Y A 0.0000
251 V A 0.0000
252 E A -1.0597
253 P A -0.8885
254 K A -0.6906
255 G A 0.0000
256 V A 0.0000
257 I A 0.0000
258 M A 0.0000
259 P A 0.0000
260 V A 0.7308
261 G A 1.0654
262 L A 1.4073
263 G A 0.4024
264 A A -0.1427
265 P A -0.6629
266 N A -1.2347
267 L A 0.0000
268 S A -1.0520
269 F A 0.0000
270 N A -1.8939
271 L A 0.0000
272 G A -0.7598
273 D A -1.0932
274 L A 0.0000
275 A A 0.0000
276 L A 0.1453
277 R A -0.6719
278 E A 0.0000
279 I A 0.0000
280 R A -0.7845
281 I A 0.0000
282 L A 0.0000
283 G A 0.0000
284 S A 0.1322
285 F A 0.3272
286 W A 0.0000
287 G A 0.0000
288 T A 0.0000
289 T A 0.0000
290 N A -0.7593
291 D A 0.0000
292 L A 0.0000
293 D A -1.4019
294 D A -0.8231
295 V A 0.0000
296 L A 0.0000
297 K A -2.0546
298 L A 0.0000
299 V A 0.0000
300 S A -2.4482
301 E A -3.0030
302 G A -2.3972
303 K A -2.1274
304 V A 0.0000
305 K A -1.6456
306 P A 0.0000
307 V A 1.2005
308 V A 0.2685
309 R A -1.2438
310 S A -1.3708
311 A A -1.6358
312 K A -2.4217
313 L A 0.0000
314 K A -1.9603
315 E A -2.1677
316 L A 0.0000
317 P A -1.9646
318 E A -2.9958
319 Y A -2.1927
320 I A -2.4580
321 E A -3.9342
322 K A -3.9007
323 L A -2.9194
324 R A -3.3543
325 N A -3.3771
326 N A -2.9454
332 V A 0.0627
333 V A 0.0000
334 F A 0.0000
335 N A -1.6725
336 P A -1.3598
2 S B 0.1067
3 I B 0.3664
4 P B 0.0020
5 S B -0.6760
6 S B -0.9681
7 Q B 0.0000
8 Y B -1.2620
9 G B 0.0000
10 F B 0.0000
11 V B -0.8873
12 F B 0.0000
13 N B -2.7510
14 K B -3.4420
15 Q B -2.5726
16 S B -1.5960
17 G B -1.4146
18 L B -1.0228
19 N B -1.4116
20 L B -1.2383
21 R B -2.2043
22 N B -2.6562
23 D B -2.7328
24 L B 0.0000
25 P B -1.1539
26 V B -0.7306
27 H B -1.5929
28 K B -2.2545
29 P B 0.0000
30 K B -2.8383
31 A B -2.6846
32 G B -2.0369
33 Q B -1.6002
34 L B 0.0000
35 L B 0.0000
36 L B 0.0000
37 K B -0.4148
38 V B 0.0000
39 D B -0.8569
40 A B 0.0000
41 V B 0.0000
42 G B 0.0000
43 L B 0.0000
44 C B 0.0000
45 H B -1.2445
46 S B -0.5827
47 D B 0.0000
48 L B 0.0000
49 H B -1.3018
50 V B 0.0000
51 I B -0.5712
52 Y B -0.4649
53 E B -1.9747
54 G B -1.9428
55 A B -1.6130 mutated: LA55B
56 D B -2.6990
57 C B -1.3201
58 G B -1.9327
59 D B -3.0731
60 N B -2.5243
61 Y B 0.0000
62 V B 0.0000
63 M B 0.0000
64 G B 0.0000
65 H B 0.0000
66 E B 0.0000
67 I B 0.0000
68 A B 0.0000
69 G B 0.0000
70 T B -0.7601
71 V B 0.0000
72 A B 0.1873
73 A B -0.0513
74 V B -0.7041
75 G B 0.0000
76 D B -2.6554
77 D B -2.6821
78 V B -1.0498
79 I B 0.4756
80 N B -0.8356
81 Y B -0.6184
82 K B -0.8084
83 V B 0.5577
84 G B -0.4493
85 D B -1.2820
86 R B -1.5887
87 V B 0.0000
88 A B 0.0000
89 C B 0.0000
90 V B 0.0000
91 G B 0.0000
92 P B 0.0000
93 N B 0.0000
94 G B 0.0000
95 C B 0.0121
96 G B -0.4080
97 G B -0.2721
98 C B 0.0000
99 K B -1.5624
100 Y B -0.8570
101 C B 0.0000
102 R B 0.0000
103 G B -0.4035
104 A B -0.1643
105 I B 0.0699
106 D B 0.0000
107 N B 0.0000
108 V B 0.0000
109 C B 0.0000
110 K B -1.7801
111 N B -0.7510
112 A B 0.0000
113 F B 0.3037
114 G B -0.6554
115 D B -0.5177
116 W B 0.0000
117 F B 0.0000
118 G B 0.0000
119 L B 0.0000
120 G B -1.0325
121 Y B -0.5316
122 D B -0.5840
123 G B 0.0000
124 G B 0.0000
125 Y B 0.0000
126 Q B 0.0000
127 Q B -0.3414
128 Y B -0.1508
129 L B 0.0000
130 L B -0.5312
131 V B 0.0000
132 T B -0.7126
133 R B -0.6678
134 P B -0.5046
135 R B -0.6293
136 N B 0.0000
137 L B 0.0000
138 S B 0.0000
139 R B -2.0209
140 I B 0.0000
141 P B -2.3023
142 D B -2.7093
143 N B -2.4423
144 V B 0.0000
145 S B -0.8986
146 A B -0.7195
147 D B -0.5121
148 V B -0.1917
149 A B 0.0000
150 A B 0.0000
151 A B 0.0000
152 S B 0.0000
153 T B 0.0000
154 D B 0.0000
155 A B 0.0000
156 V B 0.0000
157 L B 0.0000
158 T B 0.0000
159 P B 0.0000
160 Y B 0.0000
161 H B 0.0000
162 A B 0.0000
163 I B 0.0000
164 K B -1.2898
165 M B -0.6744
166 A B -0.8501
167 Q B -1.6227
168 V B 0.0000
169 S B -0.9194
170 P B 0.0000
171 T B -0.5995
172 S B -0.5780
173 N B -0.6718
174 I B 0.0000
175 L B 0.0000
176 L B 0.0000
177 I B 0.0000
178 G B 0.0000
179 A B 0.0000
180 G B -0.6923
181 G B -0.1351
182 L B 0.1514
183 G B 0.0000
184 G B 0.0000
185 N B 0.0000
186 A B 0.0000
187 I B 0.0000
188 Q B 0.0000
189 V B 0.0000
190 A B 0.0000
191 K B -1.1653
192 A B -0.5770
193 F B 0.0000
194 G B -0.6413
195 A B 0.0000
196 K B -1.8006
197 V B 0.0000
198 T B 0.0000
199 V B 0.0000
200 L B 0.0000
201 D B -2.1968
202 K B -3.0718
203 K B -3.1046
204 K B -3.5316
205 E B -3.1286
206 A B 0.0000
207 R B -2.9772
208 D B -2.7778
209 Q B -2.3721
210 A B 0.0000
211 K B -3.1057
212 K B -2.7596
213 L B -1.9340
214 G B -1.8681
215 A B -2.0249
216 D B -2.3804
217 A B -1.1475
218 V B -0.9536
219 Y B -1.2858
220 E B -2.5984
221 T B -1.3057
222 L B 0.0000
223 P B -1.1675
224 E B -1.9278
225 S B -1.0492
226 I B -0.5282
227 S B -0.8210
228 P B -0.9829
229 G B 0.0000
230 S B -0.5469
231 F B 0.0000
232 S B -0.3625
233 A B 0.0000
234 C B 0.0000
235 F B 0.0000
236 D B 0.0000
237 F B 0.6403
238 V B 0.8364
239 S B 0.0000
240 V B 0.3398
241 Q B -0.5267
242 A B -0.2666
243 T B 0.0000
244 F B 0.0000
245 D B -1.7891
246 V B -0.8778
247 C B 0.0000
248 Q B 0.0000
249 K B -2.0090
250 Y B 0.0000
251 V B 0.0000
252 E B -0.9639
253 P B 0.0000
254 K B -0.4827
255 G B 0.0000
256 V B 0.0000
257 I B 0.0000
258 M B 0.0000
259 P B 0.0000
260 V B 0.0000
261 G B 0.0000
262 L B 0.5035
263 G B 0.0814
264 A B -0.3339
265 P B -0.9281
266 N B -1.4946
267 L B 0.0000
268 S B -1.0040
269 F B 0.0000
270 N B -1.7351
271 L B 0.0000
272 G B -0.3473
273 D B -0.9138
274 L B 0.0000
275 A B 0.0000
276 L B 0.2235
277 R B -0.4577
278 E B 0.0000
279 I B 0.0000
280 R B -0.6684
281 I B 0.0000
282 L B 0.0000
283 G B 0.0000
284 S B 0.0000
285 F B 0.2647
286 W B 0.0000
287 G B 0.0000
288 T B 0.0000
289 T B 0.0000
290 N B -0.5593
291 D B 0.0000
292 L B 0.0000
293 D B -1.2902
294 D B -0.9608
295 V B 0.0000
296 L B 0.0000
297 K B -2.5894
298 L B 0.0000
299 V B -1.8836
300 S B -2.5420
301 E B -2.9588
302 G B -2.2561
303 K B -2.1236
304 V B 0.0000
305 K B -1.8837
306 P B 0.0000
307 V B -0.2641
308 V B -0.3583
309 R B -1.0866
310 S B -1.0389
311 A B -1.4556
312 K B -2.1291
313 L B 0.0000
314 K B -2.3307
315 E B -2.4342
316 L B 0.0000
317 P B -2.1328
318 E B -3.0052
319 Y B -2.3145
320 I B 0.0000
321 E B -3.8601
322 K B -3.3270
323 L B -2.9936
324 R B -3.6848
325 N B -3.3619
326 N B -3.0117
327 A B -2.0120
328 Y B -1.3438
329 E B -1.1660
330 G B -0.3136
331 R B 0.0000
332 V B 0.0000
333 V B 0.0000
334 F B 0.0000
335 N B -1.4005
336 P B -1.0638
18 L C 0.8648
19 N C 0.1414
20 L C 0.6217
22 N C -1.5220
23 D C -1.3561
24 L C 0.5234
25 P C 0.3521
26 V C 0.8720
27 H C -0.9379
28 K C -2.0804
29 P C 0.0000
30 K C -2.9208
31 A C -2.8056
32 G C -1.7728
33 Q C -1.7439
34 L C 0.0000
35 L C 0.0000
36 L C 0.0000
37 K C -1.0716
38 V C 0.0000
39 D C -1.2714
40 A C 0.0000
41 V C 0.0000
42 G C 0.0000
43 L C 0.2413
45 H C -1.4577
46 S C -0.9728
47 D C -0.6153
48 L C -1.1254
49 H C -1.2145
58 G C -1.8989
59 D C -2.4052
60 N C -1.8663
62 V C 0.0226
63 M C 0.2746
64 G C 0.0000
65 H C 0.0000
66 E C 0.0000
67 I C 0.0000
68 A C 0.0000
69 G C 0.0000
70 T C -0.7711
71 V C 0.0000
72 A C 0.1519
73 A C -0.1093
74 V C -0.3518
75 G C 0.0000
76 D C -2.5777
77 D C -2.4016
78 V C -0.6418
79 I C 0.9946
80 N C 0.2237
81 Y C 0.0000
82 K C -0.4887
83 V C 0.7032
84 G C -0.2943
85 D C 0.0000
86 R C -1.5320
87 V C 0.0000
88 A C 0.0000
89 C C 0.0000
90 V C 0.0000
91 G C 0.0000
92 P C 0.0000
93 N C 0.0000
94 G C 0.0000
95 C C -0.8208
96 G C -0.5996
97 G C -0.7706
98 C C -0.8299
99 K C -1.0433
100 Y C -0.6125
101 C C 0.0000
102 R C -0.4681
103 G C -0.3179
104 A C -0.1608
105 I C 0.1212
106 D C 0.0000
107 N C 0.0000
108 V C 0.0000
109 C C 0.0000
110 K C -1.6007
111 N C -1.7829
112 A C 0.0000
113 F C -0.3407
114 G C -1.2015
115 D C -1.3636
116 W C -0.3539
117 F C 0.0000
118 G C 0.0000
119 L C -0.4405
120 G C -1.3508
121 Y C -0.9292
122 D C -0.7672
124 G C 0.0000
125 Y C 0.0000
126 Q C -0.5655
127 Q C -0.9166
128 Y C -0.1047
129 L C 0.0000
130 L C -0.5063
131 V C 0.0000
132 T C -0.9435
133 R C -1.2825
134 P C -0.6391
135 R C 0.0000
136 N C 0.0000
137 L C 0.0000
138 S C 0.0000
139 R C -1.9681
140 I C 0.0000
141 P C -2.1879
142 D C -2.7345
143 N C -2.4486
144 V C 0.0000
145 S C -0.9536
146 A C -0.7909
147 D C -0.3958
148 V C -0.0383
149 A C 0.0000
150 A C 0.0000
151 A C 0.1047
152 S C 0.0000
153 T C 0.0000
154 D C -0.3286
155 A C -0.0501
156 V C 0.0000
157 L C 0.0000
158 T C 0.0076
159 P C 0.0000
160 Y C 0.0000
161 H C 0.0000
162 A C 0.0000
163 I C 0.0000
164 K C -0.9958
165 M C -0.5349
166 A C -0.7681
167 Q C -1.5224
168 V C 0.0000
169 S C -0.8665
170 P C 0.0000
171 T C -0.5631
172 S C -0.5815
173 N C -0.6227
174 I C 0.0000
175 L C 0.0000
176 L C 0.0000
177 I C 0.0000
178 G C -0.5188
179 A C 0.0000
180 G C -1.0040
181 G C -0.4702
182 L C -0.0713
183 G C 0.0000
184 G C 0.0000
185 N C -0.2932
186 A C 0.0000
187 I C 0.0000
188 Q C -0.7178
189 V C 0.0000
190 A C 0.0000
191 K C -1.0532
192 A C -0.5163
193 F C 0.0000
194 G C -0.6422
195 A C 0.0000
196 K C -1.7082
197 V C 0.0000
198 T C 0.0000
199 V C 0.0000
200 L C 0.0000
201 D C 0.0000
202 K C -3.6750
203 K C -4.1875
204 K C -4.2380
205 E C -3.9058
206 A C 0.0000
207 R C -3.2796
208 D C -2.8711
209 Q C -2.6166
210 A C 0.0000
211 K C -3.2795
212 K C -2.9489
213 L C -1.9096
214 G C -1.8933
215 A C -2.1152
216 D C -2.5148
217 A C -1.0909
218 V C -0.8356
219 Y C -1.1948
220 E C -2.7050
221 T C -1.1949
222 L C -0.5259
223 P C -1.0401
224 E C -1.8594
225 S C -0.9858
226 I C -0.4240
227 S C -0.7700
228 P C -1.0215
229 G C -0.8281
230 S C -0.5166
231 F C 0.0000
232 S C -0.4144
233 A C 0.0000
234 C C 0.0000
235 F C 0.0000
236 D C 0.0000
237 F C 0.6827
238 V C 0.8255
239 S C 0.0000
240 V C 0.2351
241 Q C -0.7041
242 A C -0.3941
243 T C -0.4070
244 F C 0.0000
245 D C -1.9339
246 V C -1.0176
247 C C 0.0000
248 Q C 0.0000
249 K C -2.0923
250 Y C 0.0000
251 V C 0.0000
252 E C -0.7452
253 P C -0.6475
254 K C -0.4690
255 G C 0.0000
256 V C 0.0000
257 I C 0.0000
258 M C 0.0000
259 P C 0.0000
260 V C 0.6808
261 G C 1.0450
262 L C 1.3605
263 G C 0.3776
264 A C -0.2143
265 P C -0.8200
266 N C -1.5841
267 L C 0.0000
268 S C -1.1953
269 F C 0.0000
270 N C -1.9285
271 L C 0.0000
272 G C -0.4860
273 D C -0.9732
274 L C 0.0000
275 A C 0.0000
276 L C 0.1785
277 R C -0.5061
278 E C 0.0000
279 I C 0.0000
280 R C -0.7352
281 I C 0.0000
282 L C 0.0000
283 G C 0.0000
284 S C 0.0000
285 F C 0.3190
286 W C 0.0000
287 G C 0.0000
288 T C 0.0000
289 T C 0.0000
290 N C -0.7223
291 D C 0.0000
292 L C 0.0000
293 D C -1.2136
294 D C -0.7224
295 V C 0.0000
296 L C 0.0000
297 K C -1.7093
298 L C 0.0000
299 V C 0.0000
300 S C -2.3023
301 E C -2.8738
302 G C -2.1223
303 K C -1.8779
304 V C 0.0000
305 K C -1.6248
306 P C 0.0000
307 V C 1.2108
308 V C 0.3404
309 R C -1.1165
310 S C -1.1896
311 A C -1.6065
312 K C -2.5274
313 L C -2.0754
314 K C -2.5424
315 E C -2.2794
316 L C 0.0000
317 P C -1.8489
318 E C -2.9724
319 Y C -2.1565
320 I C -2.2531
321 E C -4.0353
322 K C -4.1417
323 L C -3.0777
324 R C -3.9198
325 N C -3.7007
326 N C -3.1620
332 V C 0.4568
333 V C 0.0000
334 F C 0.0000
335 N C -1.7559
336 P C -1.7636
25 P D 0.1665
26 V D -0.0151
27 H D -1.3534
28 K D -2.2273
29 P D -2.0164
30 K D -2.4523
31 A D -1.9292
32 G D -1.9144
33 Q D -1.6662
34 L D 0.0000
35 L D -0.4077
36 L D 0.0000
37 K D -1.4058
38 V D -1.1664
39 D D -2.2369
40 A D 0.0000
41 V D 0.1281
42 G D 0.5652
43 L D 1.0549
47 D D -0.1206
48 L D 1.3248
49 H D 0.5856
50 V D 1.7485
51 I D 2.4102
60 N D -0.5819
61 Y D 0.8482
62 V D 1.8170
63 M D 1.1910
65 H D 0.3488
66 E D 0.0000
67 I D 0.0000
68 A D 0.0000
69 G D 0.0000
70 T D -0.7971
71 V D 0.1236
80 N D -1.6812
81 Y D -1.0729
82 K D -1.1133
83 V D 0.8238
84 G D -0.1760
85 D D 0.0000
86 R D -1.4282
87 V D 0.0000
88 A D 0.0000
89 C D 0.0000
90 V D 0.0000
91 G D 0.0000
92 P D 0.0000
93 N D 0.0000
94 G D 0.0000
95 C D -0.0311
96 G D 0.0000
97 G D -0.1670
98 C D 0.0000
99 K D -1.4582
100 Y D 0.0000
101 C D 0.0000
102 R D 0.0000
103 G D -0.3682
104 A D -0.1666
105 I D 0.0930
106 D D 0.0000
107 N D 0.0000
108 V D 0.0000
109 C D 0.0000
110 K D -1.8247
111 N D -0.8188
112 A D 0.0000
113 F D 0.0680
114 G D -0.3828
115 D D -0.3869
116 W D 0.1585
117 F D 0.0000
118 G D 0.0000
119 L D 0.4023
120 G D 0.1509
121 Y D 0.5694
125 Y D 0.8958
126 Q D -0.3803
127 Q D -1.3213
128 Y D -0.6315
129 L D -0.0461
130 L D 0.0000
131 V D 0.0000
132 T D -0.8839
133 R D -0.7492
134 P D -0.5811
135 R D -0.4904
136 N D 0.0000
137 L D 0.0000
138 S D 0.0000
139 R D -1.7489
140 I D 0.0000
141 P D -2.2469
142 D D -2.6773
143 N D -2.4811
144 V D 0.0000
145 S D -1.3430
146 A D -1.3124
147 D D -1.3620
148 V D -0.3707
149 A D 0.0000
150 A D 0.0000
151 A D 0.0000
152 S D 0.0000
153 T D 0.0000
154 D D -0.1227
155 A D 0.0000
156 V D 0.0000
157 L D 0.0000
158 T D 0.0382
159 P D 0.0000
160 Y D 0.0000
161 H D 0.0000
162 A D 0.0000
163 I D 0.0000
164 K D -0.9138
165 M D -0.4921
166 A D -0.7392
167 Q D -1.4991
168 V D 0.0000
169 S D -0.9355
170 P D 0.0000
171 T D -0.6800
172 S D -0.6430
173 N D -0.7085
174 I D 0.0000
175 L D 0.0000
176 L D 0.0000
177 I D 0.0000
178 G D -0.5726
179 A D 0.0000
180 G D -1.0521
181 G D -0.3161
182 L D -0.1238
183 G D 0.0000
184 G D 0.0000
185 N D 0.0000
186 A D 0.0000
187 I D 0.0000
188 Q D -0.6716
189 V D 0.0000
190 A D 0.0000
191 K D -1.0800
192 A D -0.5387
193 F D 0.0000
194 G D -0.7034
195 A D 0.0000
196 K D -1.7236
197 V D 0.0000
198 T D 0.0000
199 V D 0.0000
200 L D 0.0000
201 D D -2.6529
202 K D -3.7729
203 K D -4.2254
204 K D -4.2604
205 E D -3.9062
206 A D 0.0000
207 R D -3.3391
208 D D -2.8856
209 Q D -2.4997
210 A D 0.0000
211 K D -3.2610
212 K D -2.7408
213 L D -1.9045
214 G D -1.9033
215 A D -2.1387
216 D D -2.4007
217 A D -1.1473
218 V D -0.9066
219 Y D -1.3623
220 E D -2.8128
221 T D -1.2728
222 L D -0.5961
223 P D -1.0937
224 E D -1.8818
225 S D -1.0062
226 I D -0.4486
227 S D -0.7874
228 P D -1.0078
229 G D 0.0000
230 S D -0.5311
231 F D 0.0000
232 S D -0.4566
233 A D 0.0000
234 C D 0.0000
235 F D 0.0000
236 D D 0.0000
237 F D 0.5927
238 V D 0.7137
239 S D 0.0000
240 V D 0.2343
241 Q D -0.6524
242 A D -0.3557
243 T D -0.3908
244 F D 0.0000
245 D D -1.8517
246 V D -1.0252
247 C D 0.0000
248 Q D 0.0000
249 K D -2.1455
250 Y D 0.0000
251 V D 0.0000
252 E D -0.8943
253 P D 0.0000
254 K D -0.4669
255 G D 0.0000
256 V D 0.0000
257 I D 0.0000
258 M D 0.0000
259 P D 0.0000
260 V D 0.0000
261 G D 0.8749
262 L D 1.0485
263 G D 0.1787
264 A D -0.2651
265 P D -0.8776
266 N D -1.6144
267 L D 0.0000
268 S D -1.1690
269 F D 0.0000
270 N D -1.8816
271 L D 0.0000
272 G D -0.3908
273 D D -0.9700
274 L D 0.0000
275 A D 0.0000
276 L D 0.1720
277 R D -0.4740
278 E D 0.0000
279 I D 0.0000
280 R D -0.6880
281 I D 0.0000
282 L D 0.0000
283 G D 0.0000
284 S D 0.0000
285 F D 0.3125
286 W D 0.0000
287 G D 0.0000
288 T D 0.0000
289 T D 0.0000
290 N D -0.6174
291 D D 0.0000
292 L D 0.0000
293 D D -1.1782
294 D D 0.0000
295 V D 0.0000
296 L D 0.0000
297 K D -2.3961
298 L D 0.0000
299 V D 0.0000
300 S D -2.5841
301 E D -3.0819
302 G D -2.3539
303 K D -1.9491
304 V D 0.0000
305 K D -1.5977
306 P D 0.0000
307 V D 1.0034
308 V D -0.0760
309 R D -1.2288
314 K D -2.4339
315 E D -2.9987
316 L D -1.1619
317 P D -1.7051
318 E D -2.5431
331 R D -0.4010
332 V D 0.2022
333 V D 0.3908
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Laboratory of Theory of Biopolymers 2018