Project name: her

Status: done

Started: 2026-01-12 22:48:02
Settings
Chain sequence(s) A: DIQMTQSPSSLSASVGDRVTITCRASQDVNTAVAWYQQKPGKAPKLLIYSASFLYSGVPSRFSGSRSGTDFTLTISSLQPEDFATYYCQQHYTTPPTFGQGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGEC
C: EVQLVESGGGLVQPGGSLRLSCAASGFNIKDTYIHWVRQAPGKGLEWVARIYPTNGYTRYADSVKGRFTISADTSKNTAYLQMNSLRAEDTAVYYCSRWGGDGFYAMDYWGQGTLVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKSCDKTHTCPPCPAPELLGGPSVFLFPPKPKDTLMISRTPEVTCVVVDVSHEDPEVKFNWYVDGVEVHNAKTKPREEQYNSTYRVVSVLTVLHQDWLNGKEYKCKVSNKALPAPIEKTISKAKGQPREPQVYTLPPSREEMTKNQVSLTCLVKGFYPSDIAVEWESNGQPENNYKTTPPVLDSDGSFFLYSKLTVDKSRWQQGNVFSCSVMHEALHNHYTQKSLSLSPGK
B: DIQMTQSPSSLSASVGDRVTITCRASQDVNTAVAWYQQKPGKAPKLLIYSASFLYSGVPSRFSGSRSGTDFTLTISSLQPEDFATYYCQQHYTTPPTFGQGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGEC
D: EVQLVESGGGLVQPGGSLRLSCAASGFNIKDTYIHWVRQAPGKGLEWVARIYPTNGYTRYADSVKGRFTISADTSKNTAYLQMNSLRAEDTAVYYCSRWGGDGFYAMDYWGQGTLVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKSCDKTHTCPPCPAPELLGGPSVFLFPPKPKDTLMISRTPEVTCVVVDVSHEDPEVKFNWYVDGVEVHNAKTKPREEQYNSTYRVVSVLTVLHQDWLNGKEYKCKVSNKALPAPIEKTISKAKGQPREPQVYTLPPSREEMTKNQVSLTCLVKGFYPSDIAVEWESNGQPENNYKTTPPVLDSDGSFFLYSKLTVDKSRWQQGNVFSCSVMHEALHNHYTQKSLSLSPGK
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]                                                (00:00:02)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:02)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with all chain(s) selected           (00:00:02)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:02)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:03)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:27:08)
[INFO]       Main:     Simulation completed successfully.                                          (00:27:42)
Show buried residues

Minimal score value
-3.8053
Maximal score value
2.2203
Average score
-0.7509
Total score value
-997.2543

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 D A -2.3647
2 I A 0.0000
3 Q A -2.0182
4 M A 0.0000
5 T A -1.3599
6 Q A 0.0000
7 S A -0.7699
8 P A -0.4536
9 S A -0.7623
10 S A -0.5821
11 L A -0.3947
12 S A -0.8002
13 A A -0.9983
14 S A -0.9349
15 V A -0.2439
16 G A -0.9537
17 D A -2.0134
18 R A -2.3782
19 V A 0.0000
20 T A -0.6413
21 I A 0.0000
22 T A -0.7866
23 C A 0.0000
24 R A -2.7706
25 A A 0.0000
26 S A -2.1302
27 Q A -2.8655
28 D A -2.8356
29 V A 0.0000
30 N A -1.6418
31 T A -0.8004
32 A A 0.1387
33 V A 0.0000
34 A A 0.0000
35 W A 0.0000
36 Y A 0.0000
37 Q A 0.0000
38 Q A 0.0000
39 K A -1.9242
40 P A -1.4977
41 G A -1.6039
42 K A -2.6012
43 A A -1.6466
44 P A 0.0000
45 K A -1.4670
46 L A 0.0000
47 L A 0.0000
48 I A 0.0000
49 Y A 1.3720
50 S A 0.7767
51 A A 0.0000
52 S A 0.7511
53 F A 2.2133
54 L A 1.4499
55 Y A 0.5977
56 S A -0.0227
57 G A -0.4951
58 V A 0.0000
59 P A -0.4081
60 S A -0.4201
61 R A -0.7397
62 F A 0.0000
63 S A 0.1077
64 G A 0.0000
65 S A -0.5301
66 R A -1.5606
67 S A -1.2973
68 G A -1.8034
69 T A -2.2362
70 D A -1.9788
71 F A 0.0000
72 T A -0.7492
73 L A 0.0000
74 T A -0.5876
75 I A 0.0000
76 S A -1.3482
77 S A -1.2347
78 L A 0.0000
79 Q A -0.9802
80 P A -1.5606
81 E A -2.0691
82 D A 0.0000
83 F A 0.0000
84 A A 0.0000
85 T A -0.7439
86 Y A 0.0000
87 Y A 0.0000
88 C A 0.0000
89 Q A 0.0000
90 Q A 0.0000
91 H A 0.5927
92 Y A 0.8532
93 T A 0.1920
94 T A -0.4902
95 P A -0.9869
96 P A 0.0000
97 T A -0.7284
98 F A 0.0000
99 G A 0.0000
100 Q A -1.7973
101 G A 0.0000
102 T A 0.0000
103 K A -1.1354
104 V A 0.0000
105 E A -1.0544
106 I A 0.0000
107 K A -1.2653
108 R A -0.8189
109 T A -0.0937
110 V A 0.4045
111 A A 0.0420
112 A A -0.1060
113 P A 0.0000
114 S A -0.2134
115 V A 0.0000
116 F A 0.0000
117 I A 0.0000
118 F A 0.0000
119 P A -0.7272
120 P A 0.0000
121 S A -1.6964
122 D A -2.9030
123 E A -2.5115
124 Q A 0.0000
125 L A -2.1277
126 K A -2.6976
127 S A -1.6740
128 G A -1.2129
129 T A -0.9409
130 A A 0.0000
131 S A 0.0000
132 V A 0.0000
133 V A 0.0000
134 C A 0.0000
135 L A 0.0000
136 L A 0.0000
137 N A 0.0000
138 N A -0.7403
139 F A 0.0000
140 Y A 0.0000
141 P A -1.3179
142 R A -2.1613
143 E A -2.8123
144 A A -2.1250
145 K A -2.3764
146 V A -1.0977
147 Q A -0.6039
148 W A 0.0000
149 K A -0.4697
150 V A 0.0000
151 D A -1.6090
152 N A -1.3640
153 A A -0.1964
154 L A 0.7292
155 Q A -0.2661
156 S A -0.6382
157 G A -1.2631
158 N A -1.5742
159 S A -1.3727
160 Q A -1.2875
161 E A -1.4327
162 S A -0.7907
163 V A -0.6178
164 T A 0.0000
165 E A -2.1388
166 Q A 0.0000
167 D A -2.1904
168 S A -2.2174
169 K A -2.4942
170 D A -1.6842
171 S A 0.0000
172 T A 0.0000
173 Y A 0.0000
174 S A 0.0000
175 L A 0.0000
176 S A 0.0000
177 S A 0.0000
178 T A -0.6441
179 L A 0.0000
180 T A -0.6256
181 L A -0.7256
182 S A -0.9300
183 K A -1.9310
184 A A -1.7025
185 D A -2.2416
186 Y A 0.0000
187 E A -3.0998
188 K A -3.3039
189 H A -2.5107
190 K A -2.4121
191 V A -0.8745
192 Y A 0.0000
193 A A 0.0000
194 C A 0.0000
195 E A -0.6894
196 V A 0.0000
197 T A -1.2327
198 H A 0.0000
199 Q A -1.6757
200 G A -0.4228
201 L A -0.2512
202 S A -0.4675
203 S A -0.4237
204 P A -0.5640
205 V A 0.0385
206 T A -0.4165
207 K A -0.8346
208 S A -0.6647
209 F A 0.0000
210 N A -1.4230
211 R A -1.9506
212 G A -1.6652
213 E A -1.9702
214 C A -0.9831
1 D B -2.2715
2 I B 0.0000
3 Q B -2.3562
4 M B 0.0000
5 T B -1.4306
6 Q B 0.0000
7 S B -0.7608
8 P B -0.5000
9 S B -0.8468
10 S B -0.7291
11 L B -0.5741
12 S B -1.0479
13 A B 0.0000
14 S B -1.2560
15 V B -0.5362
16 G B -1.0288
17 D B -2.1533
18 R B -2.4275
19 V B 0.0000
20 T B -0.6522
21 I B 0.0000
22 T B -0.7672
23 C B 0.0000
24 R B -2.7950
25 A B 0.0000
26 S B -2.2321
27 Q B -2.7940
28 D B -2.8790
29 V B 0.0000
30 N B -1.8286
31 T B -0.8606
32 A B 0.1015
33 V B 0.0000
34 A B 0.0000
35 W B 0.0000
36 Y B 0.0000
37 Q B 0.0000
38 Q B 0.0000
39 K B -1.9681
40 P B -1.5319
41 G B -1.6259
42 K B -2.6068
43 A B -1.6336
44 P B 0.0000
45 K B -1.3839
46 L B 0.0000
47 L B 0.0000
48 I B 0.0000
49 Y B 1.3804
50 S B 0.7765
51 A B 0.0000
52 S B 0.7833
53 F B 2.2203
54 L B 1.4546
55 Y B 0.6081
56 S B -0.0169
57 G B -0.4817
58 V B 0.0000
59 P B -0.3441
60 S B -0.3998
61 R B -0.7110
62 F B 0.0000
63 S B 0.0980
64 G B 0.1505
65 S B -0.4471
66 R B -1.4339
67 S B -1.2360
68 G B -1.7927
69 T B -2.2273
70 D B -1.9107
71 F B 0.0000
72 T B -0.7123
73 L B 0.0000
74 T B -0.6014
75 I B 0.0000
76 S B -1.3508
77 S B -1.2900
78 L B 0.0000
79 Q B -0.8575
80 P B -1.5279
81 E B -1.9127
82 D B 0.0000
83 F B -1.1247
84 A B 0.0000
85 T B -0.8855
86 Y B 0.0000
87 Y B 0.0000
88 C B 0.0000
89 Q B 0.0000
90 Q B 0.0000
91 H B 0.6108
92 Y B 0.7802
93 T B 0.2371
94 T B -0.4613
95 P B -0.9696
96 P B 0.0000
97 T B -0.7987
98 F B 0.0000
99 G B 0.0000
100 Q B -1.8664
101 G B 0.0000
102 T B 0.0000
103 K B -1.4875
104 V B 0.0000
105 E B -1.2081
106 I B 0.0000
107 K B -1.8765
108 R B -1.1136
109 T B -0.1965
110 V B 0.3016
111 A B 0.0070
112 A B -0.1041
113 P B 0.0000
114 S B -0.2156
115 V B 0.0000
116 F B 0.0000
117 I B 0.0000
118 F B 0.0000
119 P B -0.7103
120 P B 0.0000
121 S B 0.0000
122 D B -2.9014
123 E B -2.5198
124 Q B 0.0000
125 L B -2.1483
126 K B -2.7081
127 S B -1.6824
128 G B -1.2179
129 T B -0.9425
130 A B 0.0000
131 S B 0.0000
132 V B 0.0000
133 V B 0.0000
134 C B 0.0000
135 L B 0.0000
136 L B 0.0000
137 N B 0.0000
138 N B -0.7800
139 F B 0.0000
140 Y B 0.0000
141 P B -1.6064
142 R B -2.5623
143 E B -3.0089
144 A B -2.2191
145 K B -2.3436
146 V B -0.9512
147 Q B -0.4328
148 W B 0.0000
149 K B -0.4513
150 V B 0.0000
151 D B -1.7399
152 N B -1.4233
153 A B -0.2315
154 L B 0.7438
155 Q B -0.2454
156 S B -0.6113
157 G B -1.2361
158 N B -1.5177
159 S B -1.3276
160 Q B -1.2740
161 E B -1.4296
162 S B -0.8266
163 V B -0.7601
164 T B -1.1912
165 E B -2.2605
166 Q B 0.0000
167 D B -2.1574
168 S B -2.1742
169 K B -2.4854
170 D B -1.6800
171 S B 0.0000
172 T B 0.0000
173 Y B 0.0000
174 S B 0.0000
175 L B 0.0000
176 S B 0.0000
177 S B 0.0000
178 T B -0.6357
179 L B 0.0000
180 T B -0.5987
181 L B -0.7175
182 S B -0.9305
183 K B -1.9362
184 A B -1.7052
185 D B -2.2318
186 Y B 0.0000
187 E B -3.1711
188 K B -3.3758
189 H B -2.6627
190 K B -2.5855
191 V B -0.9817
192 Y B 0.0000
193 A B 0.0000
194 C B 0.0000
195 E B -0.5034
196 V B 0.0000
197 T B -1.1774
198 H B 0.0000
199 Q B -1.7233
200 G B -0.4192
201 L B -0.2579
202 S B -0.4753
203 S B -0.4382
204 P B -0.5329
205 V B 0.0748
206 T B -0.3449
207 K B -0.8129
208 S B -0.6607
209 F B 0.0000
210 N B -1.4788
211 R B -2.0434
212 G B -1.6751
213 E B -1.9557
214 C B -0.9669
1 E C -2.0468
2 V C -1.2244
3 Q C -0.9842
4 L C 0.0000
5 V C 0.4785
6 E C 0.0000
7 S C -0.5433
8 G C -0.9403
9 G C -0.5618
10 G C -0.5291
11 L C -0.1353
12 V C 0.0000
13 Q C -1.6641
14 P C -1.7528
15 G C -1.4694
16 G C -1.1566
17 S C -1.3383
18 L C -1.2193
19 R C -2.1469
20 L C 0.0000
21 S C -0.4792
22 C C 0.0000
23 A C -0.1981
24 A C 0.0000
25 S C -1.1182
26 G C -1.3905
27 F C -1.2869
28 N C -1.9800
29 I C 0.0000
30 K C -2.3224
31 D C -2.7757
32 T C 0.0000
33 Y C -0.2194
34 I C 0.0000
35 H C 0.0000
36 W C 0.0000
37 V C 0.0000
38 R C 0.0000
39 Q C -0.7814
40 A C -1.1653
41 P C -0.9545
42 G C -1.4494
43 K C -2.3756
44 G C -1.6572
45 L C 0.0000
46 E C -1.1093
47 W C 0.0000
48 V C 0.0000
49 A C 0.0000
50 R C -0.5790
51 I C 0.0000
52 Y C -0.3120
53 P C -0.8717
54 T C -1.0496
55 N C -0.8453
56 G C -0.3420
57 Y C 0.4963
58 T C -0.4570
59 R C -1.9549
60 Y C -1.7920
61 A C 0.0000
62 D C -2.8078
63 S C -1.7034
64 V C 0.0000
65 K C -2.6430
66 G C -1.6308
67 R C -1.4086
68 F C 0.0000
69 T C -1.0490
70 I C 0.0000
71 S C -0.1225
72 A C -0.6761
73 D C -1.2599
74 T C -1.3800
75 S C -1.4475
76 K C -2.1670
77 N C -1.6584
78 T C 0.0000
79 A C 0.0000
80 Y C -0.5317
81 L C 0.0000
82 Q C -1.2471
83 M C 0.0000
84 N C -1.5051
85 S C -1.2983
86 L C 0.0000
87 R C -2.2827
88 A C -1.7020
89 E C -2.2192
90 D C 0.0000
91 T C -0.7123
92 A C 0.0000
93 V C 0.1969
94 Y C 0.0000
95 Y C 0.0000
96 C C 0.0000
97 S C 0.0000
98 R C -0.3618
99 W C -0.0211
100 G C -0.2596
101 G C -1.3825
102 D C -2.0298
103 G C -0.7353
104 F C 0.3518
105 Y C 1.2945
106 A C 0.0000
107 M C 0.0000
108 D C 0.0023
109 Y C -0.1506
110 W C 0.0000
111 G C 0.0000
112 Q C -1.4517
113 G C -0.6721
114 T C -0.1075
115 L C 0.1687
116 V C 0.0000
117 T C 0.0000
118 V C 0.0000
119 S C -1.0127
120 S C -0.7461
121 A C -0.5015
122 S C -0.6233
123 T C -0.7626
124 K C -1.2250
125 G C -1.3475
126 P C 0.0000
127 S C -0.3726
128 V C 0.0000
129 F C 0.0000
130 P C -1.2817
131 L C 0.0000
132 A C -1.3088
133 P C 0.0000
134 S C -1.0174
135 S C -0.6530
136 K C -1.1871
137 S C 0.0000
138 T C -0.7321
139 S C -0.7203
140 G C -0.7961
141 G C -0.8640
142 T C -0.6018
143 A C 0.0000
144 A C 0.0000
145 L C 0.0000
146 G C 0.0000
147 C C 0.0000
148 L C 0.0000
149 V C 0.0000
150 K C 0.0000
151 D C -0.3631
152 Y C 0.0000
153 F C 0.0000
154 P C 0.0000
155 E C -0.4834
156 P C -0.7180
157 V C -0.6659
158 T C -0.5580
159 V C -0.2795
160 S C -0.3292
161 W C 0.0000
162 N C -0.7107
163 S C -0.6062
164 G C -0.4790
165 A C -0.2162
166 L C 0.0332
167 T C -0.1486
168 S C -0.1540
169 G C -0.1690
170 V C 0.1962
171 H C -0.3105
172 T C 0.0061
173 F C 0.0000
174 P C -0.3139
175 A C 0.2363
176 V C 0.5476
177 L C 1.1925
178 Q C 0.3146
179 S C -0.0464
180 S C -0.1871
181 G C 0.0559
182 L C 0.1415
183 Y C 0.4594
184 S C 0.0000
185 L C 0.0000
186 S C 0.0000
187 S C 0.0000
188 V C 0.0000
189 V C 0.0000
190 T C -0.1197
191 V C 0.0000
192 P C -0.6053
193 S C -0.5751
194 S C -0.5791
195 S C -0.5602
196 L C -0.7789
197 G C -0.9521
198 T C -0.6650
199 Q C -1.1134
200 T C -1.0856
201 Y C 0.0000
202 I C -1.2102
203 C C 0.0000
204 N C -1.3357
205 V C 0.0000
206 N C -1.8034
207 H C 0.0000
208 K C -2.7319
209 P C -1.6093
210 S C -1.8220
211 N C -2.5768
212 T C -2.0399
213 K C -2.5594
214 V C -1.3975
215 D C -2.1225
216 K C -1.9958
217 K C -2.4584
218 V C 0.0000
219 E C -2.8915
220 P C -1.8921
221 K C -2.5030
222 S C -1.8117
223 C C -1.4556
224 D C -2.6743
225 K C -2.7797
226 T C -1.7803
227 H C -1.7589
228 T C -1.0409
229 C C -0.7505
230 P C -0.5437
231 P C -0.2257
232 C C -0.0519
233 P C -0.5391
234 A C -0.2971
235 P C -0.1027
236 E C -0.7860
237 L C 1.4069
238 L C 1.4702
239 G C 0.2189
240 G C -0.2333
241 P C 0.0000
242 S C 0.0843
243 V C 0.0000
244 F C 1.2156
245 L C 0.9730
246 F C 1.1683
247 P C -0.1395
248 P C 0.0000
249 K C -2.3028
250 P C -1.4200
251 K C -1.3737
252 D C -1.5046
253 T C 0.0000
254 L C 0.0000
255 M C 0.0962
256 I C 1.1450
257 S C -0.1469
258 R C -1.6717
259 T C -0.9797
260 P C 0.0000
261 E C -1.2977
262 V C 0.0000
263 T C 0.1972
264 C C 0.0000
265 V C 0.0000
266 V C 0.0000
267 V C 0.0000
268 D C -1.4014
269 V C 0.0000
270 S C -2.0698
271 H C -2.5893
272 E C -2.9638
273 D C -2.5769
274 P C -2.6914
275 E C -3.0754
276 V C -2.0171
277 K C -2.2448
278 F C -1.3471
279 N C -1.1234
280 W C 0.0000
281 Y C -0.5836
282 V C -0.8512
283 D C -2.0767
284 G C -0.8531
285 V C 0.6319
286 E C -0.5864
287 V C -0.5507
288 H C -1.8683
289 N C -2.1685
290 A C -1.8876
291 K C -2.3607
292 T C -1.7744
293 K C -2.0525
294 P C -2.2127
295 R C -3.3621
296 E C -3.6536
297 E C -3.3587
298 Q C -1.5945
299 Y C 0.2692
300 N C -0.5116
301 S C -0.9539
302 T C -1.8790
303 Y C 0.0000
304 R C -2.6491
305 V C 0.0000
306 V C -0.9378
307 S C 0.0000
308 V C 0.0000
309 L C 0.0000
310 T C -0.7393
311 V C 0.0000
312 L C 0.5274
313 H C -0.2951
314 Q C -1.1445
315 D C -1.4959
316 W C 0.0000
317 L C -1.0407
318 N C -2.0990
319 G C -2.0944
320 K C -2.2695
321 E C -2.3354
322 Y C 0.0000
323 K C -1.5483
324 C C 0.0000
325 K C -1.4235
326 V C 0.0000
327 S C -1.4356
328 N C 0.0000
329 K C -2.5513
330 A C -1.4542
331 L C -0.4502
332 P C -0.4786
333 A C -0.4056
334 P C -0.8961
335 I C -0.4760
336 E C -1.6627
337 K C -0.9902
338 T C -0.9907
339 I C -0.2602
340 S C -1.2401
341 K C -1.3299
342 A C -1.1789
343 K C -2.3272
344 G C -1.9533
345 Q C -2.1045
346 P C -1.7076
347 R C -1.9546
348 E C -2.5835
349 P C 0.0000
350 Q C -1.2745
351 V C 0.0000
352 Y C 0.0000
353 T C -0.7417
354 L C 0.0000
355 P C -0.3380
356 P C 0.0000
357 S C 0.0000
358 R C -2.7026
359 E C -2.8719
360 E C 0.0000
361 M C -1.9750
362 T C -1.6919
363 K C -2.2273
364 N C -2.4782
365 Q C -2.1931
366 V C 0.0000
367 S C 0.0000
368 L C 0.0000
369 T C 0.0000
370 C C 0.0000
371 L C 0.0000
372 V C 0.0000
373 K C -0.4407
374 G C -0.9220
375 F C 0.0000
376 Y C -0.9727
377 P C 0.0000
378 S C -0.1458
379 D C -1.0885
380 I C -0.5890
381 A C -0.6079
382 V C 0.0000
383 E C -1.2067
384 W C 0.0000
385 E C -1.7138
386 S C 0.0000
387 N C -1.7983
388 G C -1.7155
389 Q C -2.2885
390 P C -1.9276
391 E C -1.8010
392 N C -1.9697
393 N C -1.2227
394 Y C -0.8671
395 K C -0.6741
396 T C -0.3951
397 T C 0.0000
398 P C -0.0400
399 P C 0.2268
400 V C 0.6567
401 L C 1.0578
402 D C -0.3656
403 S C -1.0752
404 D C -1.8655
405 G C -0.8462
406 S C 0.0000
407 F C 0.2939
408 F C 0.0000
409 L C 0.0000
410 Y C 0.0000
411 S C 0.0000
412 K C 0.0000
413 L C 0.0000
414 T C -0.8005
415 V C 0.0000
416 D C -2.4717
417 K C -2.6577
418 S C -2.2816
419 R C -2.0347
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421 Q C -2.4811
422 Q C -2.1674
423 G C -1.2402
424 N C -0.9144
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426 F C 0.0000
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428 C C 0.0000
429 S C 0.0000
430 V C 0.0000
431 M C 0.0000
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433 E C -1.1127
434 A C -1.5304
435 L C 0.0000
436 H C -1.8453
437 N C -1.5183
438 H C -1.0315
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440 T C 0.0000
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442 K C -0.9292
443 S C -0.3226
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445 S C -0.0815
446 L C -0.4251
447 S C -0.7557
448 P C -1.1224
449 G C -1.4397
450 K C -2.0291
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2 V D -1.1941
3 Q D -0.9781
4 L D 0.0000
5 V D 0.4873
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7 S D -0.5348
8 G D -0.9390
9 G D -0.5516
10 G D -0.5114
11 L D -0.1216
12 V D 0.0000
13 Q D -1.6634
14 P D -1.7569
15 G D -1.4670
16 G D -1.1503
17 S D -1.3348
18 L D -1.2179
19 R D -2.1449
20 L D 0.0000
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22 C D 0.0000
23 A D -0.1934
24 A D 0.0000
25 S D -1.0952
26 G D -1.3618
27 F D -1.2538
28 N D -1.9180
29 I D 0.0000
30 K D -2.4175
31 D D -2.7943
32 T D 0.0000
33 Y D -0.1607
34 I D 0.0000
35 H D 0.0000
36 W D 0.0000
37 V D 0.0000
38 R D 0.0000
39 Q D -0.8233
40 A D -1.1914
41 P D -0.9663
42 G D -1.4526
43 K D -2.3834
44 G D -1.6695
45 L D 0.0000
46 E D -1.1568
47 W D 0.0000
48 V D 0.0000
49 A D 0.0000
50 R D -0.6583
51 I D 0.0000
52 Y D -0.3706
53 P D -0.9373
54 T D -1.1611
55 N D -1.0334
56 G D -0.4130
57 Y D 0.4347
58 T D -0.5032
59 R D -1.9955
60 Y D -1.8294
61 A D -2.0107
62 D D -2.6752
63 S D -1.7510
64 V D 0.0000
65 K D -2.7808
66 G D -1.6963
67 R D -1.4459
68 F D 0.0000
69 T D -1.0765
70 I D 0.0000
71 S D -0.1333
72 A D -0.6740
73 D D -1.1916
74 T D -1.3783
75 S D -1.4400
76 K D -2.1450
77 N D -1.6488
78 T D 0.0000
79 A D 0.0000
80 Y D -0.5217
81 L D 0.0000
82 Q D -1.2445
83 M D 0.0000
84 N D -1.4945
85 S D -1.2912
86 L D 0.0000
87 R D -2.2817
88 A D -1.7027
89 E D -2.2204
90 D D 0.0000
91 T D -0.7233
92 A D 0.0000
93 V D 0.1578
94 Y D 0.0000
95 Y D 0.0000
96 C D 0.0000
97 S D 0.0000
98 R D -0.3756
99 W D 0.0000
100 G D -0.2221
101 G D -1.3728
102 D D -2.0276
103 G D -0.7226
104 F D 0.3704
105 Y D 1.3077
106 A D 0.0000
107 M D 0.0000
108 D D 0.0272
109 Y D -0.1117
110 W D 0.0000
111 G D 0.0000
112 Q D -1.4320
113 G D -0.6692
114 T D -0.1110
115 L D 0.1634
116 V D 0.0000
117 T D 0.0000
118 V D 0.0000
119 S D -0.9817
120 S D -0.7436
121 A D -0.4715
122 S D -0.5925
123 T D -0.7313
124 K D -1.1865
125 G D -1.2992
126 P D 0.0000
127 S D -0.3588
128 V D 0.0000
129 F D 0.0000
130 P D -1.1961
131 L D 0.0000
132 A D -1.2767
133 P D 0.0000
134 S D -1.0516
135 S D -0.6995
136 K D -1.2809
137 S D 0.0000
138 T D -0.7661
139 S D -0.7424
140 G D -0.7999
141 G D -0.8671
142 T D -0.6048
143 A D 0.0000
144 A D 0.0000
145 L D 0.0000
146 G D 0.0000
147 C D 0.0000
148 L D 0.0000
149 V D 0.0000
150 K D 0.0000
151 D D -0.3484
152 Y D 0.0000
153 F D 0.0000
154 P D 0.0000
155 E D -0.4176
156 P D -0.6615
157 V D -0.6183
158 T D -0.5262
159 V D -0.1315
160 S D -0.3400
161 W D 0.0000
162 N D -0.6596
163 S D -0.6175
164 G D -0.4781
165 A D -0.2192
166 L D 0.0452
167 T D -0.1487
168 S D -0.1516
169 G D -0.1645
170 V D 0.1972
171 H D -0.3259
172 T D -0.0039
173 F D 0.0000
174 P D -0.3490
175 A D 0.2387
176 V D 0.5433
177 L D 1.1902
178 Q D 0.3107
179 S D -0.0494
180 S D -0.1885
181 G D 0.0569
182 L D 0.1571
183 Y D 0.4791
184 S D 0.0000
185 L D 0.0000
186 S D 0.0000
187 S D 0.0000
188 V D 0.0000
189 V D 0.0000
190 T D -0.1193
191 V D 0.0000
192 P D -0.6082
193 S D -0.5777
194 S D -0.5802
195 S D -0.5605
196 L D -0.7811
197 G D -0.9545
198 T D -0.6652
199 Q D -1.1008
200 T D -0.9972
201 Y D 0.0000
202 I D -1.0132
203 C D 0.0000
204 N D -1.3332
205 V D 0.0000
206 N D -1.8240
207 H D 0.0000
208 K D -2.7239
209 P D -1.5848
210 S D -1.8170
211 N D -2.5794
212 T D -2.0291
213 K D -2.6035
214 V D -1.4083
215 D D -2.1827
216 K D -1.8567
217 K D -2.1459
218 V D 0.0000
219 E D -2.8156
220 P D -1.8129
221 K D -2.4711
222 S D -1.5852
223 C D -1.1798
224 D D -2.6324
225 K D -2.7872
226 T D -1.7930
227 H D -1.9026
228 T D -1.3039
229 C D -0.7821
230 P D -0.5279
231 P D -0.2206
232 C D -0.0714
233 P D -0.5505
234 A D -0.3108
235 P D -0.1019
236 E D -0.7719
237 L D 1.4112
238 L D 1.4523
239 G D 0.2115
240 G D -0.2419
241 P D 0.0000
242 S D 0.0896
243 V D 0.0000
244 F D 1.0477
245 L D 0.8009
246 F D 1.0536
247 P D -0.1848
248 P D 0.0000
249 K D -2.2640
250 P D -1.4337
251 K D -1.2881
252 D D 0.0000
253 T D 0.0000
254 L D 0.0000
255 M D 0.2567
256 I D 1.2590
257 S D 0.0193
258 R D -1.3297
259 T D -0.8142
260 P D 0.0000
261 E D -1.2938
262 V D 0.0000
263 T D 0.1450
264 C D 0.0000
265 V D 0.0000
266 V D 0.0000
267 V D 0.0000
268 D D -1.4130
269 V D 0.0000
270 S D -2.0574
271 H D -2.5872
272 E D -2.9632
273 D D -2.5723
274 P D -2.7121
275 E D -3.1050
276 V D -2.0361
277 K D -2.2384
278 F D -1.3880
279 N D -1.1562
280 W D 0.0000
281 Y D -0.5427
282 V D -0.8569
283 D D -2.0519
284 G D -0.8156
285 V D 0.7063
286 E D -0.4427
287 V D -0.4378
288 H D -1.8395
289 N D -2.1539
290 A D -1.8942
291 K D -2.3647
292 T D -1.8238
293 K D -2.1369
294 P D -2.3550
295 R D -3.6353
296 E D -3.8053
297 E D -3.4408
298 Q D -1.6459
299 Y D 0.2110
300 N D -0.6391
301 S D -1.0034
302 T D -1.9363
303 Y D 0.0000
304 R D -2.6379
305 V D 0.0000
306 V D -0.9982
307 S D 0.0000
308 V D 0.0000
309 L D 0.0000
310 T D -0.7772
311 V D 0.0000
312 L D 0.3983
313 H D -0.2945
314 Q D -1.2054
315 D D -1.5958
316 W D 0.0000
317 L D -1.0676
318 N D -2.1602
319 G D -2.1739
320 K D -2.4231
321 E D -2.5397
322 Y D 0.0000
323 K D -1.7979
324 C D 0.0000
325 K D -1.6048
326 V D 0.0000
327 S D -1.4898
328 N D 0.0000
329 K D -2.5509
330 A D -1.4564
331 L D -0.4445
332 P D -0.4843
333 A D -0.4730
334 P D -1.0341
335 I D -0.7209
336 E D -2.1568
337 K D -1.3388
338 T D -1.1710
339 I D -0.3856
340 S D -1.3483
341 K D -1.4088
342 A D -1.2025
343 K D -2.3307
344 G D -1.9605
345 Q D -2.1154
346 P D -1.7043
347 R D -1.9672
348 E D -2.5342
349 P D 0.0000
350 Q D -1.1778
351 V D 0.0000
352 Y D 0.0000
353 T D -0.7598
354 L D 0.0000
355 P D -0.3191
356 P D 0.0000
357 S D 0.0000
358 R D -2.7035
359 E D -2.8778
360 E D 0.0000
361 M D -1.9343
362 T D -1.6730
363 K D -2.1988
364 N D -2.4605
365 Q D -2.1883
366 V D 0.0000
367 S D 0.0000
368 L D 0.0000
369 T D 0.0000
370 C D 0.0000
371 L D 0.0000
372 V D 0.0000
373 K D -0.4092
374 G D -0.9151
375 F D 0.0000
376 Y D -0.9933
377 P D 0.0000
378 S D -0.2159
379 D D -1.2422
380 I D -0.6667
381 A D 0.0000
382 V D 0.0000
383 E D -1.4705
384 W D 0.0000
385 E D -1.6985
386 S D 0.0000
387 N D -1.7828
388 G D -1.7056
389 Q D -2.2629
390 P D -1.9504
391 E D -1.8351
392 N D -2.0502
393 N D -1.3304
394 Y D -1.0325
395 K D -0.8770
396 T D -0.5106
397 T D 0.0000
398 P D -0.0519
399 P D 0.2279
400 V D 0.7414
401 L D 1.1483
402 D D -0.2415
403 S D -0.9845
404 D D -1.7918
405 G D -0.6982
406 S D 0.0000
407 F D 0.3264
408 F D 0.0000
409 L D 0.0000
410 Y D 0.0000
411 S D 0.0000
412 K D 0.0000
413 L D 0.0000
414 T D -0.8439
415 V D 0.0000
416 D D -2.4505
417 K D -2.5725
418 S D -2.1962
419 R D -1.9672
420 W D 0.0000
421 Q D -2.2220
422 Q D -2.0297
423 G D -1.1109
424 N D -0.7886
425 V D 0.5085
426 F D 0.0000
427 S D -0.8996
428 C D 0.0000
429 S D 0.0000
430 V D 0.0000
431 M D 0.0000
432 H D 0.0000
433 E D -1.0601
434 A D -1.4387
435 L D -1.3634
436 H D -1.7326
437 N D -1.4257
438 H D -0.8963
439 Y D -0.3231
440 T D -0.6129
441 Q D -0.9960
442 K D -0.9894
443 S D -0.3686
444 L D 0.0000
445 S D -0.0070
446 L D -0.2599
447 S D -0.6825
448 P D -1.0743
449 G D -1.4265
450 K D -2.0309
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Laboratory of Theory of Biopolymers 2018