Project name: 59e810e2ddcc98f [mutate: VR219A, IR231A, VR141A, IA140A, KA146A, GR145A, LA221A, YR258A, LA135B]

Status: done

Started: 2025-02-14 07:56:45
Settings
Chain sequence(s) A: ICASVLQHAYCGSRKKTIEHTANLLEQALKKHPKTNLVVLQELNPYSYFCQSENPKFFDLGEYFEEDKAFFSALAQKFQVVLVASLFEKRAKGLYHNSAVVFEKDGSIAGVYRKMHIPDDPGFYEKFYFTPGDLGFEPIVTSVGKLGLMVCWDQWYPEAARIMALKGAEILIYPSAIGFLEEDSNEEKKRQQNAWETIQRGHAIANGLPLIATNRVGVELDPSGAIKGGITFFGSSFVVGALGEFLAKASDKEEILYAEIDLERTEEVRRMWPFLRDRRIDFYNDLLKR
C: ICASVLQHAYCGSRKKTIEHTANLLEQALKKHPKTNLVVLQELNPYSYFCQSENPKFFDLGEYFEEDKAFFSALAQKFQVVLVASLFEKRAKGLYHNSAVVFEKDGSIAGVYRKMHIPDDPGFYEKFYFTPGDLGFEPIVTSVGKLGLMVCWDQWYPEAARIMALKGAEILIYPSAIGFLEEDSNEEKKRQQNAWETIQRGHAIANGLPLIATNRVGVELDPSGAIKGGITFFGSSFVVGALGEFLAKASDKEEILYAEIDLERTEEVRRMWPFLRDRRIDFYNDLLKR
B: ICASVLQHAYCGSRKKTIEHTANLLEQALKKHPKTNLVVLQELNPYSYFCQSENPKFFDLGEYFEEDKAFFSALAQKFQVVLVASLFEKRAKGLYHNSAVVFEKDGSIAGVYRKMHIPDDPGFYEKFYFTPGDLGFEPIVTSVGKLGLMVCWDQWYPEAARIMALKGAEILIYPSAIGFLEEDSNEEKKRQQNAWETIQRGHAIANGLPLIATNRVGVELDPSGAIKGGITFFGSSFVVGALGEFLAKASDKEEILYAEIDLERTEEVRRMWPFLRDRRIDFYNDLLKR
E: ICASVLQHAYCGSRKKTIEHTANLLEQALKKHPKTNLVVLQELNPYSYFCQSENPKFFDLGEYFEEDKAFFSALAQKFQVVLVASLFEKRAKGLYHNSAVVFEKDGSIAGVYRKMHIPDDPGFYEKFYFTPGDLGFEPIVTSVGKLGLMVCWDQWYPEAARIMALKGAEILIYPSAIGFLEEDSNEEKKRQQNAWETIQRGHAIANGLPLIATNRVGVELDPSGAIKGGITFFGSSFVVGALGEFLAKASDKEEILYAEIDLERTEEVRRMWPFLRDRRIDFYNDLLKR
D: ICASVLQHAYCGSRKKTIEHTANLLEQALKKHPKTNLVVLQELNPYSYFCQSENPKFFDLGEYFEEDKAFFSALAQKFQVVLVASLFEKRAKGLYHNSAVVFEKDGSIAGVYRKMHIPDDPGFYEKFYFTPGDLGFEPIVTSVGKLGLMVCWDQWYPEAARIMALKGAEILIYPSAIGFLEEDSNEEKKRQQNAWETIQRGHAIANGLPLIATNRVGVELDPSGAIKGGITFFGSSFVVGALGEFLAKASDKEEILYAEIDLERTEEVRRMWPFLRDRRIDFYNDLLKR
G: ICASVLQHAYCGSRKKTIEHTANLLEQALKKHPKTNLVVLQELNPYSYFCQSENPKFFDLGEYFEEDKAFFSALAQKFQVVLVASLFEKRAKGLYHNSAVVFEKDGSIAGVYRKMHIPDDPGFYEKFYFTPGDLGFEPIVTSVGKLGLMVCWDQWYPEAARIMALKGAEILIYPSAIGFLEEDSNEEKKRQQNAWETIQRGHAIANGLPLIATNRVGVELDPSGAIKGGITFFGSSFVVGALGEFLAKASDKEEILYAEIDLERTEEVRRMWPFLRDRRIDFYNDLLKR
F: ICASVLQHAYCGSRKKTIEHTANLLEQALKKHPKTNLVVLQELNPYSYFCQSENPKFFDLGEYFEEDKAFFSALAQKFQVVLVASLFEKRAKGLYHNSAVVFEKDGSIAGVYRKMHIPDDPGFYEKFYFTPGDLGFEPIVTSVGKLGLMVCWDQWYPEAARIMALKGAEILIYPSAIGFLEEDSNEEKKRQQNAWETIQRGHAIANGLPLIATNRVGVELDPSGAIKGGITFFGSSFVVGALGEFLAKASDKEEILYAEIDLERTEEVRRMWPFLRDRRIDFYNDLLKR
H: ICASVLQHAYCGSRKKTIEHTANLLEQALKKHPKTNLVVLQELNPYSYFCQSENPKFFDLGEYFEEDKAFFSALAQKFQVVLVASLFEKRAKGLYHNSAVVFEKDGSIAGVYRKMHIPDDPGFYEKFYFTPGDLGFEPIVTSVGKLGLMVCWDQWYPEAARIMALKGAEILIYPSAIGFLEEDSNEEKKRQQNAWETIQRGHAIANGLPLIATNRVGVELDPSGAIKGGITFFGSSFVVGALGEFLAKASDKEEILYAEIDLERTEEVRRMWPFLRDRRIDFYNDLLKR
input PDB
Selected Chain(s) A,B,C,D,E,F,G,H
Distance of aggregation 10 Å
FoldX usage Yes
Dynamic mode No
Automated mutations No
Mutated residues YR258A,LA135B,IA140A,VR141A,KA146A,IR231A,LA221A,GR145A,VR219A
Energy difference between WT (input) and mutated protein (by FoldX) 9.55464 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]                                                (00:00:01)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:01)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with all chain(s) selected           (00:00:01)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:01)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:04)
[INFO]       FoldX:    Building mutant model                                                       (00:16:37)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:18:40)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:32:11)
[INFO]       Main:     Simulation completed successfully.                                          (00:32:57)
Show buried residues

Minimal score value
-4.9987
Maximal score value
2.2621
Average score
-0.507
Total score value
-1172.0952

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 I A -1.0166
3 C A 0.0000
4 A A 0.0000
5 S A 0.0000
6 V A 0.0000
7 L A 0.0000
8 Q A 0.0000
9 H A 0.0000
10 A A -1.0880
11 Y A -0.3879
12 C A -0.5088
13 G A -0.8426
14 S A -1.3365
15 R A -1.9512
16 K A -3.1311
17 K A -2.9844
18 T A 0.0000
19 I A 0.0000
20 E A -3.1797
21 H A -2.1811
22 T A 0.0000
23 A A -1.5999
24 N A -2.2361
25 L A -1.6594
26 L A 0.0000
27 E A -2.1412
28 Q A -2.0691
29 A A 0.0000
30 L A -2.0583
31 K A -2.8410
32 K A -2.6316
33 H A -2.1913
34 P A -2.1557
35 K A -2.2435
36 T A -1.2243
37 N A 0.0000
38 L A 0.0000
39 V A 0.0000
40 V A 0.0000
41 L A 0.0000
42 Q A 0.0000
43 E A 0.0000
44 L A 0.0000
45 N A 0.0000
46 P A 0.0000
47 Y A -0.4068
48 S A -0.3439
49 Y A 0.0000
50 F A 0.0000
51 C A 0.0000
52 Q A -0.6804
53 S A 0.0000
54 E A -1.5401
55 N A -1.2884
56 P A -1.1239
57 K A -1.9103
58 F A -0.7397
59 F A -0.3484
60 D A -1.2930
61 L A -0.3092
62 G A 0.0000
63 E A -1.5522
64 Y A -0.5131
65 F A -0.9781
66 E A -2.4552
67 E A -2.2202
68 D A 0.0000
69 K A -0.7145
70 A A -0.3656
71 F A 0.2142
72 F A 0.0000
73 S A -0.3288
74 A A -0.9204
75 L A 0.0000
76 A A 0.0000
77 Q A -3.1670
78 K A -2.8054
79 F A -2.3444
80 Q A -2.8884
81 V A 0.0000
82 V A 0.0000
83 L A 0.0000
84 V A 0.0000
85 A A 0.0000
86 S A 0.0000
87 L A 0.0000
88 F A 0.0000
89 E A -0.6827
90 K A -1.3671
91 R A -1.3753
92 A A -1.1192
93 K A -1.9245
94 G A -1.1662
95 L A -0.5631
96 Y A -0.3028
97 H A 0.0000
98 N A 0.0000
99 S A 0.0000
100 A A 0.0000
101 V A 0.0000
102 V A 0.0000
103 F A 0.0000
104 E A -1.0946
105 K A 0.0000
106 D A -2.7710
107 G A 0.0000
108 S A -0.0101
109 I A 1.6497
110 A A 0.5977
111 G A 0.4496
112 V A 0.6096
113 Y A 0.0000
114 R A -0.2653
115 K A 0.0000
116 M A 0.0000
117 H A 0.0000
118 I A 0.0000
119 P A 0.0000
120 D A -1.2049
121 D A -1.3943
122 P A -0.5494
123 G A -0.4751
124 F A -0.1667
125 Y A -0.0445
126 E A 0.0000
127 K A -0.9240
128 F A 0.4467
129 Y A 0.0000
130 F A 0.0000
131 T A -0.2423
132 P A -0.4621
133 G A 0.0000
134 D A -0.7172
135 L A -0.0041
136 G A -0.6714
137 F A 0.0000
138 E A -1.3513
139 P A -1.1924
140 A A -1.3636 mutated: IA140A
141 R A -2.1856 mutated: VR141A
142 T A 0.0000
143 S A -1.1316
144 V A -0.6370
145 R A -1.0027 mutated: GR145A
146 A A -1.1776 mutated: KA146A
147 L A 0.0000
148 G A 0.0000
149 L A 0.0000
150 M A 0.0000
151 V A 0.0000
152 C A 0.0000
153 W A 0.0000
154 D A 0.0000
155 Q A 0.0000
156 W A 0.0000
157 Y A 0.0000
158 P A 0.0000
159 E A 0.0000
160 A A 0.0000
161 A A 0.0000
162 R A 0.0000
163 I A 0.0000
164 M A 0.0000
165 A A 0.0000
166 L A 0.0000
167 K A -1.0530
168 G A -0.8253
169 A A 0.0000
170 E A 0.0000
171 I A 0.0000
172 L A 0.0000
173 I A 0.0000
174 Y A 0.0000
175 P A 0.0000
176 S A 0.0000
177 A A 0.0000
178 I A 0.1756
179 G A -0.5860
180 F A -1.1331
181 L A -1.1608
182 E A -2.0033
183 E A -3.2739
184 D A -3.8905
185 S A -3.7147
186 N A -3.7631
187 E A -4.6357
188 E A -4.9987
189 K A -4.7049
190 K A -4.0241
191 R A -3.4864
192 Q A -1.8643
193 Q A -1.5340
194 N A -1.6813
195 A A 0.0000
196 W A 0.0000
197 E A 0.0000
198 T A 0.0000
199 I A 0.0000
200 Q A 0.0000
201 R A -0.3326
202 G A 0.0000
203 H A 0.0000
204 A A 0.0000
205 I A 0.0000
206 A A 0.0000
207 N A 0.0000
208 G A 0.1223
209 L A 0.0000
210 P A 0.0000
211 L A 0.0000
212 I A 0.0000
213 A A 0.0000
214 T A 0.0000
215 N A 0.0000
216 R A 0.0000
217 V A 0.0000
218 G A -1.7483
219 R A -1.9426 mutated: VR219A
220 E A 0.0000
221 A A -1.1942 mutated: LA221A
222 D A -0.8086
223 P A -0.8589
224 S A -0.7021
225 G A -0.5054
226 A A 0.1608
227 I A 0.9028
228 K A -1.1417
229 G A -0.8706
230 G A -1.4141
231 R A -0.9375 mutated: IR231A
232 T A 0.0000
233 F A 0.0000
234 F A -1.0600
235 G A 0.0000
236 S A 0.0000
237 S A 0.0000
238 F A 0.0000
239 V A 0.0000
240 V A 0.0000
241 G A 0.0000
242 A A 0.1418
243 L A 0.0532
244 G A 0.0000
245 E A -0.5710
246 F A 0.2012
247 L A 0.3023
248 A A -0.2938
249 K A -0.9064
250 A A 0.0000
251 S A -2.0972
252 D A -3.1274
253 K A -3.5805
254 E A -3.1486
255 E A -2.1411
256 I A -0.9732
257 L A -0.9730
258 R A -2.0856 mutated: YR258A
259 A A -1.2573
260 E A -2.2036
261 I A -1.7279
262 D A -2.7926
263 L A 0.0000
264 E A -2.7830
265 R A -2.3836
266 T A -1.5418
267 E A -1.4212
268 E A -1.4061
269 V A -0.6117
270 R A 0.0000
271 R A 0.0000
272 M A 0.0000
273 W A 0.0375
274 P A 0.0000
275 F A 0.0000
276 L A 0.0000
277 R A 0.0000
278 D A 0.0000
279 R A 0.0000
280 R A 0.0000
281 I A -0.6635
282 D A -1.3327
283 F A -0.5029
284 Y A 0.0000
285 N A -2.0087
286 D A -2.1278
287 L A 0.0000
288 L A -1.9831
289 K A -3.0796
290 R A -3.0608
2 I B -0.6586
3 C B 0.0000
4 A B 0.0000
5 S B 0.0000
6 V B 0.0000
7 L B 0.0000
8 Q B 0.0000
9 H B 0.0000
10 A B -0.3980
11 Y B 0.2012
12 C B -0.2591
13 G B -0.7094
14 S B -1.2438
15 R B -2.0539
16 K B -3.1315
17 K B -2.7446
18 T B 0.0000
19 I B 0.0000
20 E B -2.8210
21 H B -2.0863
22 T B 0.0000
23 A B -1.5386
24 N B -2.0761
25 L B -1.6368
26 L B 0.0000
27 E B -2.2841
28 Q B -2.3080
29 A B 0.0000
30 L B -2.0740
31 K B -3.1398
32 K B -2.6784
33 H B -2.1128
34 P B -1.8648
35 K B -2.2471
36 T B -1.3175
37 N B 0.0000
38 L B 0.0000
39 V B 0.0000
40 V B 0.0000
41 L B 0.0000
42 Q B 0.0000
43 E B 0.0000
44 L B 0.0000
45 N B 0.0000
46 P B 0.0000
47 Y B -0.1349
48 S B 0.5001
49 Y B 0.0000
50 F B 0.0000
51 C B 0.0000
52 Q B 0.0000
53 S B 0.0000
54 E B -0.6160
55 N B -1.0061
56 P B -1.1876
57 K B -1.9135
58 F B -0.7730
59 F B 0.0000
60 D B -1.2215
61 L B -0.0880
62 G B 0.0000
63 E B -0.2995
64 Y B 0.9362
65 F B 1.4686
66 E B -0.2718
67 E B -1.4558
68 D B 0.0000
69 K B 0.0000
70 A B 0.1971
71 F B -0.0053
72 F B 0.0000
73 S B -0.4630
74 A B -0.9665
75 L B 0.0000
76 A B 0.0000
77 Q B -3.0280
78 K B -2.6810
79 F B -1.8996
80 Q B -2.3191
81 V B 0.0000
82 V B 0.0000
83 L B 0.0000
84 V B 0.0000
85 A B 0.0000
86 S B 0.0000
87 L B 0.0000
88 F B 0.0000
89 E B 0.0000
90 K B -0.1344
91 R B -0.2468
92 A B -0.2582
93 K B 0.0000
94 G B 0.0000
95 L B 0.0000
96 Y B 0.0000
97 H B 0.0000
98 N B 0.0000
99 S B 0.0000
100 A B 0.0000
101 V B 0.0000
102 V B 0.0000
103 F B 0.0000
104 E B -0.6186
105 K B 0.0000
106 D B -2.7253
107 G B -1.5331
108 S B -0.2486
109 I B 1.2865
110 A B 1.0135
111 G B 0.4495
112 V B 0.4560
113 Y B 0.0000
114 R B -0.2753
115 K B 0.0000
116 M B 0.0000
117 H B 0.0000
118 I B 0.0000
119 P B 0.0000
120 D B 0.0000
121 D B 0.0000
122 P B 0.0000
123 G B 0.0000
124 F B 0.0000
125 Y B 0.1194
126 E B 0.0000
127 K B 0.0000
128 F B 0.0000
129 Y B 0.0000
130 F B 0.0000
131 T B 0.0000
132 P B -0.1608
133 G B 0.0000
134 D B -0.6471
135 A B -0.2474 mutated: LA135B
136 G B -0.6679
137 F B 0.0000
138 E B -1.1002
139 P B -0.4907
140 I B 0.0000
141 V B 1.3617
142 T B 0.0000
143 S B -0.1060
144 V B 0.6138
145 G B 0.3647
146 K B -0.0315
147 L B 0.0000
148 G B 0.0000
149 L B 0.0000
150 M B 0.0000
151 V B 0.0000
152 C B 0.0000
153 W B 0.0000
154 D B 0.0000
155 Q B 0.0000
156 W B 0.0000
157 Y B 0.0000
158 P B 0.0000
159 E B 0.0000
160 A B 0.0000
161 A B 0.0000
162 R B 0.0000
163 I B 0.0000
164 M B 0.0000
165 A B 0.0000
166 L B -0.9381
167 K B -1.5027
168 G B -0.5457
169 A B 0.0000
170 E B -0.8426
171 I B 0.0000
172 L B 0.0000
173 I B 0.0000
174 Y B 0.0000
175 P B 0.0000
176 S B 0.0000
177 A B 0.0000
178 I B 0.0000
179 G B 0.0000
180 F B -0.0847
181 L B 0.0000
182 E B -1.2125
183 E B -1.7334
184 D B -2.0984
185 S B -1.9753
186 N B -2.9407
187 E B -3.3824
188 E B -2.4298
189 K B 0.0000
190 K B -2.4498
191 R B -2.7336
192 Q B 0.0000
193 Q B -1.0560
194 N B -1.6801
195 A B 0.0000
196 W B 0.0000
197 E B -0.6582
198 T B 0.0000
199 I B 0.0000
200 Q B 0.0000
201 R B -0.3338
202 G B 0.0000
203 H B 0.0000
204 A B 0.0000
205 I B 0.0000
206 A B 0.0000
207 N B 0.0000
208 G B 0.0000
209 L B 0.0000
210 P B 0.0000
211 L B 0.0000
212 I B 0.0000
213 A B 0.0000
214 T B 0.0000
215 N B 0.0000
216 R B 0.0000
217 V B 0.0000
218 G B 0.4934
219 V B 2.2621
220 E B 0.0000
221 L B 1.3263
222 D B 0.0000
223 P B -0.1529
224 S B -0.2059
225 G B -0.7736
226 A B 0.2588
227 I B 1.0232
228 K B -0.6317
229 G B -0.3635
230 G B 0.1670
231 I B 0.0000
232 T B 1.2751
233 F B 0.0000
234 F B 0.6631
235 G B 0.0000
236 S B -0.9409
237 S B 0.0000
238 F B 0.0000
239 V B 0.0000
240 V B 0.0000
241 G B 0.0000
242 A B -0.0251
243 L B -0.0246
244 G B 0.0000
245 E B -0.1757
246 F B 0.5312
247 L B 1.2234
248 A B 0.3772
249 K B -1.0604
250 A B 0.0000
251 S B -1.7800
252 D B -2.2789
253 K B -3.1785
254 E B -3.0235
255 E B -1.8696
256 I B -0.4313
257 L B 0.2635
258 Y B 0.5692
259 A B -0.0399
260 E B -1.5697
261 I B -1.8309
262 D B -3.2085
263 L B -2.6514
264 E B -3.7718
265 R B -3.9118
266 T B -2.8129
267 E B -3.5726
268 E B -2.5499
269 V B -1.0883
270 R B -1.5904
271 R B -2.3030
272 M B -0.3811
273 W B -0.4552
274 P B 0.0000
275 F B 0.0000
276 L B -1.1764
277 R B -2.0382
278 D B 0.0000
279 R B 0.0000
280 R B -1.0463
281 I B -1.4707
282 D B -1.9614
283 F B -0.8249
284 Y B 0.0000
285 N B -1.8927
286 D B -1.3454
287 L B 0.0000
288 L B -1.2675
289 K B -1.9823
290 R B -1.1479
2 I C -0.5937
3 C C 0.0000
4 A C 0.0000
5 S C 0.0000
6 V C 0.0000
7 L C 0.0000
8 Q C 0.0000
9 H C 0.0000
10 A C -0.4463
11 Y C 0.1074
12 C C -0.4048
13 G C -0.7600
14 S C -1.2408
15 R C -1.8103
16 K C -3.1087
17 K C -2.9823
18 T C 0.0000
19 I C 0.0000
20 E C -3.2223
21 H C -2.0407
22 T C 0.0000
23 A C -1.5523
24 N C -2.1253
25 L C -1.5554
26 L C 0.0000
27 E C -1.8775
28 Q C -1.8950
29 A C 0.0000
30 L C -1.8255
31 K C -2.5807
32 K C -1.9910
33 H C -1.7738
34 P C -1.5768
35 K C -1.8603
36 T C 0.0000
37 N C -0.7609
38 L C 0.0000
39 V C 0.0000
40 V C 0.0000
41 L C 0.0000
42 Q C 0.0000
43 E C 0.0000
44 L C 0.0000
45 N C 0.0000
46 P C 0.0000
47 Y C -0.3146
48 S C 0.4164
49 Y C 0.0000
50 F C 0.0000
51 C C 0.0000
52 Q C 0.0000
53 S C 0.0000
54 E C -0.5428
55 N C 0.0000
56 P C -0.8465
57 K C -1.6716
58 F C -0.6475
59 F C 0.0000
60 D C -1.0048
61 L C -0.1374
62 G C 0.0000
63 E C -0.7869
64 Y C -0.0159
65 F C 0.0000
66 E C -2.5373
67 E C -2.3572
68 D C 0.0000
69 K C -0.9353
70 A C -0.4299
71 F C 0.2444
72 F C 0.0000
73 S C -0.6069
74 A C -0.9163
75 L C 0.0000
76 A C 0.0000
77 Q C -3.1786
78 K C -2.8366
79 F C -2.1911
80 Q C -2.6906
81 V C 0.0000
82 V C 0.0000
83 L C 0.0000
84 V C 0.0000
85 A C 0.0000
86 S C 0.0000
87 L C -0.1738
88 F C 0.0000
89 E C -0.8127
90 K C -1.2640
91 R C -0.9354
92 A C -0.5133
93 K C -0.8523
94 G C 0.0000
95 L C 0.0000
96 Y C 0.0000
97 H C 0.0000
98 N C 0.0000
99 S C 0.0000
100 A C 0.0000
101 V C 0.0000
102 V C 0.0000
103 F C 0.0000
104 E C -0.7948
105 K C -2.2978
106 D C -2.7022
107 G C 0.0000
108 S C -0.1640
109 I C 1.2776
110 A C 1.0727
111 G C 0.4593
112 V C 0.5057
113 Y C 0.0000
114 R C -0.1346
115 K C 0.0000
116 M C 0.0000
117 H C 0.0000
118 I C 0.0000
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255 E F -1.8094
256 I F -0.4203
257 L F 0.0000
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263 L F -1.9566
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266 T F -1.6528
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272 M F -0.5680
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275 F F 0.0000
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277 R F 0.0000
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281 I F -0.5981
282 D F -1.2534
283 F F -0.4534
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285 N F -1.9281
286 D F -1.6946
287 L F 0.0000
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290 R F -1.2905
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7 L G 0.0000
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23 A G -1.5409
24 N G -2.2263
25 L G -1.6425
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28 Q G -2.1603
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31 K G -3.4807
32 K G -3.5537
33 H G -2.7484
34 P G -1.9859
35 K G -2.1149
36 T G 0.0000
37 N G -1.0079
38 L G 0.0000
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41 L G 0.0000
42 Q G 0.0000
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44 L G 0.0000
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55 N G -1.0820
56 P G -1.0331
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109 I G 1.6185
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111 G G 0.5203
112 V G 0.6171
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114 R G -0.1465
115 K G 0.0000
116 M G 0.0000
117 H G 0.0000
118 I G 0.0000
119 P G 0.0000
120 D G 0.0000
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122 P G 0.0000
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127 K G -0.1700
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135 L G 0.5003
136 G G -0.1947
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139 P G -0.2896
140 I G 0.5432
141 V G 1.4657
142 T G 0.0000
143 S G -0.2261
144 V G 0.4031
145 G G 0.3461
146 K G 0.1595
147 L G 0.0000
148 G G 0.0000
149 L G 0.0000
150 M G 0.0000
151 V G 0.0000
152 C G 0.0000
153 W G 0.0000
154 D G 0.0000
155 Q G 0.0000
156 W G 0.0000
157 Y G 0.0000
158 P G 0.0000
159 E G 0.0000
160 A G 0.0000
161 A G 0.0000
162 R G 0.0000
163 I G 0.0000
164 M G 0.0000
165 A G 0.0000
166 L G -0.7095
167 K G -1.1685
168 G G -0.4086
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170 E G -0.8103
171 I G 0.0000
172 L G 0.0000
173 I G 0.0000
174 Y G 0.0000
175 P G 0.0000
176 S G 0.0000
177 A G 0.0000
178 I G 0.0000
179 G G 0.0000
180 F G -0.1383
181 L G 0.0000
182 E G -1.7157
183 E G -2.3651
184 D G -2.6475
185 S G -2.2877
186 N G -2.9697
187 E G -3.2513
188 E G -2.5861
189 K G -2.0247
190 K G 0.0000
191 R G -2.4647
192 Q G 0.0000
193 Q G -1.1008
194 N G -1.8869
195 A G 0.0000
196 W G 0.0000
197 E G -0.8031
198 T G 0.0000
199 I G 0.0000
200 Q G 0.0000
201 R G -0.4573
202 G G 0.0000
203 H G 0.0000
204 A G 0.0000
205 I G 0.0000
206 A G 0.0000
207 N G 0.0000
208 G G 0.0000
209 L G 0.0000
210 P G 0.0000
211 L G 0.0000
212 I G 0.0000
213 A G 0.0000
214 T G 0.0000
215 N G 0.0000
216 R G 0.0000
217 V G 0.0000
218 G G 0.3848
219 V G 2.2490
220 E G 0.0000
221 L G 1.3896
222 D G 0.0000
223 P G -0.2570
224 S G -0.2959
225 G G -0.8623
226 A G 0.1874
227 I G 1.0001
228 K G -0.6760
229 G G -0.4312
230 G G 0.1298
231 I G 0.0000
232 T G 1.0520
233 F G 0.0000
234 F G 0.3783
235 G G 0.0000
236 S G 0.0000
237 S G 0.0000
238 F G 0.0000
239 V G 0.0000
240 V G 0.0000
241 G G 0.0000
242 A G 0.0023
243 L G 0.0680
244 G G 0.0000
245 E G -0.1350
246 F G 0.4088
247 L G 1.0256
248 A G 0.2804
249 K G -1.0737
250 A G 0.0000
251 S G -1.9880
252 D G -2.8119
253 K G -3.3964
254 E G -3.0763
255 E G -1.8853
256 I G -0.0954
257 L G 0.0000
258 Y G 0.8218
259 A G 0.0000
260 E G -1.6846
261 I G -1.7116
262 D G -2.7923
263 L G -2.6301
264 E G -3.7796
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276 L G -1.0583
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282 D G -2.0980
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286 D G -1.0381
287 L G 0.0000
288 L G -0.7363
289 K G -1.4356
290 R G 0.0000
2 I H -0.6903
3 C H 0.0000
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5 S H 0.0000
6 V H 0.0000
7 L H 0.0000
8 Q H 0.0000
9 H H 0.0000
10 A H -0.3568
11 Y H 0.2955
12 C H 0.0753
13 G H -0.3159
14 S H -1.0261
15 R H -1.4905
16 K H -2.7436
17 K H -2.4196
18 T H 0.0000
19 I H 0.0000
20 E H -2.5290
21 H H -1.8159
22 T H 0.0000
23 A H -1.2565
24 N H -2.0750
25 L H -1.5190
26 L H 0.0000
27 E H -2.0732
28 Q H -1.9905
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30 L H -1.6459
31 K H -2.6937
32 K H -1.8253
33 H H 0.0000
34 P H -1.6323
35 K H -2.1144
36 T H -1.4392
37 N H 0.0000
38 L H 0.0000
39 V H 0.0000
40 V H 0.0000
41 L H 0.0000
42 Q H 0.0000
43 E H 0.0000
44 L H 0.0000
45 N H 0.0000
46 P H -0.3342
47 Y H -0.1570
48 S H 0.4545
49 Y H 0.0000
50 F H 0.0000
51 C H 0.0000
52 Q H 0.0000
53 S H 0.0000
54 E H -1.7445
55 N H 0.0000
56 P H -1.4556
57 K H -2.1417
58 F H -1.2709
59 F H -1.1132
60 D H -2.1189
61 L H -0.8845
62 G H 0.0000
63 E H -2.0136
64 Y H -0.9967
65 F H -1.2694
66 E H -2.5066
67 E H -2.2299
68 D H 0.0000
69 K H -0.7048
70 A H -0.5341
71 F H 0.0311
72 F H 0.0000
73 S H -0.5548
74 A H -0.8732
75 L H -1.0664
76 A H 0.0000
77 Q H -3.1125
78 K H -2.7443
79 F H -1.8361
80 Q H -2.6101
81 V H 0.0000
82 V H 0.0000
83 L H 0.0000
84 V H 0.0000
85 A H 0.0000
86 S H 0.0000
87 L H 0.0000
88 F H 0.0000
89 E H 0.0000
90 K H -1.3639
91 R H -1.4327
92 A H -1.1496
93 K H -1.9366
94 G H -1.2205
95 L H -0.3654
96 Y H -0.1551
97 H H 0.0000
98 N H 0.0000
99 S H 0.0000
100 A H 0.0000
101 V H 0.0000
102 V H 0.0000
103 F H 0.0000
104 E H -0.6158
105 K H -2.0056
106 D H -2.7999
107 G H -1.4394
108 S H -0.0543
109 I H 1.6680
110 A H 1.3066
111 G H 0.6819
112 V H 0.7550
113 Y H 0.0000
114 R H -0.2831
115 K H 0.0000
116 M H 0.0000
117 H H 0.0000
118 I H 0.0000
119 P H 0.0000
120 D H -1.9096
121 D H -0.9473
122 P H -0.3367
123 G H 0.0320
124 F H 0.2790
125 Y H 0.3811
126 E H 0.0000
127 K H -1.0784
128 F H -0.2197
129 Y H 0.0000
130 F H 0.0000
131 T H -0.2584
132 P H -0.4964
133 G H 0.0000
134 D H -1.1712
135 L H -0.1211
136 G H 0.0000
137 F H 0.0000
138 E H -0.5736
139 P H -0.1530
140 I H 0.7035
141 V H 1.5615
142 T H 0.0000
143 S H -0.1936
144 V H 0.4860
145 G H 0.3985
146 K H 0.3705
147 L H 0.0000
148 G H 0.0000
149 L H 0.0000
150 M H 0.0000
151 V H 0.0000
152 C H 0.0000
153 W H 0.0000
154 D H 0.0000
155 Q H 0.0000
156 W H 0.0000
157 Y H 0.0000
158 P H 0.0000
159 E H 0.0000
160 A H 0.0000
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163 I H 0.0000
164 M H 0.0000
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167 K H -0.8692
168 G H -0.3844
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172 L H 0.0000
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174 Y H 0.0000
175 P H 0.0000
176 S H 0.0000
177 A H 0.0000
178 I H 0.0737
179 G H -0.0335
180 F H -1.1630
181 L H -0.8981
182 E H -1.7901
183 E H -2.5802
184 D H -2.7767
185 S H -2.9331
186 N H -3.4785
187 E H -3.5094
188 E H -3.5171
189 K H -3.8132
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191 R H -2.9413
192 Q H -1.8305
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195 A H 0.0000
196 W H 0.0000
197 E H 0.0000
198 T H 0.0000
199 I H 0.0000
200 Q H 0.0000
201 R H -0.4505
202 G H 0.0000
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206 A H 0.0000
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208 G H -0.1564
209 L H 0.0000
210 P H 0.0000
211 L H 0.0000
212 I H 0.0000
213 A H 0.0000
214 T H 0.0000
215 N H 0.0000
216 R H 0.0000
217 V H 0.0000
218 G H -0.1083
219 V H 1.9375
220 E H 1.4534
221 L H 1.5977
222 D H -0.0567
223 P H -0.4883
224 S H -0.6396
225 G H -0.2409
226 A H 0.2952
227 I H 1.2673
228 K H 0.5332
229 G H 0.1831
230 G H 0.6943
231 I H 0.8609
232 T H 0.6463
233 F H 0.0000
234 F H 0.0000
235 G H 0.0000
236 S H 0.0000
237 S H 0.0000
238 F H 0.0000
239 V H 0.0000
240 V H 0.0000
241 G H 0.0088
242 A H -0.2366
243 L H 0.0000
244 G H 0.0000
245 E H -0.3688
246 F H 0.5025
247 L H 1.3134
248 A H 0.6229
249 K H -0.5503
250 A H 0.0000
251 S H -2.1139
252 D H -3.1538
253 K H -3.5605
254 E H -3.1038
255 E H -1.6807
256 I H -0.2905
257 L H 0.7170
258 Y H 1.0038
259 A H 0.1720
260 E H -1.4156
261 I H -1.7077
262 D H -2.7969
263 L H 0.0000
264 E H -3.3076
265 R H -3.5652
266 T H 0.0000
267 E H -2.0035
268 E H -2.0000
269 V H 0.0000
270 R H 0.0000
271 R H 0.0000
272 M H -0.3978
273 W H 0.0000
274 P H 0.0000
275 F H 0.0000
276 L H 0.0000
277 R H 0.0000
278 D H 0.0000
279 R H 0.0000
280 R H 0.0000
281 I H -0.2951
282 D H -0.7153
283 F H -0.0639
284 Y H 0.0000
285 N H -1.5069
286 D H -1.5089
287 L H 0.0000
288 L H -1.6172
289 K H -2.7999
290 R H -2.8969
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Laboratory of Theory of Biopolymers 2018