Project name: Canine-PD1 VEGF 4-1

Status: done

Started: 2026-04-24 02:03:20
Settings
Chain sequence(s) A: DIVMTQSPGSLAVSAGESVSINCKSSQSLLYSSNQKNYLAWYQQKPGESPKLLIYWASTRESGVPDRFSGSGSGTDFTLTINNVQAEDVGVYYCQQYYSNPYTFGQGTKLEIKRTDAQPAVYLFQPSPDQLHTGSASVVCLLNSFYPKDINVKWKVDGVIQDTGIQESVTEQDKDSTYSLSSTLTMSSTEYLSHELYSCEITHKSLPSTLIKSFQRSECQRVD
C: EVQLVQSGAEVKKPGASVKVSCKTSGYTFTSFWMNWVRLAPGAGLDWIGRVDPYDSETHYNQKFKDRVILTVDTSTSTAYMELSSLRAGDIAVYYCATQFGFSWLAYWGQGTLVTVSAASTTAPSVFPLAPSCGSTSGSTVALACLVSGYFPEPVTVSWNSGSLTSGVHTFPSVLQSSGLYSLSSMVTVPSSRWPSETFTCNVAHPASKTKVDKPVPKRENGRVPRPPDCPKCPAPEMAGGPSVFIFPPKPKDTLYITREPEVTCVVVDLDPEDPEVQISWFVDGKQMQTAKTQPREEQFNGTYRVVSVLPIGHQDWLKGKQFTCKVNNKALPSGIERTISKARGQAHQPSVYVLPPSREELSKNTVSLTCLIKDFFPPDIDVEWQSNGQQEPESKYRTTPPQLDEDGSYFLYSKLSVDKSRWQRGDTFICAVMHEALHNHYTQESLSHSPGKGGGGSGGGGSGGGGSQVQLVQSGGDLVKPGGSLRLSCAASGFTFSAFSMSWVRQAPGKGLEWVAYINQDGSEKYYDDSVKGRFTISRDNAKNSLSLQMNSLRAEDTAVYYCARDIAAPPLGQGTLVTVSS
B: DIVMTQSPGSLAVSAGESVSINCKSSQSLLYSSNQKNYLAWYQQKPGESPKLLIYWASTRESGVPDRFSGSGSGTDFTLTINNVQAEDVGVYYCQQYYSNPYTFGQGTKLEIKRTDAQPAVYLFQPSPDQLHTGSASVVCLLNSFYPKDINVKWKVDGVIQDTGIQESVTEQDKDSTYSLSSTLTMSSTEYLSHELYSCEITHKSLPSTLIKSFQRSECQRVD
D: EVQLVQSGAEVKKPGASVKVSCKTSGYTFTSFWMNWVRLAPGAGLDWIGRVDPYDSETHYNQKFKDRVILTVDTSTSTAYMELSSLRAGDIAVYYCATQFGFSWLAYWGQGTLVTVSAASTTAPSVFPLAPSCGSTSGSTVALACLVSGYFPEPVTVSWNSGSLTSGVHTFPSVLQSSGLYSLSSMVTVPSSRWPSETFTCNVAHPASKTKVDKPVPKRENGRVPRPPDCPKCPAPEMAGGPSVFIFPPKPKDTLYITREPEVTCVVVDLDPEDPEVQISWFVDGKQMQTAKTQPREEQFNGTYRVVSVLPIGHQDWLKGKQFTCKVNNKALPSGIERTISKARGQAHQPSVYVLPPSREELSKNTVSLTCLIKDFFPPDIDVEWQSNGQQEPESKYRTTPPQLDEDGSYFLYSKLSVDKSRWQRGDTFICAVMHEALHNHYTQESLSHSPGKGGGGSGGGGSGGGGSQVQLVQSGGDLVKPGGSLRLSCAASGFTFSAFSMSWVRQAPGKGLEWVAYINQDGSEKYYDDSVKGRFTISRDNAKNSLSLQMNSLRAEDTAVYYCARDIAAPPLGQGTLVTVSS
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                                        (00:00:02)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:41:10)
[INFO]       Main:     Simulation completed successfully.                                          (00:41:58)
Show buried residues

Minimal score value
-4.151
Maximal score value
1.5244
Average score
-0.7266
Total score value
-1171.3568

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 -1.7576
2 I A 0.0000
3 V A 0.8009
4 M A 0.0000
5 T A -0.6815
6 Q A 0.0000
7 S A -0.9260
8 P A -0.8261
9 G A -1.2592
10 S A -1.0783
11 L A -0.6793
12 A A -0.7623
13 V A 0.0000
14 S A -1.6228
15 A A -1.8421
16 G A -1.9302
17 E A -2.5075
18 S A -1.9064
19 V A -0.7814
20 S A -0.4435
21 I A 0.0000
22 N A -1.4584
23 C A 0.0000
24 K A -1.8045
25 S A 0.0000
26 S A -0.6040
27 Q A -0.8771
28 S A -0.6811
29 L A 0.0000
30 L A -0.3161
31 Y A 0.0000
32 S A -0.9172
33 S A 0.0000
34 N A -1.4994
35 Q A -1.8208
36 K A -1.3783
37 N A 0.0000
38 Y A 0.0000
39 L A 0.0000
40 A A 0.0000
41 W A 0.0000
42 Y A 0.0000
43 Q A 0.0000
44 Q A 0.0000
45 K A -1.9260
46 P A -1.5856
47 G A -1.9016
48 E A -2.6801
49 S A -1.7098
50 P A 0.0000
51 K A -1.4753
52 L A 0.0000
53 L A 0.0000
54 I A 0.0000
55 Y A 0.0000
56 W A 0.0000
57 A A 0.0000
58 S A -0.6925
59 T A -0.6396
60 R A -1.3351
61 E A -1.2463
62 S A -1.2747
63 G A -1.2285
64 V A 0.0000
65 P A -1.3933
66 D A -2.4611
67 R A -1.9849
68 F A 0.0000
69 S A -1.0314
70 G A -0.5960
71 S A -0.8212
72 G A -1.2394
73 S A -1.1617
74 G A -1.0215
75 T A -1.4212
76 D A -2.3724
77 F A 0.0000
78 T A -1.0362
79 L A 0.0000
80 T A -0.6843
81 I A 0.0000
82 N A -2.5857
83 N A -2.7071
84 V A 0.0000
85 Q A -2.1261
86 A A -2.3727
87 E A -2.5417
88 D A 0.0000
89 V A -1.5540
90 G A 0.0000
91 V A -0.7787
92 Y A 0.0000
93 Y A 0.0000
94 C A 0.0000
95 Q A 0.0000
96 Q A 0.0000
97 Y A 0.0000
98 Y A 0.0719
99 S A -0.8685
100 N A -1.5986
101 P A 0.0000
102 Y A 0.0000
103 T A -0.2950
104 F A 0.0000
105 G A 0.0000
106 Q A -1.3562
107 G A 0.0000
108 T A 0.0000
109 K A -1.9751
110 L A 0.0000
111 E A -1.4372
112 I A 0.0000
113 K A -1.9026
114 R A -1.8143
115 T A -1.2955
116 D A -2.0809
117 A A -1.5123
118 Q A -1.6595
119 P A 0.0000
120 A A -0.1991
121 V A 0.0000
122 Y A 0.0024
123 L A 0.0000
124 F A 0.0000
125 Q A -0.3509
126 P A 0.0000
127 S A 0.0000
128 P A -1.2938
129 D A -2.0822
130 Q A 0.0000
131 L A -0.9492
132 H A -1.6671
133 T A -1.1077
134 G A -1.1233
135 S A -0.8111
136 A A 0.0000
137 S A 0.0000
138 V A 0.0000
139 V A 0.0000
140 C A 0.0000
141 L A 0.0000
142 L A 0.0000
143 N A 0.0000
144 S A -0.7145
145 F A 0.0000
146 Y A 0.0000
147 P A -2.1005
148 K A -2.4226
149 D A -2.7096
150 I A -1.7110
151 N A -1.9730
152 V A -0.8037
153 K A -1.0605
154 W A 0.0000
155 K A 0.0689
156 V A 0.0000
157 D A -0.9024
158 G A 0.0460
159 V A 1.5019
160 I A 0.9507
161 Q A -0.3245
162 D A -1.5394
163 T A -0.8454
164 G A -0.5660
165 I A -0.5546
166 Q A -0.5199
167 E A -1.0514
168 S A -0.6458
169 V A -0.4732
170 T A -1.0406
171 E A -2.4242
172 Q A 0.0000
173 D A -2.7638
174 K A -3.3643
175 D A -2.6592
176 S A 0.0000
177 T A 0.0000
178 Y A -1.3096
179 S A 0.0000
180 L A 0.0000
181 S A 0.0000
182 S A 0.0000
183 T A -0.2517
184 L A 0.0000
185 T A -0.2043
186 M A -0.4083
187 S A -0.6020
188 S A 0.0000
189 T A -0.6894
190 E A -1.5313
191 Y A 0.0000
192 L A -0.0101
193 S A -0.6815
194 H A -1.1793
195 E A -1.3725
196 L A -0.5679
197 Y A 0.0000
198 S A 0.0000
199 C A 0.0000
200 E A -0.3106
201 I A 0.0000
202 T A -0.9744
203 H A 0.0000
204 K A -2.6228
205 S A -1.5600
206 L A -0.9601
207 P A -0.6933
208 S A -0.3025
209 T A -0.2414
210 L A 0.4577
211 I A 0.6750
212 K A -0.2375
213 S A -0.3739
214 F A 0.0000
215 Q A -1.8551
216 R A -1.6073
217 S A -1.6789
218 E A -2.4751
219 C A -1.6475
220 Q A -1.6133
221 R A -2.2264
222 V A -1.0513
223 D A -2.2787
1 D B -1.8147
2 I B 0.0000
3 V B 0.7888
4 M B 0.0000
5 T B -0.6388
6 Q B 0.0000
7 S B -0.8953
8 P B -0.8303
9 G B -1.0978
10 S B -0.7869
11 L B -0.4933
12 A B -0.6565
13 V B 0.0000
14 S B -1.6012
15 A B -1.8294
16 G B -1.9707
17 E B -2.5270
18 S B -2.0213
19 V B 0.0000
20 S B -0.5230
21 I B 0.0000
22 N B -1.3776
23 C B 0.0000
24 K B -1.7257
25 S B 0.0000
26 S B -0.6590
27 Q B -1.0393
28 S B -0.7715
29 L B 0.0000
30 L B -0.3891
31 Y B 0.0000
32 S B -0.9075
33 S B 0.0000
34 N B -1.4557
35 Q B -1.8268
36 K B -1.4300
37 N B 0.0000
38 Y B 0.0000
39 L B 0.0000
40 A B 0.0000
41 W B 0.0000
42 Y B 0.0000
43 Q B 0.0000
44 Q B 0.0000
45 K B -1.9259
46 P B -1.5246
47 G B -1.8612
48 E B -2.7559
49 S B -1.8296
50 P B 0.0000
51 K B -1.9523
52 L B 0.0000
53 L B 0.0000
54 I B 0.0000
55 Y B 0.0000
56 W B 0.0000
57 A B 0.0000
58 S B -0.6628
59 T B -0.5756
60 R B -1.1719
61 E B -1.3479
62 S B -1.0938
63 G B -1.0772
64 V B -1.0243
65 P B -1.2809
66 D B -2.4392
67 R B -2.0162
68 F B 0.0000
69 S B -0.9874
70 G B -0.5592
71 S B -0.8144
72 G B -1.2256
73 S B -1.1657
74 G B -1.0754
75 T B -1.4486
76 D B -2.3644
77 F B 0.0000
78 T B -1.0192
79 L B 0.0000
80 T B -0.7576
81 I B 0.0000
82 N B -2.7322
83 N B -2.8390
84 V B 0.0000
85 Q B -2.1979
86 A B -2.4345
87 E B -2.5909
88 D B 0.0000
89 V B 0.0000
90 G B 0.0000
91 V B -0.4651
92 Y B 0.0000
93 Y B 0.0000
94 C B 0.0000
95 Q B 0.0000
96 Q B 0.0000
97 Y B 0.0000
98 Y B -0.1488
99 S B -1.0479
100 N B -1.7524
101 P B -1.6987
102 Y B 0.0000
103 T B -0.3436
104 F B 0.0000
105 G B 0.0000
106 Q B -1.2918
107 G B 0.0000
108 T B 0.0000
109 K B -1.2138
110 L B 0.0000
111 E B -1.1869
112 I B 0.0000
113 K B -1.8095
114 R B -1.7340
115 T B -1.1902
116 D B -1.9207
117 A B -1.4537
118 Q B -1.5988
119 P B 0.0000
120 A B -0.1045
121 V B 0.1644
122 Y B 0.0869
123 L B 0.0000
124 F B 0.0000
125 Q B -0.3380
126 P B 0.0000
127 S B 0.0000
128 P B -1.3675
129 D B -2.2626
130 Q B 0.0000
131 L B -1.0053
132 H B -1.7238
133 T B -1.1425
134 G B -1.1237
135 S B -0.8159
136 A B 0.0000
137 S B 0.0000
138 V B 0.0000
139 V B 0.0000
140 C B 0.0000
141 L B 0.0000
142 L B 0.0000
143 N B 0.0000
144 S B -0.7617
145 F B 0.0000
146 Y B 0.0000
147 P B -2.1239
148 K B -2.5036
149 D B -2.7782
150 I B -1.7999
151 N B -2.0679
152 V B 0.0000
153 K B -1.0681
154 W B 0.0000
155 K B 0.0784
156 V B 0.0000
157 D B -0.9671
158 G B 0.0111
159 V B 1.5244
160 I B 1.0910
161 Q B -0.2398
162 D B -1.4973
163 T B -0.8271
164 G B -0.5661
165 I B -0.5616
166 Q B -0.5013
167 E B -1.0122
168 S B -0.5776
169 V B -0.4150
170 T B -0.9142
171 E B -2.1543
172 Q B 0.0000
173 D B -2.7079
174 K B -3.4138
175 D B -2.8244
176 S B 0.0000
177 T B 0.0000
178 Y B 0.0000
179 S B 0.0000
180 L B 0.0000
181 S B 0.0000
182 S B 0.0000
183 T B -0.2384
184 L B 0.0000
185 T B -0.1964
186 M B -0.3875
187 S B -0.5820
188 S B 0.0000
189 T B -0.6726
190 E B -1.5048
191 Y B 0.0000
192 L B 0.0291
193 S B -0.6501
194 H B -1.1402
195 E B -1.2916
196 L B -0.5753
197 Y B 0.0000
198 S B -0.2844
199 C B 0.0000
200 E B -0.2756
201 I B 0.0000
202 T B -0.9926
203 H B 0.0000
204 K B -2.6088
205 S B -1.5151
206 L B -0.9418
207 P B -0.6917
208 S B -0.2800
209 T B -0.2160
210 L B 0.5384
211 I B 0.7980
212 K B -0.2090
213 S B -0.3941
214 F B 0.0000
215 Q B -1.6621
216 R B -1.5394
217 S B -1.6913
218 E B -2.6453
219 C B -1.7525
220 Q B -1.5819
221 R B -2.2543
222 V B -1.0302
223 D B -2.2302
1 E C -1.5251
2 V C -0.6009
3 Q C -0.8676
4 L C 0.0000
5 V C 0.6270
6 Q C 0.0000
7 S C -0.3389
8 G C -0.6434
9 A C 0.0000
10 E C 0.0000
11 V C 0.0000
12 K C 0.0000
13 K C -2.2642
14 P C -1.8706
15 G C -1.4861
16 A C -1.4247
17 S C 0.0000
18 V C 0.0000
19 K C 0.0000
20 V C 0.0000
21 S C -0.1532
22 C C 0.0000
23 K C -0.5019
24 T C 0.0000
25 S C -0.5534
26 G C -0.8731
27 Y C -0.2617
28 T C -0.1812
29 F C 0.0000
30 T C 0.0000
31 S C 0.1225
32 F C 0.3115
33 W C 0.1784
34 M C 0.0000
35 N C 0.0000
36 W C 0.0000
37 V C 0.0000
38 R C 0.0000
39 L C 0.3577
40 A C 0.0000
41 P C -0.3066
42 G C -0.6926
43 A C -0.5282
44 G C -0.5671
45 L C 0.0000
46 D C -0.5032
47 W C 0.0000
48 I C 0.0000
49 G C 0.0000
50 R C 0.0000
51 V C 0.0000
52 D C -0.6238
53 P C 0.0000
54 Y C -0.5659
55 D C -1.6333
56 S C -0.9990
57 E C -1.0369
58 T C -0.4354
59 H C -0.7547
60 Y C -1.3419
61 N C 0.0000
62 Q C -3.2154
63 K C -3.0490
64 F C 0.0000
65 K C -3.4195
66 D C -3.1659
67 R C -1.9669
68 V C 0.0000
69 I C -0.1074
70 L C 0.0000
71 T C 0.0000
72 V C 0.0000
73 D C 0.0000
74 T C -0.1715
75 S C 0.0000
76 T C -0.2696
77 S C 0.0000
78 T C 0.0000
79 A C 0.0000
80 Y C 0.0000
81 M C 0.0000
82 E C 0.0000
83 L C 0.0000
84 S C -0.7521
85 S C -1.2225
86 L C 0.0000
87 R C -2.2473
88 A C -1.1293
89 G C -0.8457
90 D C 0.0000
91 I C 0.2588
92 A C 0.0000
93 V C 0.5671
94 Y C 0.0000
95 Y C 0.0000
96 C C 0.0000
97 A C 0.0000
98 T C 0.0000
99 Q C 0.0000
100 F C 0.3173
101 G C 0.0000
102 F C 0.1052
103 S C 0.0000
104 W C 0.0000
105 L C 0.0000
106 A C 0.0191
107 Y C -0.0311
108 W C -0.3551
109 G C 0.0000
110 Q C -1.3230
111 G C -0.5467
112 T C 0.0000
113 L C 0.3838
114 V C 0.0000
115 T C 0.0000
116 V C 0.0000
117 S C -0.9224
118 A C -0.6680
119 A C -0.3642
120 S C -0.4255
121 T C -0.1504
122 T C -0.0446
123 A C -0.4612
124 P C 0.0000
125 S C -0.2640
126 V C 0.0000
127 F C 0.0000
128 P C -0.6558
129 L C 0.0000
130 A C -0.4628
131 P C -0.3507
132 S C 0.0000
133 C C -0.5718
134 G C -0.5783
135 S C -0.4731
136 T C -0.4198
137 S C -0.5632
138 G C -0.6786
139 S C -0.5538
140 T C -0.5011
141 V C 0.0000
142 A C 0.0000
143 L C 0.0000
144 A C 0.0000
145 C C 0.0000
146 L C 0.0000
147 V C 0.0000
148 S C 0.1246
149 G C 0.1033
150 Y C 0.0000
151 F C 0.0000
152 P C 0.0000
153 E C -0.1497
154 P C -0.2488
155 V C 0.0000
156 T C -0.2675
157 V C -0.2772
158 S C -0.4617
159 W C 0.0000
160 N C -0.9017
161 S C -0.9090
162 G C -0.6980
163 S C -0.5580
164 L C -0.2623
165 T C -0.2746
166 S C -0.2258
167 G C -0.1517
168 V C 0.1635
169 H C -0.1344
170 T C 0.0320
171 F C 0.0000
172 P C -0.3845
173 S C 0.1721
174 V C 0.5475
175 L C 1.2263
176 Q C 0.3240
177 S C -0.1157
178 S C -0.1613
179 G C 0.0883
180 L C 0.4302
181 Y C 0.6342
182 S C 0.0000
183 L C 0.0000
184 S C 0.0000
185 S C 0.0000
186 M C 0.0000
187 V C 0.0000
188 T C -0.0917
189 V C 0.0000
190 P C -0.5724
191 S C -0.6758
192 S C -0.7833
193 R C -1.1141
194 W C 0.0000
195 P C -1.3449
196 S C -0.9858
197 E C -1.2887
198 T C -0.8221
199 F C 0.0000
200 T C -0.9948
201 C C 0.0000
202 N C -1.3819
203 V C 0.0000
204 A C -1.2003
205 H C 0.0000
206 P C -1.3390
207 A C -0.9058
208 S C -1.2712
209 K C -2.3231
210 T C -1.5911
211 K C -2.3254
212 V C -1.4497
213 D C -2.3692
214 K C -1.4454
215 P C -1.0412
216 V C 0.0000
217 P C -1.1051
218 K C -2.2844
219 R C -3.3196
220 E C -3.7467
221 N C -3.1101
222 G C -2.4405
223 R C -2.1081
224 V C -0.3698
225 P C -1.0198
226 R C -2.2593
227 P C -1.5170
228 P C -1.7676
229 D C -2.2879
230 C C -0.8396
231 P C -1.2513
232 K C -1.7707
233 C C -0.7029
234 P C -0.8820
235 A C -0.8418
236 P C -0.9860
237 E C -1.5958
238 M C 0.0279
239 A C -0.4547
240 G C -1.1326
241 G C -0.8012
242 P C 0.0000
243 S C -0.1253
244 V C 0.0000
245 F C -0.1553
246 I C -0.2013
247 F C -0.3387
248 P C -0.6366
249 P C 0.0000
250 K C -1.6903
251 P C -1.0064
252 K C -1.0395
253 D C -1.5526
254 T C 0.0000
255 L C 0.0000
256 Y C -0.4106
257 I C -0.1940
258 T C -0.6109
259 R C -2.2419
260 E C -2.8321
261 P C 0.0000
262 E C -1.9561
263 V C 0.0000
264 T C -0.3448
265 C C 0.0000
266 V C 0.0000
267 V C 0.0000
268 V C 0.0000
269 D C -1.2146
270 L C 0.0000
271 D C -2.3463
272 P C -2.0445
273 E C -2.7772
274 D C -2.5726
275 P C -2.5000
276 E C -3.1036
277 V C -2.1598
278 Q C -2.0448
279 I C -1.3191
280 S C -1.1387
281 W C 0.0000
282 F C -1.8671
283 V C 0.0000
284 D C -3.2480
285 G C -2.5623
286 K C -3.1076
287 Q C -2.4036
288 M C -1.3198
289 Q C -1.7537
290 T C -1.1178
291 A C -1.2583
292 K C -1.9099
293 T C -1.2889
294 Q C 0.0000
295 P C -1.5314
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175 L D 1.2078
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207 A D -0.8933
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213 D D -1.8707
214 K D -1.2117
215 P D -1.0373
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217 P D -1.7084
218 K D -3.2690
219 R D -3.7378
220 E D -4.1510
221 N D -3.2177
222 G D -2.5292
223 R D -2.0835
224 V D -0.1066
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226 R D -2.2407
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229 D D -2.2685
230 C D -0.8244
231 P D -1.2301
232 K D -1.7534
233 C D -0.6737
234 P D -0.8775
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238 M D 0.0364
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245 F D -0.0516
246 I D -0.2791
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248 P D -0.5250
249 P D 0.0000
250 K D -1.6197
251 P D -0.9484
252 K D -1.1064
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255 L D 0.0000
256 Y D -0.5878
257 I D -0.4974
258 T D -0.7340
259 R D -2.2050
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261 P D 0.0000
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263 V D 0.0000
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269 D D -1.2240
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386 Q D 0.0000
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388 N D -1.8917
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390 Q D -2.2599
391 Q D -2.1688
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393 P D -1.1679
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395 S D -0.7396
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419 D D -1.5463
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429 F D 0.0000
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434 M D 0.0000
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562 Y D 0.0000
563 Y D 0.4221
564 C D 0.0000
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567 D D -0.1574
568 I D 0.5131
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570 A D 0.0000
571 P D 0.0000
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573 L D -0.1263
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575 Q D -0.7764
576 G D 0.0250
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578 L D 1.2301
579 V D 0.0000
580 T D -0.0709
581 V D 0.0000
582 S D -0.5556
583 S D -0.8728
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Laboratory of Theory of Biopolymers 2018