Project name: 1HEZ

Status: done

Started: 2026-03-24 04:13:26
Settings
Chain sequence(s) A: DIQMTQSPSSLSASVGDRVTITCRTSQSISSYLNWYQQKPGKAPKLLIYAASSLQSGVPSRFSGSGSGTDFTLTISSLQPEDFATYYCQQSYSTPRTFGQGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGEC
C: DIQMTQSPSSLSASVGDRVTITCRTSQSISSYLNWYQQKPGKAPKLLIYAASSLQSGVPSRFSGSGSGTDFTLTISSLQPEDFATYYCQQSYSTPRTFGQGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGEC
B: QVQLVESGGGVVQPGRSLRLSCAASGFTFSGYGMHWVRQAPGKGLEWVALISYDESNKYYADSVKGRFTISRDNSKNTLYLQMNSLRAEDTAVYYCAKVKFYDPTAPNDYWGQGTLVTVSSGSASAPTLFPLVSCVAVGCLAQDFLPDSITFSWKYKNNSDISSTRGFPSVLRGGKYAATSQVLLPSHVVCKVQHPNGNKEKDVPLP
E: EVTIKVNLIFADGKIQTAEFKGTFEEATAEAYRYADLLAKVNGEYTADLEDGGNHMNIKFA
D: QVQLVESGGGVVQPGRSLRLSCAASGFTFSGYGMHWVRQAPGKGLEWVALISYDESNKYYADSVKGRFTISRDNSKNTLYLQMNSLRAEDTAVYYCAKVKFYDPTAPNDYWGQGTLVTVSSGSASAPTLFPLVSCENSTVAVGCLAQDFLPDSITFSWKYKNNSDISSTRGFPSVLRGGKYAATSQVLLPSNEHVVCKVQHPNGNKEKDVPLP
input PDB
Selected Chain(s) A,C,B,E,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                                        (00:00:00)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:10:26)
[INFO]       Main:     Simulation completed successfully.                                          (00:10:35)
Show buried residues

Minimal score value
-4.0134
Maximal score value
1.8974
Average score
-0.689
Total score value
-626.3146

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 -2.3891
2 I A -1.4933
3 Q A -1.8914
4 M A 0.0000
5 T A -0.8545
6 Q A 0.0000
7 S A 0.0000
8 P A 0.0000
9 S A -1.3506
10 S A -1.2533
11 L A 0.0000
12 S A 0.0000
13 A A 0.0000
14 S A 0.1040
15 V A 0.7897
16 G A -0.3118
17 D A -1.0688
18 R A -1.9267
19 V A 0.0000
20 T A -0.3637
21 I A 0.0000
22 T A -0.2809
23 C A 0.0000
24 R A -1.3095
25 T A 0.0000
26 S A -1.5920
27 Q A -1.9219
28 S A -0.9156
29 I A 0.0000
30 S A -0.2989
31 S A -0.0438
32 Y A 0.6777
33 L A 0.0000
34 N 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 -1.9155
40 P A -1.5992
41 G A -1.7043
42 K A -2.6972
43 A A -1.6887
44 P A 0.0000
45 K A -1.5777
46 L A 0.0000
47 L A 0.0000
48 I A 0.0000
49 Y A 0.2542
50 A A 0.2584
51 A A 0.0000
52 S A -0.2016
53 S A 0.0443
54 L A 0.3001
55 Q A -0.2388
56 S A -0.3069
57 G A -0.4459
58 V A -0.1119
59 P A -0.2958
60 S A -0.3723
61 R A -0.7931
62 F A 0.0000
63 S A -0.3298
64 G A -0.3000
65 S A -0.6551
66 G A -0.8896
67 S A -0.7319
68 G A -0.9147
69 T A -1.2292
70 D A -1.4858
71 F A 0.0000
72 T A -0.4397
73 L A 0.0000
74 T A -0.5809
75 I A 0.0000
76 S A -1.1357
77 S A -0.9238
78 L A 0.0000
79 Q A -0.8348
80 P A -0.8312
81 E A -1.7507
82 D A 0.0000
83 F A -0.6732
84 A A -0.9540
85 T A 0.0000
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 S A 0.0000
92 Y A 1.0625
93 S A 0.1676
94 T A -0.0898
95 P A -0.4490
96 R A 0.0000
97 T A -0.7116
98 F A 0.0000
99 G A 0.0000
100 Q A -1.9386
101 G A 0.0000
102 T A 0.0000
103 K A -2.0302
104 V A 0.0000
105 E A -0.9299
106 I A 0.0621
107 K A -0.0811
108 R A -0.4781
109 T A 0.3347
110 V A 1.1107
111 A A 0.2932
112 A A 0.0656
113 P A 0.0000
114 S A -0.0844
115 V A 0.0000
116 F A 0.3554
117 I A 0.0000
118 F A 0.0000
119 P A -0.3266
120 P A 0.0000
121 S A -1.4328
122 D A -2.7700
123 E A -2.6744
124 Q A 0.0000
125 L A -2.2253
126 K A -2.6808
127 S A -1.6427
128 G A -1.1686
129 T A -0.8203
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 -0.8007
139 F A 0.0000
140 Y A 0.0000
141 P A -1.4869
142 R A -3.0988
143 E A -3.2862
144 A A -2.3200
145 K A -2.5049
146 V A -1.0760
147 Q A -0.6493
148 W A 0.0000
149 K A -0.6796
150 V A 0.0000
151 D A -1.9461
152 N A -1.5496
153 A A -0.3172
154 L A 0.7075
155 Q A -0.3040
156 S A -0.6185
157 G A -1.1228
158 N A -1.2554
159 S A -1.3052
160 Q A -1.3798
161 E A -2.0233
162 S A 0.0000
163 V A -1.0491
164 T A -1.3162
165 E A -2.4263
166 Q A -2.0598
167 D A -2.1783
168 S A -1.7914
169 K A -2.2887
170 D A -1.6919
171 S A -1.6261
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 -0.6932
179 L A 0.0000
180 T A -0.3583
181 L A -0.5832
182 S A -1.4653
183 K A -2.6838
184 A A -2.0967
185 D A -2.9149
186 Y A 0.0000
187 E A -4.0134
188 K A -3.9617
189 H A -3.1996
190 K A -3.4835
191 V A -1.6083
192 Y A 0.0000
193 A A -0.9052
194 C A 0.0000
195 E A -0.8230
196 V A 0.0000
197 T A -1.1553
198 H A 0.0000
199 Q A -1.4954
200 G A -0.2746
201 L A -0.1338
202 S A -0.4269
203 S A -0.3695
204 P A -0.4812
205 V A 0.2048
206 T A -0.3443
207 K A -0.7104
208 S A -0.6260
209 F A 0.0000
210 N A -1.9834
211 R A -2.7750
212 G A -2.0725
213 E A -2.2276
214 C A -0.3985
1 Q B -1.3957
2 V B -0.6555
3 Q B -1.0652
4 L B 0.0000
5 V B 0.4210
6 E B 0.0000
7 S B -0.3190
8 G B -0.6314
9 G B -0.3060
10 G B 0.0285
11 V B 0.0332
12 V B 0.0000
13 Q B -1.8318
14 P B -2.0223
15 G B -2.3519
16 R B -2.9110
17 S B -2.3439
18 L B -1.3965
19 R B -1.8356
20 L B 0.0000
21 S B -0.3494
22 C B 0.0000
23 A B -0.2694
24 A B 0.0000
25 S B -0.7173
26 G B -0.8879
27 F B -0.2675
28 T B -0.1731
29 F B 0.0000
30 S B -0.9046
31 G B 0.2615
32 Y B 0.3549
33 G B -0.2541
34 M B 0.0000
35 H B 0.0000
36 W B 0.0000
37 V B 0.0000
38 R B 0.0000
39 Q B -0.8080
40 A B -1.1957
41 P B -1.0783
42 G B -1.5046
43 K B -2.3929
44 G B -1.6970
45 L B 0.0000
46 E B -1.1136
47 W B 0.0000
48 V B 0.0000
49 A B 0.0000
50 L B -0.0282
51 I B 0.0000
52 S B -0.9314
53 Y B -0.5424
54 D B -2.2777
55 E B -2.3527
56 S B -1.8089
57 N B -1.8595
58 K B -0.9756
59 Y B -0.1876
60 Y B -0.7459
61 A B 0.0000
62 D B -2.6580
63 S B -1.7939
64 V B 0.0000
65 K B -2.5074
66 G B -1.8579
67 R B -1.8082
68 F B 0.0000
69 T B -1.0757
70 I B 0.0000
71 S B -0.7723
72 R B 0.0000
73 D B -2.5730
74 N B -2.1917
75 S B -1.8948
76 K B -2.6794
77 N B -2.1276
78 T B -1.2489
79 L B 0.0000
80 Y B -0.6541
81 L B 0.0000
82 Q B -1.8090
83 M B 0.0000
84 N B -2.6326
85 S B -2.0630
86 L B 0.0000
87 R B -2.7967
88 A B -1.7935
89 E B -2.2882
90 D B 0.0000
91 T B -0.7537
92 A B 0.0000
93 V B 0.1856
94 Y B 0.0000
95 Y B 0.0000
96 C B 0.0000
97 A B 0.0000
98 K B 0.0000
99 V B 0.0000
100 K B 0.0964
101 F B 0.6571
102 Y B 0.9527
103 D B -0.6927
104 P B -0.3755
105 T B 0.0799
106 A B 0.0000
107 P B 0.0000
108 N B 0.0000
109 D B 0.0000
110 Y B 0.5050
111 W B 0.0000
112 G B 0.0000
113 Q B -1.5585
114 G B -0.6089
115 T B -0.0624
116 L B 0.1271
117 V B 0.0000
118 T B 0.0000
119 V B 0.0000
120 S B 0.0000
121 S B -0.7011
122 G B -0.6153
123 S B -0.4184
124 A B -0.6527
125 S B -0.8226
126 A B -1.3458
127 P B 0.0000
128 T B -0.9421
129 L B 0.0000
130 F B 0.0000
131 P B -0.8120
132 L B 0.0000
133 V B 0.6009
134 S B 0.6105
135 C B 0.0841
144 V B 1.8974
145 A B 0.0000
146 V B 0.0000
147 G B 0.0000
148 C B 0.0000
149 L B 0.0000
150 A B 0.0000
151 Q B 0.0000
152 D B -1.7671
153 F B 0.0000
154 L B 0.0000
155 P B 0.0000
156 D B -0.6632
157 S B -0.6387
158 I B -0.6213
159 T B -0.5200
160 F B -0.4608
161 S B -0.9231
162 W B 0.0000
163 K B -2.5299
164 Y B -2.2213
165 K B -3.2010
166 N B -2.9227
167 N B -2.9030
168 S B -2.3548
169 D B -2.6600
170 I B 0.0000
171 S B -0.8202
172 S B -0.3935
173 T B -0.5004
174 R B -0.5891
175 G B -0.7665
176 F B 0.0000
177 P B -0.7183
178 S B -0.1858
179 V B -0.0256
180 L B 0.7426
181 R B -0.5056
182 G B -0.8757
183 G B -0.7391
184 K B -1.0291
185 Y B 0.0000
186 A B -0.4091
187 A B 0.0000
188 T B 0.0000
189 S B 0.0000
190 Q B 0.0000
191 V B 0.0000
192 L B 0.7114
193 L B 0.7584
194 P B 0.2819
195 S B 0.2419
205 H B -1.6780
206 V B 0.0000
207 V B -1.9715
208 C B 0.0000
209 K B -2.1354
210 V B 0.0000
211 Q B -2.2217
212 H B 0.0000
213 P B -1.4163
214 N B -1.8686
215 G B -1.8627
216 N B -2.8626
217 K B -2.8102
218 E B -3.2756
219 K B -2.4530
220 D B -2.7567
221 V B 0.0000
222 P B -0.8637
223 L B 0.1521
224 P B 0.1707
1 D C -2.2672
2 I C 0.0000
3 Q C -1.9905
4 M C 0.0000
5 T C -0.7915
6 Q C 0.0000
7 S C 0.0000
8 P C 0.0000
9 S C -1.0911
10 S C -0.8331
11 L C 0.0000
12 S C -0.6850
13 A C 0.0000
14 S C -0.1772
15 V C 0.9031
16 G C -0.0930
17 D C 0.0000
18 R C -1.2991
19 V C 0.0000
20 T C 0.0000
21 I C 0.0000
22 T C 0.0000
23 C C 0.0000
24 R C -0.9821
25 T C -1.0631
26 S C -1.4080
27 Q C -1.5660
28 S C -0.6700
29 I C 0.0000
30 S C -0.1847
31 S C 0.0214
32 Y C 0.5821
33 L C 0.0000
34 N C 0.0000
35 W C 0.0000
36 Y C 0.0000
37 Q C 0.0000
38 Q C 0.0000
39 K C -2.1323
40 P C -1.6742
41 G C -1.7748
42 K C -2.7236
43 A C -1.7408
44 P C 0.0000
45 K C -1.8857
46 L C 0.0000
47 L C 0.0000
48 I C 0.0000
49 Y C 0.2894
50 A C 0.1941
51 A C 0.0000
52 S C -0.1508
53 S C 0.1290
54 L C 0.4158
55 Q C -0.2233
56 S C -0.3166
57 G C -0.4668
58 V C -0.3138
59 P C -0.2967
60 S C -0.3638
61 R C -0.6724
62 F C 0.0000
63 S C -0.2772
64 G C -0.2857
65 S C -0.6777
66 G C -0.5544
67 S C -0.5411
68 G C -0.6231
69 T C -0.7954
70 D C -0.8038
71 F C 0.0000
72 T C 0.0000
73 L C 0.0000
74 T C 0.0000
75 I C 0.0000
76 S C -0.9077
77 S C -0.5731
78 L C 0.0000
79 Q C -0.7427
80 P C -0.8586
81 E C -1.8922
82 D C 0.0000
83 F C -0.6396
84 A C -0.9610
85 T C 0.0000
86 Y C 0.0000
87 Y C 0.0000
88 C C 0.0000
89 Q C 0.0000
90 Q C 0.0000
91 S C 0.0000
92 Y C 0.6804
93 S C -0.0781
94 T C -0.1801
95 P C -0.5245
96 R C 0.0000
97 T C -0.6850
98 F C -0.5031
99 G C 0.0000
100 Q C -1.8918
101 G C 0.0000
102 T C 0.0000
103 K C -1.9392
104 V C 0.0000
105 E C 0.0000
106 I C 0.0373
107 K C -0.3622
108 R C -0.2895
109 T C 0.3470
110 V C 1.1784
111 A C 0.3770
112 A C 0.0629
113 P C 0.0000
114 S C -0.0411
115 V C 0.0547
116 F C -0.0354
117 I C 0.0000
118 F C 0.0000
119 P C -0.6202
120 P C 0.0000
121 S C -1.1624
122 D C -2.5521
123 E C -2.2711
124 Q C 0.0000
125 L C -1.8960
126 K C -2.6322
127 S C -1.6585
128 G C -1.3463
129 T C -1.0003
130 A C 0.0000
131 S C 0.0000
132 V C 0.0000
133 V C 0.0000
134 C C 0.0000
135 L C 0.0000
136 L C 0.0000
137 N C 0.0000
138 N C -0.7101
139 F C 0.0000
140 Y C 0.0000
141 P C -1.0840
142 R C -2.2385
143 E C -2.8553
144 A C -2.1298
145 K C -2.4354
146 V C -1.1770
147 Q C -0.8352
148 W C 0.0000
149 K C -0.6693
150 V C 0.0000
151 D C -1.7093
152 N C -1.5344
153 A C -0.3478
154 L C 0.6671
155 Q C -0.1369
156 S C -0.4425
157 G C -0.8653
158 N C -0.7593
159 S C -1.0863
160 Q C -1.3566
161 E C -2.1086
162 S C -0.9066
163 V C -0.8197
164 T C 0.0000
165 E C -2.3574
166 Q C -1.9321
167 D C -2.2526
168 S C -1.8208
169 K C -2.3078
170 D C -1.7102
171 S C -1.5694
172 T C 0.0000
173 Y C 0.0000
174 S C 0.0000
175 L C 0.0000
176 S C 0.0000
177 S C 0.0000
178 T C 0.0000
179 L C 0.0000
180 T C -0.4727
181 L C -0.6881
182 S C -1.1520
183 K C -2.0256
184 A C -1.8267
185 D C -2.8109
186 Y C 0.0000
187 E C -3.0538
188 K C -3.3933
189 H C -2.9054
190 K C -3.0976
191 V C -1.3401
192 Y C 0.0000
193 A C -1.0264
194 C C 0.0000
195 E C -0.9945
196 V C 0.0000
197 T C -1.2682
198 H C 0.0000
199 Q C -1.3741
200 G C -0.2537
201 L C -0.1874
202 S C -0.4646
203 S C -0.4373
204 P C -0.6605
205 V C -0.0514
206 T C -0.4567
207 K C -1.1563
208 S C -1.2922
209 F C 0.0000
210 N C -2.1253
211 R C -2.2820
212 G C -1.8447
213 E C -2.5131
214 C C -0.8390
1 Q D -1.3716
2 V D -0.6246
3 Q D -0.6769
4 L D 0.0000
5 V D 1.0529
6 E D 0.0000
7 S D -0.4291
8 G D -1.0521
9 G D -0.5380
10 G D 0.0164
11 V D 0.1420
12 V D -0.6693
13 Q D -1.6004
14 P D -1.8320
15 G D -1.9477
16 R D -2.5720
17 S D -1.9755
18 L D -1.5957
19 R D -2.3109
20 L D 0.0000
21 S D -0.4629
22 C D 0.0000
23 A D -0.0179
24 A D 0.0000
25 S D -0.7746
26 G D -0.9133
27 F D -0.2867
28 T D -0.1534
29 F D 0.0000
30 S D -0.6592
31 G D 0.4012
32 Y D 0.6346
33 G D 0.1123
34 M 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 -0.7983
40 A D -1.1753
41 P D -1.0109
42 G D -1.5044
43 K D -2.4129
44 G D -1.6892
45 L D 0.0000
46 E D -1.1720
47 W D 0.0000
48 V D 0.0000
49 A D 0.0000
50 L D 0.0212
51 I D 0.0000
52 S D -0.4897
53 Y D 0.2100
54 D D -1.8262
55 E D -1.7896
56 S D -1.4262
57 N D -1.4524
58 K D -1.1489
59 Y D -0.3981
60 Y D -0.8123
61 A D 0.0000
62 D D -2.3672
63 S D -1.6848
64 V D 0.0000
65 K D -2.4207
66 G D -1.6163
67 R D 0.0000
68 F D 0.0000
69 T D -0.9839
70 I D 0.0000
71 S D -0.7482
72 R D 0.0000
73 D D -1.9845
74 N D -1.8524
75 S D -1.6727
76 K D -2.4422
77 N D -1.7558
78 T D -1.0034
79 L D 0.0000
80 Y D -0.6025
81 L D 0.0000
82 Q D -1.6237
83 M D 0.0000
84 N D -1.6917
85 S D -1.5754
86 L D 0.0000
87 R D -2.3448
88 A D -1.5908
89 E D -2.2174
90 D D 0.0000
91 T D -0.6470
92 A D 0.0000
93 V D 0.3261
94 Y D 0.0000
95 Y D 0.0000
96 C D 0.0000
97 A D 0.0000
98 K D 0.0000
99 V D 0.0000
100 K D 0.3350
101 F D 1.0284
102 Y D 1.3825
103 D D -0.1099
104 P D -0.1844
105 T D 0.1871
106 A D 0.0000
107 P D 0.0000
108 N D 0.0000
109 D D -0.0447
110 Y D 0.1580
111 W D -0.2184
112 G D 0.0000
113 Q D -1.2197
114 G D -0.4838
115 T D 0.0000
116 L D 0.1643
117 V D 0.0000
118 T D 0.0000
119 V D 0.0000
120 S D -0.6794
121 S D -0.7165
122 G D -0.7087
123 S D -0.4482
124 A D -0.4406
125 S D -0.6325
126 A D -1.2525
127 P D 0.0000
128 T D -0.9271
129 L D 0.0000
130 F D -0.7031
131 P D -0.5591
132 L D 0.0000
133 V D 0.8908
134 S D 0.2385
135 C D -0.9947
136 E D -2.6236
137 N D -2.4099
142 S D -0.1449
143 T D 0.1128
144 V D 0.7036
145 A D 0.0000
146 V D 0.0000
147 G D 0.0000
148 C D 0.0000
149 L D 0.0000
150 A D 0.0000
151 Q D -0.5713
152 D D -1.2766
153 F D 0.0000
154 L D 0.0000
155 P D -0.4704
156 D D -0.4826
157 S D -0.5111
158 I D -0.5258
159 T D -0.5697
160 F D -0.3335
161 S D -0.8533
162 W D 0.0000
163 K D -2.0523
164 Y D -2.1822
165 K D -3.3577
166 N D -2.9570
167 N D -2.8437
168 S D -2.2921
169 D D -2.5661
170 I D 0.0000
171 S D -0.8060
172 S D -0.4171
173 T D -0.3323
174 R D -0.9964
175 G D -0.9198
176 F D 0.0000
177 P D -0.7376
178 S D 0.1278
179 V D 0.3441
180 L D 0.9631
181 R D -0.2115
182 G D -0.7433
183 G D -0.8159
184 K D -0.7594
185 Y D -0.1288
186 A D 0.0000
187 A D 0.0000
188 T D 0.0000
189 S D 0.0000
190 Q D 0.0000
191 V D 0.0000
192 L D 0.1971
193 L D 0.0000
194 P D -0.1924
195 S D -0.2457
203 N D -2.5876
204 E D -2.8779
205 H D -2.0525
206 V D 0.0000
207 V D -1.7638
208 C D 0.0000
209 K D -2.2998
210 V D 0.0000
211 Q D -2.3045
212 H D 0.0000
213 P D -1.1625
214 N D -1.4019
215 G D -1.7235
216 N D -2.9667
217 K D -3.1630
218 E D -3.4107
219 K D -2.3728
220 D D -2.5147
221 V D 0.0000
222 P D -0.9470
223 L D -0.4486
224 P D -0.5898
820 E E -2.0977
821 V E -1.2800
822 T E -1.2905
823 I E 0.0000
824 K E -1.7506
825 V E 0.0000
826 N E -0.5785
827 L E 0.0000
828 I E -0.3662
829 F E -0.7563
830 A E -1.1481
831 D E -2.0587
832 G E -1.4325
833 K E -1.0977
834 I E -0.1318
835 Q E 0.0000
836 T E -0.3250
837 A E 0.0000
838 E E -1.6100
839 F E 0.0000
840 K E -2.6411
841 G E 0.0000
842 T E -1.5446
843 F E 0.0000
844 E E -1.5755
845 E E -1.9349
846 A E 0.0000
847 T E 0.0000
848 A E -0.7209
849 E E -0.8482
850 A E 0.0000
851 Y E 0.0000
852 R E 0.0000
853 Y E 0.0000
854 A E 0.0000
855 D E 0.0000
856 L E 0.3834
857 L E 0.0637
858 A E -0.8023
859 K E -1.0334
860 V E 0.6377
861 N E -0.5854
862 G E -1.0691
863 E E -2.1205
864 Y E -1.1806
865 T E -0.7878
866 A E 0.0000
867 D E -0.7741
868 L E 0.0000
869 E E -2.5025
870 D E -2.9042
871 G E -1.8811
872 G E 0.0000
873 N E -1.5602
874 H E -1.8585
875 M E 0.0000
876 N E 0.0000
877 I E 0.0000
878 K E -1.2862
879 F E 0.0000
880 A E -0.9507
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Laboratory of Theory of Biopolymers 2018