Receptor
PDB id Resolution Class Description Source Keywords
5JJR 1.99 Å EC: 7.-.-.- DENGUE 3 NS5 PROTEIN WITH COMPOUND 29 DENGUE VIRUS 3 RDRP DENGUE TRANSFERASE-INHIBITOR COMPLEX
Ref.: POTENT ALLOSTERIC DENGUE VIRUS NS5 POLYMERASE INHIB MECHANISM OF ACTION AND RESISTANCE PROFILING PLOS PATHOG. V. 12 05737 2016
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
EDO A:1007;
A:1005;
A:1011;
A:1013;
A:1012;
A:1009;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
submit data
62.068 C2 H6 O2 C(CO)...
PEG A:1008;
A:1014;
A:1010;
Invalid;
Invalid;
Invalid;
none;
none;
none;
submit data
106.12 C4 H10 O3 C(COC...
SAH A:1003;
Valid;
none;
submit data
384.411 C14 H20 N6 O5 S c1nc(...
ZN A:1001;
A:1002;
Part of Protein;
Part of Protein;
none;
none;
submit data
65.409 Zn [Zn+2...
68E A:1004;
Valid;
none;
ic50 = 0.016 uM
492.567 C25 H20 N2 O5 S2 Cc1cc...
MG A:1006;
Part of Protein;
none;
submit data
24.305 Mg [Mg+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5JJR 1.99 Å EC: 7.-.-.- DENGUE 3 NS5 PROTEIN WITH COMPOUND 29 DENGUE VIRUS 3 RDRP DENGUE TRANSFERASE-INHIBITOR COMPLEX
Ref.: POTENT ALLOSTERIC DENGUE VIRUS NS5 POLYMERASE INHIB MECHANISM OF ACTION AND RESISTANCE PROFILING PLOS PATHOG. V. 12 05737 2016
Members (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 250 families.
1 4V0Q - SAH C14 H20 N6 O5 S c1nc(c2c(n....
2 5JJR ic50 = 0.016 uM 68E C25 H20 N2 O5 S2 Cc1cc(c(cc....
3 4V0R - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
4 5JJS ic50 = 0.048 uM 6L2 C23 H27 N O7 S2 COc1cc(c(c....
70% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 217 families.
1 4V0Q - SAH C14 H20 N6 O5 S c1nc(c2c(n....
2 5JJR ic50 = 0.016 uM 68E C25 H20 N2 O5 S2 Cc1cc(c(cc....
3 4V0R - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
4 5JJS ic50 = 0.048 uM 6L2 C23 H27 N O7 S2 COc1cc(c(c....
50% Homology Family (18)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 5K5M - 68T C23 H21 N O7 S2 COc1cccc(c....
2 4HDG - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
3 4HDH - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
4 3VWS Kd = 225 uM VWS C16 H12 Cl N O5 S Cc1c(c2cc(....
5 5HMZ - LNZ C17 H17 N O5 S2 Cc1cc(c(cc....
6 5HMY ic50 = 0.5 uM LNY C17 H14 O5 S c1cc(sc1C#....
7 5I3Q - 68E C25 H20 N2 O5 S2 Cc1cc(c(cc....
8 5F41 Kd = 67 uM 5V6 C13 H12 O3 S COc1ccc(cc....
9 5I3P - 68T C23 H21 N O7 S2 COc1cccc(c....
10 5HN0 - LNN C14 H12 O3 c1ccc(cc1)....
11 5HMW - LNW C16 H14 O4 c1ccc(cc1)....
12 5F3Z Kd = 29 uM 5V5 C13 H12 O3 S COc1ccc(cc....
13 5F3T Kd = 210 uM 5UH C15 H14 O3 COc1ccc(cc....
14 5HMX - LNX C14 H12 O4 S c1cc(sc1)c....
15 4V0Q - SAH C14 H20 N6 O5 S c1nc(c2c(n....
16 5JJR ic50 = 0.016 uM 68E C25 H20 N2 O5 S2 Cc1cc(c(cc....
17 4V0R - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
18 5JJS ic50 = 0.048 uM 6L2 C23 H27 N O7 S2 COc1cc(c(c....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: SAH; Similar ligands found: 197
No: Ligand ECFP6 Tc MDL keys Tc
1 SAH 1 1
2 5X8 0.759494 0.969697
3 A7D 0.734177 0.926471
4 TT8 0.709302 0.970588
5 SXZ 0.692308 0.916667
6 DSH 0.692308 0.914286
7 DTA 0.666667 0.857143
8 3DH 0.662338 0.869565
9 S8M 0.655556 0.901408
10 SFG 0.635294 0.954545
11 SA8 0.62069 0.915493
12 EEM 0.617977 0.890411
13 MTA 0.615385 0.869565
14 SAI 0.613636 0.955882
15 S7M 0.586957 0.916667
16 36A 0.586538 0.90411
17 K15 0.583333 0.878378
18 RAB 0.573333 0.84058
19 ADN 0.573333 0.84058
20 XYA 0.573333 0.84058
21 62X 0.572917 0.855263
22 5CD 0.571429 0.852941
23 0UM 0.5625 0.876712
24 5N5 0.558442 0.84058
25 A4D 0.551282 0.867647
26 SAM 0.537634 0.916667
27 SSA 0.536842 0.712644
28 SMM 0.536842 0.88
29 KB1 0.534653 0.902778
30 A5D 0.532609 0.857143
31 SIB 0.53125 0.928571
32 EP4 0.530864 0.819444
33 DSZ 0.530612 0.732558
34 GSU 0.53 0.752941
35 AMP 0.529412 0.763158
36 A 0.529412 0.763158
37 5CA 0.525773 0.712644
38 ME8 0.524752 0.8125
39 M2T 0.52439 0.821918
40 6RE 0.523256 0.824324
41 GJV 0.522727 0.813333
42 AAT 0.515789 0.863014
43 LSS 0.515152 0.696629
44 KAA 0.514852 0.727273
45 J7C 0.511364 0.835616
46 A5A 0.510417 0.697674
47 SON 0.505495 0.805195
48 SRP 0.505155 0.805195
49 5AL 0.5 0.779221
50 VMS 0.5 0.681818
51 KH3 0.5 0.866667
52 ADX 0.5 0.694118
53 CA0 0.5 0.769231
54 AMP MG 0.5 0.74359
55 AMO 0.5 0.805195
56 54H 0.5 0.681818
57 AHX 0.49505 0.753086
58 TSB 0.494949 0.689655
59 53H 0.494949 0.674157
60 G5A 0.494737 0.712644
61 A2D 0.494382 0.74359
62 ABM 0.494382 0.74359
63 ZAS 0.494253 0.808219
64 A6D 0.490196 0.759494
65 8QN 0.49 0.779221
66 GEK 0.49 0.956522
67 GAP 0.489583 0.769231
68 A3S 0.48913 0.884058
69 AN2 0.48913 0.734177
70 S4M 0.488889 0.831169
71 SRA 0.488636 0.746835
72 LAD 0.485437 0.810127
73 52H 0.484848 0.674157
74 A12 0.483516 0.759494
75 BA3 0.483516 0.74359
76 AP2 0.483516 0.759494
77 AOC 0.483146 0.842857
78 NEC 0.483146 0.788732
79 Y3J 0.481481 0.768116
80 NVA LMS 0.480392 0.696629
81 VRT 0.479167 0.861111
82 50T 0.478723 0.734177
83 5AS 0.478261 0.655556
84 B4P 0.478261 0.74359
85 ADP 0.478261 0.74359
86 AP5 0.478261 0.74359
87 A3N 0.477778 0.830986
88 YSA 0.476636 0.712644
89 XAH 0.476636 0.768293
90 0XU 0.473684 0.897059
91 WAQ 0.471154 0.807692
92 NSS 0.470588 0.712644
93 5AD 0.468354 0.791045
94 ADP MG 0.468085 0.734177
95 AU1 0.468085 0.725
96 M33 0.468085 0.734177
97 MAO 0.467391 0.797468
98 TXA 0.466667 0.759494
99 A3G 0.466667 0.871429
100 NB8 0.466667 0.775
101 3AM 0.465909 0.727273
102 DAL AMP 0.465347 0.779221
103 ATP 0.463158 0.74359
104 ADP BEF 0.463158 0.716049
105 A3T 0.463158 0.842857
106 BEF ADP 0.463158 0.716049
107 ACP 0.463158 0.746835
108 7D7 0.4625 0.785714
109 LEU LMS 0.461538 0.677778
110 APC 0.458333 0.759494
111 AQP 0.458333 0.74359
112 APR 0.458333 0.766234
113 PRX 0.458333 0.746835
114 AR6 0.458333 0.766234
115 5FA 0.458333 0.74359
116 IOT 0.456897 0.761905
117 4AD 0.456311 0.794872
118 PAJ 0.456311 0.722892
119 WSA 0.45614 0.72093
120 FA5 0.453704 0.805195
121 YAP 0.453704 0.794872
122 RBY 0.453608 0.782051
123 ADV 0.453608 0.782051
124 ADP PO3 0.453608 0.763158
125 AD9 0.453608 0.725
126 SAP 0.453608 0.728395
127 AGS 0.453608 0.728395
128 PTJ 0.45283 0.731707
129 MHZ 0.452632 0.797468
130 00A 0.451923 0.740741
131 A3P 0.451613 0.74026
132 YLP 0.451327 0.771084
133 7MD 0.45045 0.768293
134 ALF ADP 0.45 0.707317
135 ADP ALF 0.45 0.707317
136 ATP MG 0.44898 0.734177
137 2VA 0.447917 0.819444
138 OOB 0.446602 0.779221
139 ANP 0.444444 0.725
140 ACQ 0.444444 0.746835
141 TAT 0.444444 0.7375
142 P5A 0.443396 0.719101
143 7D5 0.443182 0.708861
144 ARG AMP 0.442478 0.759036
145 A1R 0.442308 0.7625
146 YLC 0.439655 0.790123
147 2AM 0.438202 0.717949
148 DLL 0.438095 0.779221
149 A22 0.436893 0.734177
150 D3Y 0.436893 0.859155
151 TYR AMP 0.436364 0.782051
152 ATF 0.435644 0.716049
153 MYR AMP 0.435185 0.746988
154 SO8 0.434343 0.808219
155 3UK 0.433962 0.769231
156 OAD 0.433962 0.769231
157 TAD 0.433628 0.765432
158 25A 0.432692 0.74359
159 ANP MG 0.431373 0.707317
160 VO4 ADP 0.431373 0.734177
161 ADP VO4 0.431373 0.734177
162 9SN 0.431193 0.731707
163 TYM 0.431034 0.805195
164 PR8 0.429907 0.8
165 ADQ 0.428571 0.746835
166 YLB 0.42735 0.771084
167 3OD 0.425926 0.769231
168 FYA 0.425926 0.779221
169 1ZZ 0.425926 0.746988
170 PPS 0.425743 0.674419
171 NVA 2AD 0.424242 0.808219
172 MAP 0.423077 0.707317
173 A2P 0.421053 0.727273
174 4YB 0.421053 0.735632
175 ADP BMA 0.420561 0.746835
176 5SV 0.419048 0.731707
177 3NZ 0.416667 0.824324
178 YLA 0.416667 0.771084
179 48N 0.413793 0.753086
180 LPA AMP 0.413793 0.768293
181 AYB 0.413223 0.761905
182 QQY 0.413043 0.696203
183 ACK 0.413043 0.710526
184 JB6 0.412844 0.7625
185 BIS 0.412844 0.719512
186 PAP 0.41 0.730769
187 OVE 0.408602 0.7125
188 4UV 0.40708 0.75
189 AMP DBH 0.40708 0.746835
190 3AD 0.406977 0.852941
191 AF3 ADP 3PG 0.40678 0.743902
192 OMR 0.40678 0.738095
193 LAQ 0.405172 0.768293
194 A A 0.40367 0.74359
195 7C5 0.403509 0.789474
196 7MC 0.403361 0.75
197 4UU 0.4 0.75
Ligand no: 2; Ligand: 68E; Similar ligands found: 4
No: Ligand ECFP6 Tc MDL keys Tc
1 68E 1 1
2 LNZ 0.623656 0.853333
3 68T 0.477477 0.906667
4 6L2 0.40678 0.797619
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5JJR; Ligand: 68E; Similar sites found: 4
This union binding pocket(no: 1) in the query (biounit: 5jjr.bio1) has 22 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5BU2 AMP 0.02544 0.41663 1.98238
2 4BR5 ANP 0.01579 0.40027 2.62582
3 4R6W PC 0.007578 0.43081 3.87597
4 5DCH 1YO 0.009716 0.42578 7.29167
Pocket No.: 2; Query (leader) PDB : 5JJR; Ligand: SAH; Similar sites found: 531
This union binding pocket(no: 2) in the query (biounit: 5jjr.bio1) has 21 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2Z3Y F2N 0.001609 0.45998 1.0574
2 1E5Q NDP 0.01029 0.40689 1.11111
3 5HSA FAS 0.005513 0.43282 1.20664
4 4JNA FAD 0.009671 0.42226 1.34529
5 3PT9 SAH 0.000003332 0.54279 1.37457
6 1SQF SAM 0.000005236 0.53437 1.3986
7 4MOP 2H5 0.004275 0.44685 1.4218
8 5J7X FAD 0.004636 0.43331 1.45719
9 4ITU NAI 0.00862 0.41533 1.48699
10 4ITU 1HS 0.01355 0.41533 1.48699
11 3AYI HCI 0.009488 0.43087 1.52566
12 3AYI FAD 0.009155 0.43087 1.52566
13 1RSG FAD 0.00164 0.45858 1.55039
14 1YY5 FAD 0.003291 0.44625 1.55945
15 5F8F SFG 0.0005844 0.43615 1.59151
16 2R4J FAD 0.01667 0.41827 1.59681
17 2R4J 13P 0.01667 0.41827 1.59681
18 3MJE NDP 0.006424 0.41746 1.6129
19 5X62 SAH 0.0001675 0.46415 1.72414
20 5E72 SAM 0.00001032 0.52926 1.7341
21 1VQW FAD 0.002523 0.43977 1.75055
22 1WG8 SAM 0.000004103 0.55145 1.75439
23 2GV8 FAD 0.001856 0.44712 1.78971
24 2GVC FAD 0.002001 0.44436 1.78971
25 5DNK SAH 0.0001027 0.44331 1.80505
26 1KYQ NAD 0.004864 0.40356 1.82482
27 4DSG FAD 0.03924 0.40464 1.8595
28 4DSG UDP 0.03924 0.40464 1.8595
29 2PT9 S4M 0.0001172 0.48909 1.86916
30 2PT9 2MH 0.00023 0.48872 1.86916
31 3TLJ SAH 0.0000006533 0.52743 1.87668
32 1V59 FAD 0.009809 0.42461 1.88285
33 1V59 NAD 0.001007 0.41723 1.88285
34 3A4V PYR 0.01982 0.40186 1.89274
35 3A4V NAD 0.01982 0.40186 1.89274
36 1KYZ SAH 0.0004327 0.44664 1.91781
37 1KYZ FER 0.03782 0.40483 1.91781
38 4AZT SAM 0.000431 0.45217 1.93322
39 4HA6 FAD 0.004248 0.44007 1.9685
40 4EIP K2C 0.0163 0.41491 2.00364
41 4EIP FAD 0.0163 0.41491 2.00364
42 1EK6 NAI 0.009299 0.4313 2.01149
43 1EK6 UPG 0.02744 0.40979 2.01149
44 1GTE FAD 0.01416 0.42655 2.01794
45 1Y8Q ATP 0.0006254 0.41363 2.02312
46 1NAA 6FA 0.008259 0.42641 2.03327
47 1NAA ABL 0.01173 0.42641 2.03327
48 5U8U FAD 0.03691 0.40833 2.079
49 3H4V DVP 0.01033 0.42091 2.08333
50 3H4V NAP 0.0109 0.41888 2.08333
51 3NT6 FAD 0.004687 0.43309 2.09059
52 3NTA FAD 0.005039 0.43163 2.09059
53 4D7E FAD 0.005647 0.42718 2.0979
54 2C5A GDC 0.02136 0.41375 2.11082
55 2C5A NAD 0.02136 0.41375 2.11082
56 1H82 GZZ 0.007269 0.44144 2.11864
57 1H82 FAD 0.006164 0.44144 2.11864
58 2I7C AAT 0.0002482 0.4872 2.12014
59 1XDS SAM 0.0002813 0.47518 2.13904
60 1QZZ SAM 0.0001731 0.45214 2.13904
61 1UWK NAD 0.005922 0.43505 2.1544
62 1UWK URO 0.005922 0.43505 2.1544
63 5MPT SAH 0.000008605 0.52511 2.17391
64 4D04 NAP 0.02854 0.41274 2.21402
65 4D04 FAD 0.02854 0.41274 2.21402
66 3QVP FAD 0.002854 0.44823 2.22985
67 4TM3 FAD 0.002215 0.47086 2.25734
68 4FWE FAD 0.004436 0.43918 2.26131
69 4YNU FAD 0.003421 0.44546 2.27671
70 4YNU LGC 0.004061 0.44546 2.27671
71 3PFG TLO 0.0491 0.41136 2.28137
72 3PFG SAM 0.0491 0.41136 2.28137
73 1NFQ NAI 0.004468 0.42718 2.30769
74 2ZFU SAH 0.0001067 0.48278 2.32558
75 1G55 SAH 0.000001896 0.55612 2.33236
76 4AZW SAM 0.0006962 0.44536 2.33546
77 3C6K MTA 0.000366 0.48211 2.3622
78 3C6K SPD 0.000366 0.48211 2.3622
79 4AP3 FAD 0.0121 0.4299 2.36794
80 4AP3 NAP 0.0121 0.4299 2.36794
81 3GRU AMP 0.006155 0.40961 2.37288
82 3SSO SAH 0.003107 0.44351 2.38663
83 5JGL SAM 0.000592 0.44144 2.42215
84 2WPF FAD 0.02178 0.43179 2.42424
85 2WPF WPF 0.03516 0.42223 2.42424
86 3X0D SAH 0.0000608 0.49109 2.44275
87 2ZWA SAH 0.0009967 0.44254 2.44604
88 5JAQ NAI 0.003916 0.43778 2.46305
89 1NV8 SAM 0.0001938 0.48456 2.46479
90 1NV8 MEQ 0.0001811 0.48422 2.46479
91 3GU3 SAH 0.00003974 0.46107 2.46479
92 5L53 NAP 0.004923 0.4122 2.46914
93 3NTD FAD 0.004853 0.43239 2.47788
94 4USR FAD 0.00457 0.42796 2.49307
95 1XG5 NAP 0.008581 0.41302 2.50896
96 1KNR FAD 0.01243 0.41527 2.59259
97 2VVL FAD 0.00387 0.44005 2.62626
98 2VVM FAD 0.004805 0.43464 2.62626
99 2YG3 FAD 0.005067 0.43356 2.64901
100 4DCM SAM 0.0002526 0.45078 2.66667
101 3P2E SAH 0.001755 0.42995 2.66667
102 2FR1 NDP 0.0022 0.4412 2.6749
103 4ZCC NAI 0.01326 0.42234 2.67857
104 4ZCC FAD 0.01326 0.42234 2.67857
105 1U7T TDT 0.005611 0.43246 2.68199
106 5JWC FAD 0.005269 0.42746 2.68714
107 2AE2 NAP 0.006585 0.42823 2.69231
108 2AE2 PTO 0.006585 0.42823 2.69231
109 5GM1 SAH 0.00003542 0.50804 2.6936
110 3I53 SAH 0.0003169 0.46225 2.71084
111 5THY SAH 0.000002986 0.55025 2.71605
112 5THZ SAH 0.000007927 0.53659 2.71605
113 3O7W SAM 0.000194 0.45067 2.72109
114 3NKS FAD 0.00559 0.42847 2.72537
115 3GD4 NAD 0.005313 0.45499 2.73973
116 3GD4 FAD 0.003481 0.45499 2.73973
117 5ITV NAI 0.00412 0.42751 2.7451
118 2V6G NAP 0.009335 0.41135 2.74725
119 3VSE SAH 0.00001818 0.47925 2.76382
120 4TXI FAD 0.007682 0.41643 2.76423
121 4KRI SAH 0.00008918 0.48617 2.77136
122 2CFC NAD 0.008514 0.41061 2.8
123 3M6W SAM 0.00008757 0.46878 2.80172
124 1QO8 FAD 0.007312 0.42799 2.82686
125 4REP FAD 0.00122 0.46142 2.82828
126 4BV6 FAD 0.004589 0.43657 2.83976
127 5K7U SAM 0.0007571 0.44166 2.86533
128 4EUE NAI 0.0002536 0.48393 2.87081
129 3TKA SAM 0.009186 0.42597 2.88184
130 3GDH SAH 0.00000003741 0.56212 2.90456
131 2EJU SAH 0.00009102 0.48115 2.91005
132 1D4D FAD 0.005563 0.43453 2.9148
133 4EMI FAD 0.01315 0.41218 2.92683
134 4EMI NAD 0.02767 0.41218 2.92683
135 3G5S FAD 0.01824 0.40455 2.93454
136 5KMS FAD 0.005969 0.42607 2.96296
137 5KMS NAD 0.03131 0.40827 2.96296
138 3T7S SAM 0.00001356 0.51664 2.98507
139 4MO2 FDA 0.002807 0.44236 2.98913
140 4MO2 FAD 0.005036 0.43164 2.98913
141 4YRY FAD 0.00642 0.43066 2.99145
142 4YRY NAD 0.03054 0.40178 2.99145
143 3G2O SAM 0.00002033 0.50909 3.01003
144 1H5Q NAP 0.003602 0.43016 3.01887
145 3FPF MTA 0.0006899 0.47297 3.02013
146 3FPF TNA 0.0006899 0.47297 3.02013
147 3X01 AMP 0.02453 0.40397 3.05344
148 1G60 SAM 0.00001829 0.51362 3.07692
149 3NDJ JHZ 0.02561 0.40548 3.125
150 3NDJ SAH 0.02561 0.40548 3.125
151 4J36 1HR 0.01597 0.41282 3.13253
152 4J36 FAD 0.01171 0.40921 3.13253
153 1KPG SAH 0.0008033 0.44664 3.13589
154 1L1E SAH 0.0008566 0.44349 3.13589
155 3DUW SAH 0.0009116 0.4403 3.13901
156 1COY FAD 0.004999 0.43482 3.15582
157 1COY AND 0.008721 0.43482 3.15582
158 5E9W SAH 0.00001503 0.48476 3.20513
159 2YY7 NAD 0.01255 0.40548 3.20513
160 3G89 SAM 0.0000665 0.46703 3.21285
161 4KRG SAH 0.00001035 0.5143 3.21888
162 2XVF FAD 0.004269 0.43391 3.23276
163 4MIG G3F 0.003181 0.45053 3.24074
164 4FC7 COA 0.003974 0.44048 3.2491
165 4FC7 NAP 0.003974 0.44048 3.2491
166 2VDV SAM 0.000006553 0.55012 3.25203
167 1MXH DHF 0.009634 0.4185 3.26087
168 1MXH NAP 0.01474 0.40986 3.26087
169 1XHC FAD 0.006488 0.42439 3.26975
170 3OZ2 FAD 0.0147 0.41183 3.27456
171 5CG1 NAD BBN 0.03554 0.40739 3.27869
172 4DMG SAM 0.0001041 0.50105 3.30789
173 5E1M PRO PRO LYS ARG ILE ALA 0.00008635 0.50823 3.3195
174 5E1M SAH 0.00008635 0.50823 3.3195
175 4YMH SAH 0.0001524 0.47606 3.33333
176 5IL1 SAM 0.0007664 0.44144 3.33333
177 3CGD FAD 0.01203 0.43881 3.33333
178 3CGD COA 0.01203 0.43881 3.33333
179 3CGD NAD 0.01203 0.43881 3.33333
180 3CGB FAD 0.006913 0.42418 3.33333
181 5DM1 5D7 0.000203 0.49774 3.37079
182 5DM1 SAH 0.0001909 0.49774 3.37079
183 1ZMD NAI 0.0041 0.42056 3.37553
184 1ZMD FAD 0.01107 0.41949 3.37553
185 5DLY 5D7 0.001635 0.45549 3.38346
186 5DLY SAH 0.001462 0.45549 3.38346
187 2V3A FAD 0.01896 0.40474 3.38542
188 3F8D FAD 0.02706 0.41787 3.40557
189 3DMH GMP 0.00005202 0.50848 3.41207
190 3DMH SAM 0.00003254 0.50519 3.41207
191 2BRY FAD 0.007593 0.41785 3.42052
192 2A14 SAH 0.002927 0.42209 3.42205
193 1NW5 SAM 0.00001771 0.51422 3.44828
194 2XVE FAD 0.007535 0.44 3.44828
195 1OC2 TDX 0.01142 0.4284 3.44828
196 1OC2 NAD 0.01142 0.4284 3.44828
197 4BLW AMP 0.0002416 0.48774 3.46021
198 4BLW SAH 0.0001623 0.48461 3.46021
199 1Q0S SAH 0.000005025 0.54757 3.4749
200 1KPH SAH 0.0008152 0.44636 3.48432
201 3UCL CYH 0.006121 0.44708 3.4904
202 3UCL NAP 0.006679 0.44708 3.4904
203 3UCL FAD 0.006121 0.44708 3.4904
204 4OBW SAM 0.001167 0.43359 3.50195
205 4J56 FAD 0.02096 0.40804 3.51201
206 5F2K OCA 0.000908 0.45871 3.53261
207 5F2K SAH 0.000908 0.45871 3.53261
208 2WSB NAD 0.009412 0.42094 3.54331
209 2Q46 NAP 0.01054 0.40642 3.55731
210 2YX1 SFG 0.000001946 0.52696 3.57143
211 3P9C SAH 0.01389 0.43126 3.57143
212 4NTC FAD 0.02561 0.40133 3.58209
213 4YUW 4JU 0.004896 0.46783 3.61842
214 4YUW S4M 0.0048 0.46783 3.61842
215 2RGO FAD 0.02202 0.40072 3.62438
216 3KLJ FAD 0.01065 0.4111 3.63636
217 1BXK NAD 0.001341 0.44678 3.66197
218 1AE1 NAP 0.009825 0.41272 3.663
219 1QAN SAH 0.000004922 0.5433 3.68852
220 1IM8 SAI 0.00001032 0.52685 3.68852
221 3FUU ADN 0.001953 0.42601 3.69004
222 1E1M FAD 0.008378 0.43349 3.69565
223 1E1M NAP 0.008378 0.43349 3.69565
224 3OFK SAH 0.004063 0.41399 3.7037
225 3ICT FAD 0.003645 0.4371 3.7415
226 3ICR FAD 0.00378 0.43636 3.7415
227 3ICS FAD 0.00436 0.43456 3.7415
228 1ORR NAD 0.006446 0.42111 3.7464
229 3QOX SAH 0.00001354 0.52638 3.75587
230 4RPL 3UC 0.001114 0.48496 3.7594
231 4RPL FAD 0.001027 0.4846 3.7594
232 4IV9 FAD 0.004448 0.43621 3.7702
233 1O97 FAD 0.006243 0.44117 3.78788
234 1O97 AMP 0.006243 0.44117 3.78788
235 1XCL SAH 0.001014 0.45652 3.82979
236 1QG6 TCL 0.02761 0.40148 3.83142
237 1QG6 NAD 0.02761 0.40148 3.83142
238 2DPM SAM 0.00006387 0.49468 3.87324
239 5XVK SAH 0.001101 0.44248 3.87324
240 4R6W PC 0.001236 0.47282 3.87597
241 4R6W SAH 0.0005257 0.46951 3.87597
242 4J1Q NDP 0.004476 0.42181 3.87931
243 2A8X FAD 0.01224 0.41831 3.87931
244 2JB2 PHE 0.001271 0.46169 3.88548
245 2JB2 FAD 0.001204 0.46169 3.88548
246 2Q1W NAD 0.003297 0.43444 3.9039
247 2WET FAD 0.007979 0.42527 3.91389
248 3LCV SAM 0.001298 0.43934 3.91459
249 4IWN GEK 0.00004798 0.50225 3.93013
250 3A27 SAM 0.00006088 0.48865 4.04412
251 3HVJ 705 0.00006176 0.51918 4.0724
252 3ABI NAD 0.01128 0.40637 4.10959
253 1KEW NAD 0.007754 0.43359 4.15512
254 1KEW TYD 0.02572 0.40766 4.15512
255 2Q0L FAD 0.004245 0.43816 4.18006
256 3GDN FAD 0.001592 0.4592 4.22265
257 3GDN HBX 0.002277 0.4592 4.22265
258 2X3N FAD 0.01858 0.40418 4.26065
259 2Y6Q FAD 0.002416 0.43935 4.27136
260 2Y6Q I7T 0.005019 0.43935 4.27136
261 1GY8 NAD 0.001402 0.44876 4.28212
262 3IHG FAD 0.01014 0.40718 4.29907
263 4PNE SAH 0.00003457 0.5085 4.30464
264 1W8D NAP 0.002511 0.42841 4.30464
265 1W73 NAP 0.004992 0.41521 4.30464
266 3LST SAH 0.01828 0.40247 4.31034
267 3CV2 OXL 0.02387 0.40347 4.32331
268 5FA8 SAM 0.00006214 0.49732 4.34783
269 1WMA AB3 0.02708 0.40189 4.34783
270 1WMA NDP 0.02708 0.40189 4.34783
271 1I8T FAD 0.003918 0.43777 4.35967
272 1JQD SAH 0.002384 0.43693 4.45205
273 2AOT SAH 0.0006724 0.43312 4.45205
274 1JQD HSM 0.003205 0.42685 4.45205
275 1IY8 NAD 0.00937 0.41128 4.49438
276 1N5D NDP 0.01574 0.401 4.51389
277 4C3Y FAD 0.01226 0.41647 4.5283
278 4C3Y ANB 0.02212 0.40853 4.5283
279 4Y2H SAH 0.0001463 0.50437 4.54545
280 4Y2H 49K 0.0002074 0.49731 4.54545
281 4X9M FAD 0.006915 0.42723 4.54545
282 1ZEM NAD 0.003052 0.42779 4.58015
283 1ZBQ NAD 0.01053 0.41018 4.58716
284 2O07 SPD 0.0007799 0.45887 4.60526
285 2O07 MTA 0.0006671 0.45887 4.60526
286 3JWH SAH 0.00003116 0.47369 4.60829
287 3WGT QSC 0.005427 0.43942 4.61095
288 3WGT FAD 0.005212 0.43942 4.61095
289 4E70 N7I 0.00104 0.45321 4.63918
290 1N2X SAM 0.000002114 0.5618 4.65116
291 5TTJ FAD 0.003884 0.43795 4.69388
292 1Z3C SA8 0.00002664 0.5251 4.69799
293 5LOG SAH 0.0002121 0.46765 4.72103
294 1DL5 SAH 0.000001424 0.57629 4.73186
295 1BZL FAD 0.01899 0.43529 4.73251
296 3FRH SAH 0.0009827 0.44465 4.74308
297 4KIB SAH 0.00002144 0.50057 4.7619
298 5MZI FAD 0.02236 0.41612 4.77223
299 5MZI FYK 0.02304 0.41612 4.77223
300 5MW4 5JU 0.000007762 0.56525 4.79042
301 1RJD SAM 0.0009919 0.44072 4.79042
302 3QWI CUE 0.02088 0.40554 4.81482
303 3QWI NAP 0.01329 0.40554 4.81482
304 1FEC FAD 0.03115 0.40137 4.89796
305 2XYQ SAH 0.0001013 0.47916 4.91803
306 2Q7V FAD 0.003262 0.44353 4.92308
307 1N4W FAD 0.004325 0.4397 4.96032
308 2PK3 A2R 0.006827 0.40249 4.98442
309 3AB1 FAD 0.01329 0.41389 5
310 2FK8 SAM 0.001387 0.43439 5.03145
311 2PWY SAH 0.0008304 0.47935 5.03876
312 4M73 M72 0.00004031 0.52776 5.04451
313 4M73 SAH 0.00005168 0.52137 5.04451
314 4XUC 43G 0.0002579 0.48644 5.04587
315 4XUC SAM 0.0002579 0.48644 5.04587
316 4A6D SAM 0.01619 0.41254 5.09915
317 5JCM FAD 0.004403 0.45348 5.09978
318 5JCM NAD 0.004541 0.45348 5.09978
319 5JCM ISD 0.004541 0.45348 5.09978
320 1JG3 ADN 0.000406 0.45328 5.10638
321 2EG5 SAH 0.00001229 0.49492 5.10753
322 4CNK FAD 0.004271 0.43498 5.11509
323 3UOY NAP 0.02907 0.41466 5.13761
324 3UOY FAD 0.02907 0.41466 5.13761
325 4LWP SAH 0.0000484 0.49292 5.16304
326 3TKY SAH 0.0001104 0.4799 5.16304
327 3JQF NAP 0.005262 0.42138 5.20833
328 3BMQ NAP 0.005953 0.41895 5.20833
329 3BMN NAP 0.006807 0.41632 5.20833
330 4CLR NAP 0.006569 0.4157 5.20833
331 4CM9 NAP 0.00747 0.41449 5.20833
332 4CLO NAP 0.006647 0.4141 5.20833
333 4CM8 NAP 0.00714 0.41407 5.20833
334 4CME NAP 0.00719 0.41393 5.20833
335 5K6A NAP 0.007941 0.41329 5.20833
336 5JDI NAP 0.007575 0.41291 5.20833
337 3JQ8 NAP 0.008336 0.41233 5.20833
338 5JDC NAP 0.008048 0.41172 5.20833
339 3BMO NAP 0.008376 0.41093 5.20833
340 3JQ9 NAP 0.009152 0.41049 5.20833
341 3JQB NAP 0.01229 0.4021 5.20833
342 3JQA NAP 0.01235 0.402 5.20833
343 1TPY SAH 0.0009543 0.44337 5.22648
344 5JE0 SAH 0.000005235 0.55885 5.26316
345 5JE0 AZ8 0.000005235 0.55885 5.26316
346 4TQG NDP 0.001354 0.44659 5.26316
347 3NUG NAD 0.002328 0.43877 5.26316
348 1ZQ9 SAM 0.001061 0.43538 5.26316
349 5KOK SAH 0.000002103 0.55418 5.28967
350 5KOK S9T 0.00009015 0.50737 5.28967
351 5KOK R9T 0.00008368 0.50737 5.28967
352 4NEC SAH 0.000004561 0.52005 5.30303
353 1I1N SAH 0.00000404 0.55817 5.30973
354 4CQM NAP 0.007408 0.41465 5.32787
355 1Q9I FAD 0.01398 0.42482 5.38117
356 1Q9I TEO 0.01398 0.42482 5.38117
357 2JHP SAH 0.0001119 0.47046 5.43478
358 5G3U FDA 0.00554 0.42971 5.43735
359 5FTW SAH 0.000277 0.46479 5.46875
360 1E6E FAD 0.004296 0.43268 5.46875
361 3A4T SFG 0.000001844 0.56193 5.47445
362 2UYQ SAM 0.0002162 0.40042 5.48387
363 3MB5 SAM 0.03483 0.42625 5.4902
364 4XF6 LIP 0.01747 0.40232 5.49451
365 4XF6 INS 0.01747 0.40232 5.49451
366 3RJ5 NAD 0.01994 0.40371 5.51181
367 3LCC SAH 0.00002232 0.5004 5.53191
368 3HDY FAD 0.003183 0.45904 5.54156
369 3HDY FDA 0.003224 0.45877 5.54156
370 3HDY GDU 0.003331 0.45877 5.54156
371 3GMB FAD 0.01258 0.40891 5.54217
372 2WD7 NAP 0.008832 0.40989 5.59701
373 2VZ0 D64 0.04453 0.40945 5.59701
374 2VZ0 NAP 0.04453 0.40945 5.59701
375 3Q87 SAM 0.0001889 0.47611 5.6
376 4EMJ FAD 0.01867 0.40601 5.60748
377 4X8O AP5 0.02693 0.40115 5.60748
378 5GWX SAR 0.003883 0.42312 5.6338
379 5GWX SAM 0.003883 0.42312 5.6338
380 4HSU FAD 0.003868 0.44293 5.64516
381 4GUS FAD 0.004136 0.44155 5.64516
382 4GUT FAD 0.004643 0.44096 5.64516
383 4D42 NAP 0.02474 0.40848 5.67376
384 4D42 W0I 0.02474 0.40848 5.67376
385 1LSS NAD 0.0006332 0.44919 5.71429
386 1VE3 SAM 0.0001017 0.47908 5.72687
387 1L3I SAH 0.0009268 0.48219 5.72917
388 1JQ3 AAT 0.0004824 0.47261 5.74324
389 3VC1 SAH 0.0001256 0.50871 5.76923
390 3VC1 GST 0.0001256 0.50871 5.76923
391 1WY7 SAH 0.000004587 0.54464 5.7971
392 4Z24 FAD 0.003035 0.446 5.82822
393 4NBW NAD 0.006001 0.4161 5.83658
394 4X7Y SAH 0.02408 0.4026 5.83942
395 3VYW SAM 0.00003565 0.48157 5.84416
396 3BXO SAM 0.00006743 0.46771 5.85774
397 1W6U NAP 0.007022 0.40866 5.96026
398 1GET NAP 0.02725 0.41662 6
399 1GET FAD 0.02587 0.41662 6
400 3LAD FAD 0.01585 0.41211 6.09244
401 4HXY NDP 0.0006384 0.46426 6.16438
402 2OBF SAH 0.003571 0.44268 6.22837
403 2OBF F83 0.003571 0.44268 6.22837
404 5THQ NDP 0.002541 0.43568 6.25
405 5J60 FAD 0.004656 0.43528 6.25
406 3S5W FAD 0.001033 0.45477 6.2635
407 2HNK SAH 0.0002427 0.46728 6.27615
408 4FN4 NAD 0.005703 0.4198 6.29921
409 4IEE AGS 0.01446 0.40827 6.32653
410 5BQ5 ADP BEF 0.003401 0.42547 6.34921
411 4O1M NAD 0.01303 0.40353 6.34921
412 2JJQ SAH 0.000001472 0.52987 6.35294
413 2PZM UDP 0.0121 0.41854 6.36364
414 2PZM NAD 0.0121 0.41854 6.36364
415 5BW4 SAM 0.0003144 0.45253 6.36704
416 5EB4 FAD 0.001929 0.45321 6.39098
417 3MQ2 SAH 0.0004379 0.4464 6.42202
418 1FP1 SAH 0.004264 0.43393 6.45161
419 2WYV NAD 0.01394 0.40219 6.51341
420 2BD0 NAP 0.007555 0.41676 6.55738
421 5L4S NAP 0.01551 0.40783 6.60377
422 5L4S 6KX 0.01551 0.40783 6.60377
423 2CDU FAD 0.004188 0.43319 6.63717
424 4NBT NAD 0.004839 0.42169 6.66667
425 4ONQ SFG 0.00001091 0.52069 6.72269
426 3C3Y SAH 0.00009262 0.48319 6.75105
427 1F3L SAH 0.00007048 0.49281 6.85358
428 3H2B SAH 0.00004346 0.49738 6.89655
429 3RNM FAD 0.01372 0.41596 6.89655
430 4O0L NDP 0.004126 0.42748 6.90909
431 1U2Z SAH 0.0001101 0.4864 6.92841
432 4C4A SAH 0.000006796 0.53218 6.93642
433 2XVM SAH 0.00001872 0.48852 7.03518
434 1YQZ FAD 0.00535 0.4466 7.07763
435 1XTP SAI 0.00001485 0.51494 7.08661
436 1XSE NDP 0.01572 0.41046 7.11864
437 4PIO AVI 0.001318 0.45266 7.12074
438 4PIO SAH 0.001433 0.45228 7.12074
439 1I9G SAM 0.01566 0.44131 7.14286
440 2E5V FAD 0.008737 0.42525 7.20339
441 3ZNN 4WL 0.005724 0.44374 7.20461
442 3ZNN FAD 0.005724 0.44374 7.20461
443 3LXD FAD 0.01397 0.40789 7.22892
444 2AG5 NAD 0.01078 0.40727 7.31707
445 1GPE FAD 0.003416 0.44641 7.32538
446 3DXY SAM 0.002163 0.40493 7.33945
447 1PR9 NAP 0.005494 0.42429 7.37705
448 3D3W NAP 0.006813 0.42001 7.37705
449 5BR7 FAD 0.002545 0.46381 7.37913
450 5BR7 FLC 0.005507 0.44736 7.37913
451 2PXX SAH 0.000007182 0.53115 7.44186
452 5MBX FAD 0.006904 0.43831 7.44467
453 5MBX SP5 0.006904 0.43831 7.44467
454 1EFV AMP 0.003881 0.45195 7.45098
455 1EFV FAD 0.003881 0.45195 7.45098
456 4M52 FAD 0.01737 0.41021 7.51073
457 3L9W AMP 0.0003679 0.47511 7.74818
458 3L9W GSH 0.001303 0.44735 7.74818
459 3EGV SAH 0.0002486 0.46724 7.87402
460 2NXE SAM 0.0002101 0.46556 7.87402
461 1R18 SAH 0.004369 0.44309 7.92952
462 1FP2 SAH 0.007268 0.42101 7.95455
463 4CVN ADP 0.018 0.40786 8.0292
464 2GAG NAD 0.002962 0.44128 8.08081
465 2GAG FAD 0.007706 0.42961 8.08081
466 2GAG FOA 0.0078 0.42935 8.08081
467 1BC5 SAH 0.007303 0.40633 8.17844
468 3OU2 SAH 0.00002619 0.45758 8.25688
469 5M58 SAH 0.0002712 0.46305 8.26087
470 3NYC IAR 0.02562 0.40848 8.39895
471 3NYC FAD 0.02562 0.40848 8.39895
472 4N49 SAM 0.000000006322 0.66641 8.41121
473 1ELI PYC 0.009808 0.41814 8.48329
474 4YSX FAD 0.008923 0.42203 8.51064
475 3QFA FAD 0.02724 0.40092 8.62069
476 3GWZ SAH 0.0004945 0.43475 8.67209
477 3GXO SAH 0.001136 0.426 8.67209
478 3O26 NDP 0.0116 0.40582 8.68167
479 5L95 AMP 0.00309 0.41739 8.75
480 1EJ0 SAM 0.0000002422 0.59165 8.88889
481 3OJF NDP 0.01212 0.41074 8.94942
482 3OJF IMJ 0.02542 0.40148 8.94942
483 5KVA SAM 0.00005159 0.49873 8.99281
484 5HJM MTA 0.000006179 0.52057 9.09091
485 5XVQ SAH 0.0003581 0.42903 9.15493
486 4QED NAP 0.01398 0.40213 9.27419
487 2CBZ ATP 0.0189 0.41714 9.2827
488 5EOW FAD 0.008064 0.41781 9.62963
489 4F8L AES 0.02227 0.40338 9.65517
490 5K8V 6RE 0.00006315 0.53696 9.69529
491 2JAH NDP 0.008316 0.41364 9.7166
492 3CTY FAD 0.00547 0.43579 9.71787
493 2B4Q NAP 0.01149 0.40601 9.78261
494 5JCA FAD 0.005051 0.43557 9.85915
495 5JCA NDP 0.01112 0.43236 9.85915
496 5DX1 SFG 0.000008274 0.54016 10.0287
497 5DX8 SFG 0.00002993 0.51125 10.0287
498 5DWQ SFG 0.00003803 0.50877 10.0287
499 5DXA SFG 0.00003508 0.50822 10.0287
500 5DX0 SFG 0.00004858 0.50605 10.0287
501 5MGZ SAH 0.00008374 0.48509 10.1695
502 5GT9 NAP 0.01299 0.40481 10.2662
503 3A25 SAM 0.000922 0.43799 10.299
504 2BZG SAH 0.0005832 0.44653 10.3448
505 2IID PHE 0.008695 0.43345 10.4418
506 2IID FAD 0.008695 0.43345 10.4418
507 4FZV SAM 0.0000005387 0.58256 10.8787
508 4OHU NAD 0.01957 0.41699 11.0727
509 4OHU 2TK 0.01957 0.41699 11.0727
510 4QTU SAM 0.000001391 0.54718 11.1111
511 2CUL FAD 0.004715 0.42969 11.2069
512 5E8J SAH 0.000008143 0.50289 11.3636
513 3AY6 BGC 0.02543 0.4079 11.5242
514 1P1C SAH 0.0003701 0.46328 11.5578
515 4NBU NAI 0.004104 0.42759 11.6
516 3OID NDP 0.01455 0.40488 12.0155
517 3AD8 NAD 0.002981 0.43767 12.1212
518 3AD8 FAD 0.01553 0.42767 12.1212
519 3AD8 PYC 0.01553 0.42767 12.1212
520 2V3B FAD 0.01786 0.40498 12.7273
521 1O5I NAD 0.00779 0.4 13.6546
522 4ZRN NAD 0.002334 0.44255 13.7821
523 4ZRN UPG 0.005125 0.44062 13.7821
524 3BGD SAH 0.0004467 0.45969 14.6154
525 3BGD PM6 0.0006555 0.4592 14.6154
526 2F5Z FAD 0.01024 0.42199 15.625
527 4II2 ATP 0.0012 0.43713 15.6627
528 5N5D SAM 0.001064 0.43741 19.9115
529 4GQB 0XU 0.02218 0.43802 22.7273
530 4M38 SAH 0.00005891 0.49399 23.8095
531 5FA5 MTA 0.00008231 0.4705 25
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