REMARK This residue is converted from PDB Protein Databank automatically.The original name of this chemical component in PDB is = (1R,2R,3R,5Z)-17-{(1S)-1-[(2-ethyl-2-hydroxybutyl)sulfanyl]ethyl}-2-(2-hydroxyethoxy)-9,10-secoestra-5,7,16-triene-1,3-diol RESIDUE VDA 31 95 1 95 1 PHI1 0 0 0.0000 2 1 3 26 0 2 CHI1 0 0 0.0000 1 3 4 5 24 3 CHI2 0 0 0.0000 3 4 5 6 12 4 CHI3 0 0 0.0000 4 5 6 7 9 5 CHI4 0 0 0.0000 4 5 10 11 11 6 CHI5 0 0 0.0000 3 4 13 14 23 7 CHI6 0 0 0.0000 4 13 14 15 23 8 CHI7 0 0 0.0000 13 14 15 16 20 9 CHI8 0 0 0.0000 14 15 16 17 17 10 PHI2 0 0 0.0000 1 3 26 30 0 11 PHI3 0 0 0.0000 3 26 30 31 0 12 PHI4 0 0 0.0000 30 31 33 35 0 13 CHI9 0 0 0.0000 33 35 36 37 47 14 CHI10 0 0 0.0000 35 36 37 38 44 15 CHI11 0 0 0.0000 36 37 38 39 41 16 PHI5 0 0 0.0000 33 35 48 56 0 17 CHI12 0 0 0.0000 35 48 49 50 54 18 CHI13 0 0 0.0000 48 49 50 51 51 19 PHI6 0 0 0.0000 35 48 56 62 0 20 CHI14 0 0 0.0000 48 56 57 58 61 21 PHI7 0 0 0.0000 48 56 62 63 0 22 PHI8 0 0 0.0000 56 62 63 70 0 23 CHI15 0 0 0.0000 62 63 64 65 68 24 PHI9 0 0 0.0000 62 63 70 71 0 25 PHI10 0 0 0.0000 63 70 71 75 0 26 PHI11 0 0 0.0000 70 71 75 87 0 27 CHI16 0 0 0.0000 71 75 76 77 77 28 CHI17 0 0 0.0000 71 75 78 79 86 29 CHI18 0 0 0.0000 75 78 79 80 83 30 PHI12 0 0 0.0000 71 75 87 91 0 31 PHI13 0 0 0.0000 75 87 91 94 0 1 O2 O_HYD 0 0.0000 6.5110 1.4670 0.7180 2 3 0 0 0 2 HO2 H_OXY 0 0.0000 6.5170 2.4340 0.7260 1 0 0 0 0 3 C3 C_ALI 0 0.0000 6.5000 0.8970 -0.5920 1 4 25 26 0 4 C2 C_ALI 0 0.0000 6.4900 -0.6280 -0.4850 3 5 13 24 0 5 C1 C_ALI 0 0.0000 5.2930 -1.0820 0.3520 4 6 10 12 0 6 C10 C_ALI 0 0.0000 3.9950 -0.6900 -0.3620 5 7 8 30 0 7 H10 H_ALI 0 0.0000 3.9130 -1.2400 -1.2990 6 0 0 0 9 8 H10A H_ALI 0 0.0000 3.1420 -0.9200 0.2770 6 0 0 0 9 9 Q1 PSEUD 0 0.0000 3.5275 -1.0800 -0.5110 0 0 0 0 0 10 O1 O_HYD 0 0.0000 5.3370 -2.5000 0.5180 5 11 0 0 0 11 HO1 H_OXY 0 0.0000 4.6060 -2.8580 1.0400 10 0 0 0 0 12 H1 H_ALI 0 0.0000 5.3300 -0.6000 1.3290 5 0 0 0 0 13 O4 O_EST 0 0.0000 7.6990 -1.0690 0.1370 4 14 0 0 0 14 C30 C_ALI 0 0.0000 8.7640 -1.3260 -0.7800 13 15 21 22 0 15 C31 C_ALI 0 0.0000 10.0010 -1.7890 -0.0070 14 16 18 19 0 16 O5 O_HYD 0 0.0000 9.7290 -3.0450 0.6190 15 17 0 0 0 17 HO5 H_OXY 0 0.0000 10.4720 -3.3990 1.1280 16 0 0 0 0 18 H31 H_ALI 0 0.0000 10.8390 -1.9000 -0.6960 15 0 0 0 20 19 H31A H_ALI 0 0.0000 10.2520 -1.0500 0.7540 15 0 0 0 20 20 Q2 PSEUD 0 0.0000 10.5455 -1.4750 0.0290 0 0 0 0 0 21 H30 H_ALI 0 0.0000 8.4610 -2.1050 -1.4800 14 0 0 0 23 22 H30A H_ALI 0 0.0000 8.9990 -0.4150 -1.3290 14 0 0 0 23 23 Q3 PSEUD 0 0.0000 8.7300 -1.2600 -1.4045 0 0 0 0 0 24 H2 H_ALI 0 0.0000 6.4190 -1.0610 -1.4830 4 0 0 0 0 25 H3 H_ALI 0 0.0000 7.3890 1.2180 -1.1350 3 0 0 0 0 26 C4 C_ALI 0 0.0000 5.2470 1.3630 -1.3420 3 27 28 30 0 27 H4 H_ALI 0 0.0000 5.1990 2.4520 -1.3330 26 0 0 0 29 28 H4A H_ALI 0 0.0000 5.2810 1.0030 -2.3710 26 0 0 0 29 29 Q4 PSEUD 0 0.0000 5.2400 1.7275 -1.8520 0 0 0 0 0 30 C5 C_BYL 0 0.0000 4.0310 0.7950 -0.6450 6 26 31 0 0 31 C6 C_BYL 0 0.0000 3.0200 1.5810 -0.2910 30 32 33 0 0 32 H6 H_ALI 0 0.0000 3.1000 2.6510 -0.4110 31 0 0 0 0 33 C7 C_BYL 0 0.0000 1.7910 0.9930 0.2660 31 34 35 0 0 34 H7 H_ALI 0 0.0000 1.7410 -0.0670 0.4630 33 0 0 0 0 35 C8 C_BYL 0 0.0000 0.7430 1.7680 0.5250 33 36 48 0 0 36 C9 C_ALI 0 0.0000 0.7420 3.2710 0.2710 35 37 45 46 0 37 C11 C_ALI 0 0.0000 -0.4750 3.6870 -0.5520 36 38 42 43 0 38 C12 C_ALI 0 0.0000 -1.7800 3.0860 0.0010 37 39 40 56 0 39 H12 H_ALI 0 0.0000 -1.9590 3.4540 1.0110 38 0 0 0 41 40 H12A H_ALI 0 0.0000 -2.6150 3.3550 -0.6460 38 0 0 0 41 41 Q5 PSEUD 0 0.0000 -2.2870 3.4045 0.1825 0 0 0 0 0 42 H11 H_ALI 0 0.0000 -0.5540 4.7740 -0.5420 37 0 0 0 44 43 H11A H_ALI 0 0.0000 -0.3380 3.3530 -1.5800 37 0 0 0 44 44 Q6 PSEUD 0 0.0000 -0.4460 4.0635 -1.0610 0 0 0 0 0 45 H9 H_ALI 0 0.0000 0.7240 3.7950 1.2270 36 0 0 0 47 46 H9A H_ALI 0 0.0000 1.6490 3.5430 -0.2680 36 0 0 0 47 47 Q7 PSEUD 0 0.0000 1.1865 3.6690 0.4795 0 0 0 0 0 48 C14 C_ALI 0 0.0000 -0.5440 1.2350 1.0870 35 49 55 56 0 49 C15 C_ALI 0 0.0000 -0.7410 -0.2830 1.0820 48 50 52 53 0 50 C16 C_BYL 0 0.0000 -2.2460 -0.4190 0.8700 49 51 62 0 0 51 H16 H_ALI 0 0.0000 -2.8330 -1.2800 1.1540 50 0 0 0 0 52 H15 H_ALI 0 0.0000 -0.1910 -0.7420 0.2610 49 0 0 0 54 53 H15A H_ALI 0 0.0000 -0.4440 -0.7140 2.0380 49 0 0 0 54 54 Q8 PSEUD 0 0.0000 -0.3175 -0.7280 1.1495 0 0 0 0 0 55 H14 H_ALI 0 0.0000 -0.7700 1.6790 2.0560 48 0 0 0 0 56 C13 C_ALI 0 0.0000 -1.6130 1.5950 0.0240 38 48 57 62 0 57 C18 C_ALI 0 0.0000 -1.0290 1.1840 -1.3290 56 58 59 60 0 58 H18 H_ALI 0 0.0000 -0.0610 1.6660 -1.4690 57 0 0 0 61 59 H18A H_ALI 0 0.0000 -0.9030 0.1020 -1.3570 57 0 0 0 61 60 H18B H_ALI 0 0.0000 -1.7060 1.4920 -2.1260 57 0 0 0 61 61 Q9 PSEUD 0 0.0000 -0.8900 1.0867 -1.6507 0 0 0 0 0 62 C17 C_BYL 0 0.0000 -2.7300 0.6650 0.3010 50 56 63 0 0 63 C20 C_ALI 0 0.0000 -4.1810 0.9110 -0.0270 62 64 69 70 0 64 C21 C_ALI 0 0.0000 -4.7310 2.0100 0.8850 63 65 66 67 0 65 H21 H_ALI 0 0.0000 -4.6420 1.6960 1.9260 64 0 0 0 68 66 H21A H_ALI 0 0.0000 -4.1630 2.9270 0.7320 64 0 0 0 68 67 H21B H_ALI 0 0.0000 -5.7800 2.1870 0.6480 64 0 0 0 68 68 Q10 PSEUD 0 0.0000 -4.8617 2.2700 1.1020 0 0 0 0 0 69 H20 H_ALI 0 0.0000 -4.2700 1.2240 -1.0670 63 0 0 0 0 70 S22 S_RED 0 0.0000 -5.1260 -0.6160 0.2280 63 71 0 0 0 71 C23 C_ALI 0 0.0000 -6.7850 -0.1720 -0.3550 70 72 73 75 0 72 H23 H_ALI 0 0.0000 -7.1670 0.6610 0.2360 71 0 0 0 74 73 H23A H_ALI 0 0.0000 -6.7350 0.1200 -1.4040 71 0 0 0 74 74 Q11 PSEUD 0 0.0000 -6.9510 0.3905 -0.5840 0 0 0 0 0 75 C25 C_ALI 0 0.0000 -7.7180 -1.3750 -0.2040 71 76 78 87 0 76 O3 O_HYD 0 0.0000 -7.8750 -1.6850 1.1820 75 77 0 0 0 77 HO3 H_OXY 0 0.0000 -8.2510 -0.9640 1.7060 76 0 0 0 0 78 C26 C_ALI 0 0.0000 -9.0830 -1.0410 -0.8090 75 79 84 85 0 79 C29 C_ALI 0 0.0000 -9.6500 0.2080 -0.1310 78 80 81 82 0 80 H29 H_ALI 0 0.0000 -9.6770 0.0540 0.9480 79 0 0 0 83 81 H29A H_ALI 0 0.0000 -9.0170 1.0650 -0.3600 79 0 0 0 83 82 H29B H_ALI 0 0.0000 -10.6600 0.3930 -0.4980 79 0 0 0 83 83 Q12 PSEUD 0 0.0000 -9.7847 0.5040 0.0300 0 0 0 0 0 84 H26 H_ALI 0 0.0000 -8.9700 -0.8550 -1.8780 78 0 0 0 86 85 H26A H_ALI 0 0.0000 -9.7630 -1.8790 -0.6560 78 0 0 0 86 86 Q13 PSEUD 0 0.0000 -9.3665 -1.3670 -1.2670 0 0 0 0 0 87 C27 C_ALI 0 0.0000 -7.1180 -2.5800 -0.9310 75 88 89 91 0 88 H27 H_ALI 0 0.0000 -6.9970 -2.3430 -1.9880 87 0 0 0 90 89 H27A H_ALI 0 0.0000 -6.1460 -2.8180 -0.4990 87 0 0 0 90 90 Q14 PSEUD 0 0.0000 -6.5715 -2.5805 -1.2435 0 0 0 0 0 91 C28 C_ALI 0 0.0000 -8.0520 -3.7830 -0.7820 87 92 93 94 0 92 H28 H_ALI 0 0.0000 -8.2460 -3.9620 0.2760 91 0 0 0 95 93 H28A H_ALI 0 0.0000 -8.9920 -3.5780 -1.2940 91 0 0 0 95 94 H28B H_ALI 0 0.0000 -7.5830 -4.6630 -1.2200 91 0 0 0 95 95 Q15 PSEUD 0 0.0000 -8.2737 -4.0677 -0.7460 0 0 0 0 0