REMARK This residue is converted from PDB Protein Databank automatically.The original name of this chemical component in PDB is = 8-DEETHYL-8-[BUT-3-ENYL]-ASCOMYCIN RESIDUE FK5 49 147 1 147 1 CHI1 0 0 0.0000 103 1 2 3 102 2 CHI2 0 0 0.0000 1 2 3 4 10 3 CHI3 0 0 0.0000 2 3 4 5 7 4 CHI4 0 0 0.0000 1 2 11 12 101 5 CHI5 0 0 0.0000 2 11 12 13 19 6 CHI6 0 0 0.0000 11 12 13 14 16 7 CHI7 0 0 0.0000 2 11 20 21 101 8 CHI8 0 0 0.0000 11 20 21 22 100 9 CHI9 0 0 0.0000 20 21 22 23 99 10 CHI10 0 0 0.0000 21 22 23 24 33 11 CHI11 0 0 0.0000 22 23 24 25 27 12 CHI12 0 0 0.0000 22 23 28 29 32 13 CHI13 0 0 0.0000 21 22 34 35 97 14 CHI14 0 0 0.0000 22 34 35 36 97 15 CHI15 0 0 0.0000 34 35 36 37 43 16 CHI16 0 0 0.0000 35 36 37 38 42 17 CHI17 0 0 0.0000 36 37 38 39 42 18 CHI18 0 0 0.0000 34 35 44 45 96 19 CHI19 0 0 0.0000 35 44 45 46 89 20 CHI20 0 0 0.0000 44 45 46 47 86 21 CHI21 0 0 0.0000 45 46 47 48 80 22 CHI22 0 0 0.0000 46 47 48 49 77 23 CHI23 0 0 0.0000 48 49 50 51 71 24 CHI24 0 0 0.0000 49 50 51 52 60 25 CHI25 0 0 0.0000 50 51 52 53 59 26 CHI26 0 0 0.0000 51 52 53 54 56 27 CHI27 0 0 0.0000 52 53 54 55 55 28 CHI28 0 0 0.0000 49 50 61 62 70 29 CHI29 0 0 0.0000 50 61 62 63 67 30 CHI30 0 0 0.0000 47 48 73 74 77 31 CHI31 0 0 0.0000 45 46 81 82 85 32 CHI32 0 0 0.0000 35 44 90 91 95 33 CHI33 0 0 0.0000 44 90 91 92 95 34 CHI34 0 0 0.0000 21 22 98 99 99 35 PHI1 0 0 0.0000 2 1 104 105 0 36 PHI2 0 0 0.0000 1 104 105 114 0 37 CHI35 0 0 0.0000 104 105 106 107 112 38 CHI36 0 0 0.0000 105 106 107 108 111 39 PHI3 0 0 0.0000 104 105 114 120 0 40 CHI37 0 0 0.0000 105 114 115 116 119 41 PHI4 0 0 0.0000 114 120 122 132 0 42 CHI38 0 0 0.0000 120 122 123 124 130 43 CHI39 0 0 0.0000 122 123 124 125 127 44 PHI5 0 0 0.0000 120 122 132 136 0 45 PHI6 0 0 0.0000 122 132 136 144 0 46 CHI40 0 0 0.0000 132 136 137 138 142 47 CHI41 0 0 0.0000 136 137 138 139 142 48 PHI7 0 0 0.0000 132 136 144 146 0 49 PHI8 0 0 0.0000 136 144 146 147 0 1 C1 C_BYL 0 0.0000 2.4560 -0.8490 0.8940 2 103 104 0 0 2 C2 C_ALI 0 0.0000 3.7580 -1.3690 0.3450 1 3 11 102 0 3 C3 C_ALI 0 0.0000 4.9190 -0.7340 1.1260 2 4 8 9 0 4 C4 C_ALI 0 0.0000 6.2360 -1.2740 0.5600 3 5 6 13 0 5 H41 H_ALI 0 0.0000 7.0710 -0.8590 1.1250 4 0 0 0 7 6 H42 H_ALI 0 0.0000 6.2460 -2.3600 0.6330 4 0 0 0 7 7 Q1 PSEUD 0 0.0000 6.6585 -1.6095 0.8790 0 0 0 0 0 8 H31A H_ALI 0 0.0000 4.8890 0.3490 1.0040 3 0 0 0 10 9 H32A H_ALI 0 0.0000 4.8370 -0.9920 2.1780 3 0 0 0 10 10 Q2 PSEUD 0 0.0000 4.8630 -0.3215 1.5910 0 0 0 0 0 11 N7 N_AMO 0 0.0000 3.9260 -1.0440 -1.0790 2 12 20 0 0 12 C6 C_ALI 0 0.0000 5.1950 -1.4640 -1.7050 11 13 17 18 0 13 C5 C_ALI 0 0.0000 6.3540 -0.8550 -0.9070 4 12 14 15 0 14 H51 H_ALI 0 0.0000 6.3070 0.2330 -0.9780 13 0 0 0 16 15 H52 H_ALI 0 0.0000 7.3020 -1.2050 -1.3130 13 0 0 0 16 16 Q3 PSEUD 0 0.0000 6.8045 -0.4860 -1.1455 0 0 0 0 0 17 H61 H_ALI 0 0.0000 5.2560 -1.1060 -2.7310 12 0 0 0 19 18 H62 H_ALI 0 0.0000 5.2670 -2.5510 -1.6900 12 0 0 0 19 19 Q4 PSEUD 0 0.0000 5.2615 -1.8285 -2.2105 0 0 0 0 0 20 C8 C_BYL 0 0.0000 2.9730 -0.4180 -1.7860 11 21 101 0 0 21 C9 C_BYL 0 0.0000 3.0040 -0.3520 -3.2770 20 22 100 0 0 22 C10 C_ALI 0 0.0000 2.0560 0.5840 -3.9950 21 23 34 98 0 23 C11 C_ALI 0 0.0000 2.7080 1.0770 -5.2870 22 24 28 33 0 24 C12 C_ALI 0 0.0000 1.7240 2.0140 -6.0040 23 25 26 36 0 25 H121 H_ALI 0 0.0000 2.1330 2.3110 -6.9690 24 0 0 0 27 26 H122 H_ALI 0 0.0000 1.5410 2.8980 -5.3940 24 0 0 0 27 27 Q5 PSEUD 0 0.0000 1.8370 2.6045 -6.1815 0 0 0 0 0 28 C35 C_ALI 0 0.0000 3.9860 1.8590 -4.9620 23 29 30 31 0 29 H351 H_ALI 0 0.0000 4.4320 2.2270 -5.8860 28 0 0 0 32 30 H352 H_ALI 0 0.0000 3.7410 2.7020 -4.3160 28 0 0 0 32 31 H353 H_ALI 0 0.0000 4.6930 1.2040 -4.4530 28 0 0 0 32 32 Q6 PSEUD 0 0.0000 4.2887 2.0443 -4.8850 0 0 0 0 0 33 H11 H_ALI 0 0.0000 2.9470 0.2350 -5.9330 23 0 0 0 0 34 O5 O_EST 0 0.0000 0.8570 -0.1260 -4.2780 22 35 0 0 0 35 C14 C_ALI 0 0.0000 -0.0980 0.7480 -4.8630 34 36 44 97 0 36 C13 C_ALI 0 0.0000 0.4100 1.2510 -6.2170 24 35 37 43 0 37 O7 O_EST 0 0.0000 -0.5610 2.1220 -6.7990 36 38 0 0 0 38 C43 C_ALI 0 0.0000 -0.4330 1.9960 -8.2170 37 39 40 41 0 39 H431 H_ALI 0 0.0000 -1.1580 2.6450 -8.7070 38 0 0 0 42 40 H432 H_ALI 0 0.0000 0.5740 2.2840 -8.5170 38 0 0 0 42 41 H433 H_ALI 0 0.0000 -0.6170 0.9620 -8.5080 38 0 0 0 42 42 Q7 PSEUD 0 0.0000 -0.4003 1.9637 -8.5773 0 0 0 0 0 43 H13 H_ALI 0 0.0000 0.5820 0.4010 -6.8770 36 0 0 0 0 44 C15 C_ALI 0 0.0000 -1.3980 -0.0380 -5.0850 35 45 90 96 0 45 C16 C_ALI 0 0.0000 -2.1270 -0.2270 -3.7680 44 46 87 88 0 46 C17 C_ALI 0 0.0000 -3.2440 0.7550 -3.4720 45 47 81 86 0 47 C18 C_ALI 0 0.0000 -4.4320 -0.0060 -2.8680 46 48 78 79 0 48 C19 C_BYL 0 0.0000 -4.6820 0.4410 -1.4490 47 49 73 0 0 49 C20 C_BYL 0 0.0000 -4.5510 -0.4240 -0.4750 48 50 72 0 0 50 C21 C_ALI 0 0.0000 -4.7910 -0.0730 0.9630 49 51 61 71 0 51 C22 C_BYL 0 0.0000 -4.1150 -1.0930 1.8510 50 52 60 0 0 52 C23 C_ALI 0 0.0000 -2.6550 -0.9530 2.1990 51 53 57 58 0 53 C24 C_ALI 0 0.0000 -2.0520 -2.3440 2.3880 52 54 56 106 0 54 O10 O_HYD 0 0.0000 -1.8730 -2.6230 3.7750 53 55 0 0 0 55 HO10 H_OXY 0 0.0000 -2.7470 -2.5770 4.1850 54 0 0 0 0 56 H24 H_ALI 0 0.0000 -2.7780 -3.0790 1.9970 53 0 0 0 0 57 H231 H_ALI 0 0.0000 -2.1470 -0.4240 1.3960 52 0 0 0 59 58 H232 H_ALI 0 0.0000 -2.5640 -0.3850 3.1250 52 0 0 0 59 59 Q8 PSEUD 0 0.0000 -2.3555 -0.4045 2.2605 0 0 0 0 0 60 O9 O_BYL 0 0.0000 -4.7530 -2.0240 2.2820 51 0 0 0 0 61 C38 C_ALI 0 0.0000 -6.2950 -0.1030 1.2590 50 62 68 69 0 62 C39 C_BYL 0 0.0000 -6.5370 0.3460 2.6770 61 63 67 0 0 63 C40 C_BYL 0 0.0000 -7.3580 1.3380 2.9180 62 64 65 0 0 64 H401 H_ALI 0 0.0000 -7.5310 1.6610 3.9340 63 0 0 0 66 65 H402 H_ALI 0 0.0000 -7.8610 1.8340 2.1010 63 0 0 0 66 66 Q9 PSEUD 0 0.0000 -7.6960 1.7475 3.0175 0 0 0 0 0 67 H39 H_ALI 0 0.0000 -6.0340 -0.1490 3.4940 62 0 0 0 0 68 H381 H_ALI 0 0.0000 -6.8140 0.5640 0.5720 61 0 0 0 70 69 H382 H_ALI 0 0.0000 -6.6710 -1.1180 1.1310 61 0 0 0 70 70 Q10 PSEUD 0 0.0000 -6.7425 -0.2770 0.8515 0 0 0 0 0 71 H21 H_ALI 0 0.0000 -4.3910 0.9070 1.2000 50 0 0 0 0 72 H20 H_ALI 0 0.0000 -4.2520 -1.4390 -0.7260 49 0 0 0 0 73 C37 C_ALI 0 0.0000 -5.0820 1.8690 -1.1880 48 74 75 76 0 74 H371 H_ALI 0 0.0000 -5.1340 2.0400 -0.1120 73 0 0 0 77 75 H372 H_ALI 0 0.0000 -4.3440 2.5390 -1.6270 73 0 0 0 77 76 H373 H_ALI 0 0.0000 -6.0580 2.0600 -1.6330 73 0 0 0 77 77 Q11 PSEUD 0 0.0000 -5.1787 2.2130 -1.1240 0 0 0 0 0 78 H181 H_ALI 0 0.0000 -5.3210 0.1830 -3.4680 47 0 0 0 80 79 H182 H_ALI 0 0.0000 -4.2160 -1.0730 -2.8780 47 0 0 0 80 80 Q12 PSEUD 0 0.0000 -4.7685 -0.4450 -3.1730 0 0 0 0 0 81 C36 C_ALI 0 0.0000 -3.7330 1.5160 -4.6980 46 82 83 84 0 82 H361 H_ALI 0 0.0000 -4.5310 2.1990 -4.4070 81 0 0 0 85 83 H362 H_ALI 0 0.0000 -2.9070 2.0830 -5.1270 81 0 0 0 85 84 H363 H_ALI 0 0.0000 -4.1110 0.8090 -5.4370 81 0 0 0 85 85 Q13 PSEUD 0 0.0000 -3.8497 1.6970 -4.9903 0 0 0 0 0 86 H17 H_ALI 0 0.0000 -2.8870 1.4820 -2.7310 46 0 0 0 0 87 H161 H_ALI 0 0.0000 -2.5340 -1.2500 -3.7310 45 0 0 0 89 88 H162 H_ALI 0 0.0000 -1.3880 -0.1650 -2.9490 45 0 0 0 89 89 Q14 PSEUD 0 0.0000 -1.9610 -0.7075 -3.3400 0 0 0 0 0 90 O8 O_EST 0 0.0000 -1.0270 -1.3430 -5.5790 44 91 0 0 0 91 C44 C_ALI 0 0.0000 -2.0960 -1.7880 -6.4160 90 92 93 94 0 92 H441 H_ALI 0 0.0000 -1.8600 -2.7740 -6.8140 91 0 0 0 95 93 H442 H_ALI 0 0.0000 -3.0160 -1.8420 -5.8330 91 0 0 0 95 94 H443 H_ALI 0 0.0000 -2.2290 -1.0860 -7.2390 91 0 0 0 95 95 Q15 PSEUD 0 0.0000 -2.3683 -1.9007 -6.6287 0 0 0 0 0 96 H15 H_ALI 0 0.0000 -1.9750 0.4290 -5.8630 44 0 0 0 0 97 H14 H_ALI 0 0.0000 -0.2960 1.5890 -4.2070 35 0 0 0 0 98 O6 O_HYD 0 0.0000 1.7770 1.7060 -3.1540 22 99 0 0 0 99 HO6 H_OXY 0 0.0000 2.6290 2.0980 -2.9190 98 0 0 0 0 100 O4 O_BYL 0 0.0000 3.7520 -1.0380 -3.9210 21 0 0 0 0 101 O3 O_BYL 0 0.0000 2.0230 0.0910 -1.2200 20 0 0 0 0 102 H2 H_ALI 0 0.0000 3.7980 -2.4520 0.4690 2 0 0 0 0 103 O2 O_BYL 0 0.0000 2.3630 0.3140 1.2160 1 0 0 0 0 104 O1 O_EST 0 0.0000 1.4240 -1.6840 1.0420 1 105 0 0 0 105 C26 C_ALI 0 0.0000 0.2040 -1.3370 1.7510 104 106 113 114 0 106 C25 C_ALI 0 0.0000 -0.7550 -2.5200 1.6210 53 105 107 112 0 107 C41 C_ALI 0 0.0000 -1.0620 -2.7490 0.1350 106 108 109 110 0 108 H411 H_ALI 0 0.0000 -1.6720 -3.6450 0.0230 107 0 0 0 111 109 H412 H_ALI 0 0.0000 -1.6020 -1.8900 -0.2610 107 0 0 0 111 110 H413 H_ALI 0 0.0000 -0.1280 -2.8750 -0.4130 107 0 0 0 111 111 Q16 PSEUD 0 0.0000 -1.1340 -2.8033 -0.2170 0 0 0 0 0 112 H25 H_ALI 0 0.0000 -0.2400 -3.4140 1.9950 106 0 0 0 0 113 H26 H_ALI 0 0.0000 -0.2300 -0.4430 1.3150 105 0 0 0 0 114 C27 C_BYL 0 0.0000 0.5390 -1.0930 3.2000 105 115 120 0 0 115 C42 C_ALI 0 0.0000 1.1580 -2.1910 4.0260 114 116 117 118 0 116 H421 H_ALI 0 0.0000 1.4030 -1.8070 5.0160 115 0 0 0 119 117 H422 H_ALI 0 0.0000 0.4520 -3.0160 4.1210 115 0 0 0 119 118 H423 H_ALI 0 0.0000 2.0660 -2.5450 3.5380 115 0 0 0 119 119 Q17 PSEUD 0 0.0000 1.3070 -2.4560 4.2250 0 0 0 0 0 120 C28 C_BYL 0 0.0000 0.2930 0.0730 3.7420 114 121 122 0 0 121 H28 H_ALI 0 0.0000 -0.0400 0.8950 3.1250 120 0 0 0 0 122 C29 C_ALI 0 0.0000 0.4750 0.2690 5.2250 120 123 131 132 0 123 C34 C_ALI 0 0.0000 -0.8050 0.8560 5.8230 122 124 128 129 0 124 C33 C_ALI 0 0.0000 -0.6200 1.0550 7.3280 123 125 126 144 0 125 H331 H_ALI 0 0.0000 -1.5320 1.4730 7.7540 124 0 0 0 127 126 H332 H_ALI 0 0.0000 -0.4060 0.0950 7.7980 124 0 0 0 127 127 Q18 PSEUD 0 0.0000 -0.9690 0.7840 7.7760 0 0 0 0 0 128 H341 H_ALI 0 0.0000 -1.0180 1.8160 5.3530 123 0 0 0 130 129 H342 H_ALI 0 0.0000 -1.6350 0.1720 5.6460 123 0 0 0 130 130 Q19 PSEUD 0 0.0000 -1.3265 0.9940 5.4995 0 0 0 0 0 131 H29 H_ALI 0 0.0000 0.6880 -0.6900 5.6950 122 0 0 0 0 132 C30 C_ALI 0 0.0000 1.6400 1.2290 5.4730 122 133 134 136 0 133 H301 H_ALI 0 0.0000 1.4260 2.1890 5.0030 132 0 0 0 135 134 H302 H_ALI 0 0.0000 2.5520 0.8110 5.0470 132 0 0 0 135 135 Q20 PSEUD 0 0.0000 1.9890 1.5000 5.0250 0 0 0 0 0 136 C31 C_ALI 0 0.0000 1.8250 1.4280 6.9790 132 137 143 144 0 137 O11 O_EST 0 0.0000 2.9130 2.3250 7.2110 136 138 0 0 0 138 C45 C_ALI 0 0.0000 3.4930 1.9550 8.4630 137 139 140 141 0 139 H451 H_ALI 0 0.0000 4.3320 2.6150 8.6840 138 0 0 0 142 140 H452 H_ALI 0 0.0000 2.7440 2.0430 9.2510 138 0 0 0 142 141 H453 H_ALI 0 0.0000 3.8450 0.9250 8.4110 138 0 0 0 142 142 Q21 PSEUD 0 0.0000 3.6403 1.8610 8.7820 0 0 0 0 0 143 H31 H_ALI 0 0.0000 2.0380 0.4680 7.4490 136 0 0 0 0 144 C32 C_ALI 0 0.0000 0.5440 2.0150 7.5770 124 136 145 146 0 145 H32 H_ALI 0 0.0000 0.3310 2.9750 7.1070 144 0 0 0 0 146 O12 O_HYD 0 0.0000 0.7170 2.2000 8.9830 144 147 0 0 0 147 HO12 H_OXY 0 0.0000 -0.1100 2.5710 9.3200 146 0 0 0 0