REMARK This residue is converted from PDB Protein Databank automatically.The original name of this chemical component in PDB is = "SPHINXOLIDE B" RESIDUE SPX 57 174 1 174 1 CHI1 0 0 0.0000 1 2 3 4 74 2 CHI2 0 0 0.0000 2 3 4 5 74 3 CHI3 0 0 0.0000 3 4 5 6 8 4 CHI4 0 0 0.0000 4 5 6 7 7 5 CHI5 0 0 0.0000 3 4 9 10 73 6 CHI6 0 0 0.0000 4 9 10 11 14 7 CHI7 0 0 0.0000 4 9 15 16 72 8 CHI8 0 0 0.0000 9 15 16 17 21 9 CHI9 0 0 0.0000 15 16 17 18 21 10 CHI10 0 0 0.0000 9 15 22 23 71 11 CHI11 0 0 0.0000 15 22 23 24 68 12 CHI12 0 0 0.0000 22 23 24 25 29 13 CHI13 0 0 0.0000 23 24 25 26 29 14 CHI14 0 0 0.0000 22 23 30 31 67 15 CHI15 0 0 0.0000 30 31 32 33 65 16 CHI16 0 0 0.0000 31 32 33 34 37 17 CHI17 0 0 0.0000 31 32 38 39 64 18 CHI18 0 0 0.0000 32 38 39 40 40 19 CHI19 0 0 0.0000 32 38 41 42 63 20 CHI20 0 0 0.0000 38 41 42 43 60 21 CHI21 0 0 0.0000 41 42 43 44 48 22 CHI22 0 0 0.0000 42 43 44 45 48 23 CHI23 0 0 0.0000 41 42 49 50 59 24 CHI24 0 0 0.0000 49 50 51 52 57 25 CHI25 0 0 0.0000 50 51 52 53 56 26 PHI1 0 0 0.0000 1 2 75 77 0 27 PHI2 0 0 0.0000 75 77 78 82 0 28 PHI3 0 0 0.0000 77 78 82 90 0 29 CHI26 0 0 0.0000 78 82 83 84 88 30 CHI27 0 0 0.0000 82 83 84 85 88 31 PHI4 0 0 0.0000 78 82 90 94 0 32 PHI5 0 0 0.0000 82 90 94 100 0 33 CHI28 0 0 0.0000 90 94 95 96 99 34 PHI6 0 0 0.0000 94 100 102 104 0 35 PHI7 0 0 0.0000 102 104 106 108 0 36 PHI8 0 0 0.0000 104 106 108 109 0 37 PHI9 0 0 0.0000 106 108 109 111 0 38 PHI10 0 0 0.0000 108 109 111 118 0 39 CHI29 0 0 0.0000 109 111 112 113 116 40 PHI11 0 0 0.0000 109 111 118 126 0 41 CHI30 0 0 0.0000 111 118 119 120 124 42 CHI31 0 0 0.0000 118 119 120 121 124 43 PHI12 0 0 0.0000 111 118 126 133 0 44 CHI32 0 0 0.0000 118 126 127 128 131 45 PHI13 0 0 0.0000 118 126 133 137 0 46 PHI14 0 0 0.0000 126 133 137 141 0 47 PHI15 0 0 0.0000 133 137 141 143 0 48 PHI16 0 0 0.0000 137 141 143 150 0 49 CHI33 0 0 0.0000 141 143 144 145 148 50 PHI17 0 0 0.0000 141 143 150 158 0 51 CHI34 0 0 0.0000 143 150 151 152 156 52 CHI35 0 0 0.0000 150 151 152 153 156 53 PHI18 0 0 0.0000 143 150 158 162 0 54 PHI19 0 0 0.0000 150 158 162 164 0 55 PHI20 0 0 0.0000 162 164 166 172 0 56 CHI36 0 0 0.0000 164 166 167 168 171 57 PHI21 0 0 0.0000 164 166 172 174 0 1 O40 O_BYL 0 0.0000 6.2070 -5.1470 3.4220 2 0 0 0 0 2 C40 C_BYL 0 0.0000 6.3060 -4.5350 2.3770 1 3 75 0 0 3 O11 O_EST 0 0.0000 7.0450 -3.3910 2.2710 2 4 0 0 0 4 C11 C_ALI 0 0.0000 6.3870 -2.3040 1.5460 3 5 9 74 0 5 C10 C_ALI 0 0.0000 6.1070 -2.7670 0.1210 4 6 8 77 0 6 O10 O_HYD 0 0.0000 7.3260 -2.7470 -0.6250 5 7 0 0 0 7 H5 H_OXY 0 0.0000 7.1070 -3.0200 -1.5260 6 0 0 0 0 8 H10 H_ALI 0 0.0000 5.3930 -2.0860 -0.3430 5 0 0 0 0 9 C12 C_ALI 0 0.0000 7.3100 -1.0810 1.5240 4 10 15 73 0 10 C41 C_ALI 0 0.0000 8.6410 -1.4320 2.1900 9 11 12 13 0 11 H411 H_ALI 0 0.0000 8.4620 -1.7360 3.2220 10 0 0 0 14 12 H412 H_ALI 0 0.0000 9.1150 -2.2500 1.6470 10 0 0 0 14 13 H413 H_ALI 0 0.0000 9.2950 -0.5600 2.1770 10 0 0 0 14 14 Q1 PSEUD 0 0.0000 8.9573 -1.5153 2.3487 0 0 0 0 0 15 C13 C_ALI 0 0.0000 6.6450 0.0660 2.2850 9 16 22 72 0 16 O13 O_EST 0 0.0000 7.3880 0.3400 3.4740 15 17 0 0 0 17 C49 C_ALI 0 0.0000 6.8600 -0.5080 4.4960 16 18 19 20 0 18 H491 H_ALI 0 0.0000 5.7860 -0.3420 4.5860 17 0 0 0 21 19 H492 H_ALI 0 0.0000 7.0460 -1.5500 4.2360 17 0 0 0 21 20 H493 H_ALI 0 0.0000 7.3440 -0.2780 5.4450 17 0 0 0 21 21 Q2 PSEUD 0 0.0000 6.7253 -0.7233 4.7557 0 0 0 0 0 22 C14 C_ALI 0 0.0000 6.6110 1.3180 1.4060 15 23 69 70 0 23 C15 C_ALI 0 0.0000 6.0340 2.4880 2.2110 22 24 30 68 0 24 O15 O_EST 0 0.0000 4.9670 2.0180 3.0370 23 25 0 0 0 25 C50 C_ALI 0 0.0000 5.2740 2.4170 4.3740 24 26 27 28 0 26 H501 H_ALI 0 0.0000 6.2460 2.0130 4.6600 25 0 0 0 29 27 H502 H_ALI 0 0.0000 5.3020 3.5050 4.4320 25 0 0 0 29 28 H503 H_ALI 0 0.0000 4.5100 2.0370 5.0520 25 0 0 0 29 29 Q3 PSEUD 0 0.0000 5.3527 2.5183 4.7147 0 0 0 0 0 30 C16 C_BYL 0 0.0000 5.5130 3.5360 1.2640 23 31 67 0 0 31 C17 C_BYL 0 0.0000 4.5720 4.3630 1.6480 30 32 66 0 0 32 C18 C_ALI 0 0.0000 4.0540 5.4110 0.6950 31 33 38 65 0 33 C42 C_ALI 0 0.0000 4.4070 6.8030 1.2230 32 34 35 36 0 34 H421 H_ALI 0 0.0000 3.9540 6.9450 2.2040 33 0 0 0 37 35 H422 H_ALI 0 0.0000 5.4900 6.8960 1.3050 33 0 0 0 37 36 H423 H_ALI 0 0.0000 4.0290 7.5590 0.5350 33 0 0 0 37 37 Q4 PSEUD 0 0.0000 4.4910 7.1333 1.3480 0 0 0 0 0 38 C19 C_ALI 0 0.0000 2.5340 5.2790 0.5790 32 39 41 64 0 39 O19 O_HYD 0 0.0000 1.9080 6.1600 1.5130 38 40 0 0 0 40 H1 H_OXY 0 0.0000 0.9530 6.0450 1.4090 39 0 0 0 0 41 C20 C_ALI 0 0.0000 2.0940 5.6460 -0.8400 38 42 61 62 0 42 C21 C_ALI 0 0.0000 0.5950 5.3770 -0.9940 41 43 49 60 0 43 O21 O_EST 0 0.0000 -0.1000 6.6180 -1.1310 42 44 0 0 0 44 C51 C_ALI 0 0.0000 -1.4030 6.4240 -0.5780 43 45 46 47 0 45 H511 H_ALI 0 0.0000 -1.9740 7.3490 -0.6600 44 0 0 0 48 46 H512 H_ALI 0 0.0000 -1.9150 5.6320 -1.1230 44 0 0 0 48 47 H513 H_ALI 0 0.0000 -1.3150 6.1440 0.4720 44 0 0 0 48 48 Q5 PSEUD 0 0.0000 -1.7347 6.3750 -0.4370 0 0 0 0 0 49 C22 C_BYL 0 0.0000 0.3600 4.5310 -2.2190 42 50 59 0 0 50 C23 C_BYL 0 0.0000 -0.7990 3.9480 -2.4020 49 51 58 0 0 51 C24 C_ALI 0 0.0000 -1.0380 3.1060 -3.6290 50 52 57 109 0 52 C43 C_ALI 0 0.0000 -2.5420 2.9070 -3.8250 51 53 54 55 0 53 H431 H_ALI 0 0.0000 -3.0420 2.9360 -2.8570 52 0 0 0 56 54 H432 H_ALI 0 0.0000 -2.9340 3.7010 -4.4610 52 0 0 0 56 55 H433 H_ALI 0 0.0000 -2.7220 1.9410 -4.2980 52 0 0 0 56 56 Q6 PSEUD 0 0.0000 -2.8993 2.8593 -3.8720 0 0 0 0 0 57 H24 H_ALI 0 0.0000 -0.6210 3.6090 -4.5020 51 0 0 0 0 58 H23 H_ALI 0 0.0000 -1.5840 4.0710 -1.6700 50 0 0 0 0 59 H22 H_ALI 0 0.0000 1.1490 4.4060 -2.9460 49 0 0 0 0 60 H21 H_ALI 0 0.0000 0.2280 4.8500 -0.1130 42 0 0 0 0 61 H201 H_ALI 0 0.0000 2.6480 5.0420 -1.5590 41 0 0 0 63 62 H202 H_ALI 0 0.0000 2.2950 6.7020 -1.0210 41 0 0 0 63 63 Q7 PSEUD 0 0.0000 2.4715 5.8720 -1.2900 0 0 0 0 0 64 H19 H_ALI 0 0.0000 2.2410 4.2520 0.7950 38 0 0 0 0 65 H18 H_ALI 0 0.0000 4.5070 5.2670 -0.2860 32 0 0 0 0 66 H17 H_ALI 0 0.0000 4.1630 4.2930 2.6450 31 0 0 0 0 67 H16 H_ALI 0 0.0000 5.9140 3.6040 0.2630 30 0 0 0 0 68 H15 H_ALI 0 0.0000 6.8160 2.9190 2.8360 23 0 0 0 0 69 H141 H_ALI 0 0.0000 5.9840 1.1330 0.5340 22 0 0 0 71 70 H142 H_ALI 0 0.0000 7.6220 1.5630 1.0830 22 0 0 0 71 71 Q8 PSEUD 0 0.0000 6.8030 1.3480 0.8085 0 0 0 0 0 72 H13 H_ALI 0 0.0000 5.6270 -0.2180 2.5510 15 0 0 0 0 73 H12 H_ALI 0 0.0000 7.4880 -0.7780 0.4920 9 0 0 0 0 74 H11 H_ALI 0 0.0000 5.4550 -2.0410 2.0460 4 0 0 0 0 75 C39 C_BYL 0 0.0000 5.6360 -4.9800 1.1380 2 76 77 0 0 76 H39 H_ALI 0 0.0000 5.2230 -5.9750 1.0750 75 0 0 0 0 77 C9 C_BYL 0 0.0000 5.5440 -4.1560 0.1040 5 75 78 0 0 78 C8 C_ALI 0 0.0000 4.8530 -4.6450 -1.1470 77 79 80 82 0 79 H81 H_ALI 0 0.0000 4.6030 -5.7000 -1.0330 78 0 0 0 81 80 H82 H_ALI 0 0.0000 5.5190 -4.5220 -2.0010 78 0 0 0 81 81 Q9 PSEUD 0 0.0000 5.0610 -5.1110 -1.5170 0 0 0 0 0 82 C7 C_ALI 0 0.0000 3.5730 -3.8420 -1.3790 78 83 89 90 0 83 O7 O_EST 0 0.0000 2.4780 -4.4890 -0.7270 82 84 0 0 0 84 C48 C_ALI 0 0.0000 1.6270 -3.4560 -0.2260 83 85 86 87 0 85 H481 H_ALI 0 0.0000 2.1510 -2.8970 0.5490 84 0 0 0 88 86 H482 H_ALI 0 0.0000 1.3560 -2.7820 -1.0390 84 0 0 0 88 87 H483 H_ALI 0 0.0000 0.7240 -3.9000 0.1940 84 0 0 0 88 88 Q10 PSEUD 0 0.0000 1.4103 -3.1930 -0.0987 0 0 0 0 0 89 H7 H_ALI 0 0.0000 3.6950 -2.8370 -0.9750 82 0 0 0 0 90 C6 C_ALI 0 0.0000 3.2950 -3.7580 -2.8850 82 91 92 94 0 91 H61 H_ALI 0 0.0000 3.7460 -2.8500 -3.2860 90 0 0 0 93 92 H62 H_ALI 0 0.0000 3.7260 -4.6270 -3.3820 90 0 0 0 93 93 Q11 PSEUD 0 0.0000 3.7360 -3.7385 -3.3340 0 0 0 0 0 94 C5 C_BYL 0 0.0000 1.8100 -3.7290 -3.1270 90 95 100 0 0 95 C38 C_ALI 0 0.0000 0.9610 -4.9130 -2.7420 94 96 97 98 0 96 H381 H_ALI 0 0.0000 0.6120 -4.7920 -1.7160 95 0 0 0 99 97 H382 H_ALI 0 0.0000 0.1030 -4.9780 -3.4120 95 0 0 0 99 98 H383 H_ALI 0 0.0000 1.5530 -5.8250 -2.8190 95 0 0 0 99 99 Q12 PSEUD 0 0.0000 0.7560 -5.1983 -2.6490 0 0 0 0 0 100 C4 C_BYL 0 0.0000 1.2420 -2.6520 -3.6740 94 101 102 0 0 101 H4 H_ALI 0 0.0000 1.8530 -1.8000 -3.9380 100 0 0 0 0 102 C3 C_BYL 0 0.0000 -0.1990 -2.6180 -3.9200 100 103 104 0 0 103 H3 H_ALI 0 0.0000 -0.7820 -3.5240 -3.8390 102 0 0 0 0 104 C2 C_BYL 0 0.0000 -0.7990 -1.4520 -4.2580 102 105 106 0 0 105 H2 H_ALI 0 0.0000 -1.8580 -1.4360 -4.4650 104 0 0 0 0 106 C1 C_BYL 0 0.0000 -0.0290 -0.2670 -4.3520 104 107 108 0 0 107 O1 O_BYL 0 0.0000 1.1780 -0.3230 -4.2100 106 0 0 0 0 108 O25 O_EST 0 0.0000 -0.6140 0.9240 -4.5970 106 109 0 0 0 109 C25 C_ALI 0 0.0000 -0.3620 1.7460 -3.4550 51 108 110 111 0 110 H25 H_ALI 0 0.0000 0.7120 1.8880 -3.3410 109 0 0 0 0 111 C26 C_ALI 0 0.0000 -0.9190 1.0620 -2.2050 109 112 117 118 0 112 C44 C_ALI 0 0.0000 -0.8720 2.0360 -1.0260 111 113 114 115 0 113 H441 H_ALI 0 0.0000 -1.7270 2.7090 -1.0760 112 0 0 0 116 114 H442 H_ALI 0 0.0000 -0.9030 1.4770 -0.0910 112 0 0 0 116 115 H443 H_ALI 0 0.0000 0.0500 2.6160 -1.0720 112 0 0 0 116 116 Q13 PSEUD 0 0.0000 -0.8600 2.2673 -0.7463 0 0 0 0 0 117 H26 H_ALI 0 0.0000 -0.3180 0.1820 -1.9740 111 0 0 0 0 118 C27 C_ALI 0 0.0000 -2.3680 0.6380 -2.4580 111 119 125 126 0 119 O27 O_EST 0 0.0000 -2.3940 -0.4110 -3.4280 118 120 0 0 0 120 C52 C_ALI 0 0.0000 -3.1940 0.0550 -4.5180 119 121 122 123 0 121 H521 H_ALI 0 0.0000 -2.5490 0.3070 -5.3600 120 0 0 0 124 122 H522 H_ALI 0 0.0000 -3.8920 -0.7270 -4.8160 120 0 0 0 124 123 H523 H_ALI 0 0.0000 -3.7490 0.9400 -4.2080 120 0 0 0 124 124 Q14 PSEUD 0 0.0000 -3.3967 0.1733 -4.7947 0 0 0 0 0 125 H27 H_ALI 0 0.0000 -2.9360 1.4910 -2.8290 118 0 0 0 0 126 C28 C_ALI 0 0.0000 -2.9890 0.1400 -1.1520 118 127 132 133 0 127 C45 C_ALI 0 0.0000 -3.1450 1.3130 -0.1810 126 128 129 130 0 128 H451 H_ALI 0 0.0000 -3.9010 1.0680 0.5650 127 0 0 0 131 129 H452 H_ALI 0 0.0000 -2.1930 1.5030 0.3140 127 0 0 0 131 130 H453 H_ALI 0 0.0000 -3.4520 2.2020 -0.7320 127 0 0 0 131 131 Q15 PSEUD 0 0.0000 -3.1820 1.5910 0.0490 0 0 0 0 0 132 H28 H_ALI 0 0.0000 -2.3420 -0.6160 -0.7070 126 0 0 0 0 133 C29 C_ALI 0 0.0000 -4.3620 -0.4700 -1.4400 126 134 135 137 0 134 H291 H_ALI 0 0.0000 -5.0360 0.3070 -1.8010 133 0 0 0 136 135 H292 H_ALI 0 0.0000 -4.2630 -1.2460 -2.1990 133 0 0 0 136 136 Q16 PSEUD 0 0.0000 -4.6495 -0.4695 -2.0000 0 0 0 0 0 137 C30 C_ALI 0 0.0000 -4.9290 -1.0810 -0.1560 133 138 139 141 0 138 H301 H_ALI 0 0.0000 -4.3010 -1.9150 0.1570 137 0 0 0 140 139 H302 H_ALI 0 0.0000 -4.9470 -0.3250 0.6290 137 0 0 0 140 140 Q17 PSEUD 0 0.0000 -4.6240 -1.1200 0.3930 0 0 0 0 0 141 C31 C_BYL 0 0.0000 -6.3300 -1.5740 -0.4110 137 142 143 0 0 142 O31 O_BYL 0 0.0000 -6.7910 -1.5340 -1.5260 141 0 0 0 0 143 C32 C_ALI 0 0.0000 -7.1550 -2.1180 0.7270 141 144 149 150 0 144 C46 C_ALI 0 0.0000 -6.8280 -3.5990 0.9310 143 145 146 147 0 145 H461 H_ALI 0 0.0000 -7.0560 -4.1510 0.0200 144 0 0 0 148 146 H462 H_ALI 0 0.0000 -5.7690 -3.7080 1.1660 144 0 0 0 148 147 H463 H_ALI 0 0.0000 -7.4250 -3.9920 1.7540 144 0 0 0 148 148 Q18 PSEUD 0 0.0000 -6.7500 -3.9503 0.9800 0 0 0 0 0 149 H32 H_ALI 0 0.0000 -6.9260 -1.5660 1.6380 143 0 0 0 0 150 C33 C_ALI 0 0.0000 -8.6410 -1.9650 0.3970 143 151 157 158 0 151 O33 O_EST 0 0.0000 -8.9470 -0.5830 0.2060 150 152 0 0 0 152 C53 C_ALI 0 0.0000 -9.9470 -0.5180 -0.8130 151 153 154 155 0 153 H531 H_ALI 0 0.0000 -10.2770 0.5140 -0.9320 152 0 0 0 156 154 H532 H_ALI 0 0.0000 -9.5310 -0.8770 -1.7540 152 0 0 0 156 155 H533 H_ALI 0 0.0000 -10.7950 -1.1400 -0.5290 152 0 0 0 156 156 Q19 PSEUD 0 0.0000 -10.2010 -0.5010 -1.0717 0 0 0 0 0 157 H33 H_ALI 0 0.0000 -8.8700 -2.5170 -0.5140 150 0 0 0 0 158 C34 C_ALI 0 0.0000 -9.4790 -2.5180 1.5520 150 159 160 162 0 159 H341 H_ALI 0 0.0000 -10.5370 -2.4530 1.2970 158 0 0 0 161 160 H342 H_ALI 0 0.0000 -9.2110 -3.5590 1.7300 158 0 0 0 161 161 Q20 PSEUD 0 0.0000 -9.8740 -3.0060 1.5135 0 0 0 0 0 162 C35 C_BYL 0 0.0000 -9.2130 -1.7110 2.7970 158 163 164 0 0 163 H35 H_ALI 0 0.0000 -8.2000 -1.5780 3.1470 162 0 0 0 0 164 C36 C_BYL 0 0.0000 -10.2160 -1.1680 3.4580 162 165 166 0 0 165 H36 H_ALI 0 0.0000 -11.2290 -1.3020 3.1080 164 0 0 0 0 166 N36 N_AMI 0 0.0000 -9.9700 -0.4230 4.6080 164 167 172 0 0 167 C47 C_ALI 0 0.0000 -8.5960 -0.2420 5.0840 166 168 169 170 0 168 H471 H_ALI 0 0.0000 -8.6020 0.3650 5.9890 167 0 0 0 171 169 H472 H_ALI 0 0.0000 -8.1560 -1.2150 5.3010 167 0 0 0 171 170 H473 H_ALI 0 0.0000 -8.0090 0.2590 4.3140 167 0 0 0 171 171 Q21 PSEUD 0 0.0000 -8.2557 -0.1970 5.2013 0 0 0 0 0 172 C37 C_BYL 0 0.0000 -10.9960 0.1310 5.2840 166 173 174 0 0 173 H37 H_ALI 0 0.0000 -12.0090 -0.0020 4.9340 172 0 0 0 0 174 O37 O_BYL 0 0.0000 -10.7810 0.7810 6.2860 172 0 0 0 0