REMARK This residue is converted from PDB Protein Databank automatically.The original name of this chemical component in PDB is = "CYCLOTHEONAMIDE A" RESIDUE CTA 33 114 1 114 1 CHI1 0 0 0.0000 101 1 2 3 100 2 CHI2 0 0 0.0000 2 3 4 5 98 3 CHI3 0 0 0.0000 3 4 5 6 78 4 CHI4 0 0 0.0000 4 5 6 7 77 5 CHI5 0 0 0.0000 5 6 7 8 76 6 CHI6 0 0 0.0000 6 7 8 9 57 7 CHI7 0 0 0.0000 7 8 9 10 56 8 CHI8 0 0 0.0000 8 9 10 11 55 9 CHI9 0 0 0.0000 9 10 11 12 54 10 CHI10 0 0 0.0000 10 11 12 13 32 11 CHI11 0 0 0.0000 11 12 13 14 31 12 CHI12 0 0 0.0000 12 13 14 15 30 13 CHI13 0 0 0.0000 13 14 15 16 18 14 CHI14 0 0 0.0000 13 14 19 20 29 15 CHI15 0 0 0.0000 14 19 20 21 27 16 CHI16 0 0 0.0000 19 20 21 22 24 17 CHI17 0 0 0.0000 14 19 28 29 29 18 CHI18 0 0 0.0000 10 11 33 34 53 19 CHI19 0 0 0.0000 11 33 34 35 50 20 CHI20 0 0 0.0000 33 34 35 36 47 21 CHI21 0 0 0.0000 34 35 36 37 44 22 CHI22 0 0 0.0000 35 36 37 38 43 23 CHI23 0 0 0.0000 36 37 38 39 41 24 CHI24 0 0 0.0000 6 7 58 59 75 25 CHI25 0 0 0.0000 7 58 59 60 70 26 CHI26 0 0 0.0000 3 4 79 80 97 27 CHI27 0 0 0.0000 4 79 80 81 92 28 CHI28 0 0 0.0000 82 87 88 89 89 29 PHI1 0 0 0.0000 2 1 102 104 0 30 PHI2 0 0 0.0000 1 102 104 108 0 31 PHI3 0 0 0.0000 102 104 108 110 0 32 PHI4 0 0 0.0000 104 108 110 112 0 33 PHI5 0 0 0.0000 108 110 112 114 0 1 C1 C_BYL 0 0.0000 2.1270 -2.5230 0.5850 2 101 102 0 0 2 C2 C_BYL 0 0.0000 2.2480 -1.8300 -0.7120 1 3 100 0 0 3 C3 C_BYL 0 0.0000 1.8250 -2.4420 -1.8120 2 4 99 0 0 4 C4 C_ALI 0 0.0000 1.9000 -1.8200 -3.1790 3 5 79 98 0 5 N5 N_AMO 0 0.0000 0.6340 -1.1190 -3.4690 4 6 78 0 0 6 C6 C_BYL 0 0.0000 0.0390 -0.4180 -2.4750 5 7 77 0 0 7 C7 C_ALI 0 0.0000 -1.4500 -0.1630 -2.5420 6 8 58 76 0 8 N8 N_AMO 0 0.0000 -1.8980 0.2210 -1.1800 7 9 57 0 0 9 C9 C_BYL 0 0.0000 -3.0700 0.9110 -1.1110 8 10 56 0 0 10 C10 C_BYL 0 0.0000 -3.4890 1.5790 0.1530 9 11 55 0 0 11 C11 C_ALI 0 0.0000 -2.5490 1.8320 1.2940 10 12 33 54 0 12 N12 N_AMO 0 0.0000 -2.2780 0.5830 2.0310 11 13 32 0 0 13 C13 C_BYL 0 0.0000 -2.0930 0.7180 3.3760 12 14 31 0 0 14 C14 C_ALI 0 0.0000 -1.8760 -0.5000 4.2330 13 15 19 30 0 15 C15 C_ALI 0 0.0000 -2.4130 -0.2290 5.6600 14 16 17 21 0 16 H151 H_ALI 0 0.0000 -2.8650 0.7580 5.7200 15 0 0 0 18 17 H152 H_ALI 0 0.0000 -3.1280 -0.9990 5.9460 15 0 0 0 18 18 Q1 PSEUD 0 0.0000 -2.9965 -0.1205 5.8330 0 0 0 0 0 19 N18 N_AMO 0 0.0000 -0.4270 -0.7580 4.3930 14 20 28 0 0 20 C17 C_ALI 0 0.0000 -0.0400 0.1130 5.5430 19 21 25 26 0 21 C16 C_ALI 0 0.0000 -1.1490 -0.3060 6.5610 15 20 22 23 0 22 H161 H_ALI 0 0.0000 -1.2100 0.4040 7.3830 21 0 0 0 24 23 H162 H_ALI 0 0.0000 -0.9850 -1.3190 6.9210 21 0 0 0 24 24 Q2 PSEUD 0 0.0000 -1.0975 -0.4575 7.1520 0 0 0 0 0 25 H171 H_ALI 0 0.0000 -0.1250 1.1660 5.2870 20 0 0 0 27 26 H172 H_ALI 0 0.0000 0.9480 -0.1290 5.9190 20 0 0 0 27 27 Q3 PSEUD 0 0.0000 0.4115 0.5185 5.6030 0 0 0 0 0 28 C19 C_BYL 0 0.0000 0.3440 -1.5920 3.6840 19 29 108 0 0 29 O50 O_BYL 0 0.0000 -0.1320 -2.1900 2.7410 28 0 0 0 0 30 H14 H_ALI 0 0.0000 -2.3690 -1.3660 3.8090 14 0 0 0 0 31 O49 O_BYL 0 0.0000 -2.1110 1.8230 3.8840 13 0 0 0 0 32 H12 H_AMI 0 0.0000 -2.2320 -0.2800 1.5950 12 0 0 0 0 33 C42 C_ALI 0 0.0000 -1.2460 2.4530 0.7920 11 34 51 52 0 34 C43 C_ALI 0 0.0000 -0.3240 2.7350 1.9800 33 35 48 49 0 35 C44 C_ALI 0 0.0000 0.9800 3.3560 1.4770 34 36 45 46 0 36 N45 N_AMO 0 0.0000 1.8630 3.6250 2.6150 35 37 44 0 0 37 C46 C_BYL 0 0.0000 3.1000 4.1870 2.4070 36 38 42 0 0 38 N47 N_AMO 0 0.0000 3.9290 4.4400 3.4740 37 39 40 0 0 39 H471 H_AMI 0 0.0000 4.8020 4.8370 3.3280 38 0 0 0 41 40 H472 H_AMI 0 0.0000 3.6380 4.2260 4.3750 38 0 0 0 41 41 Q4 PSEUD 0 0.0000 4.2200 4.5315 3.8515 0 0 0 0 0 42 N48 N_AMO 0 0.0000 3.4880 4.4800 1.1970 37 43 0 0 0 43 H48 H_AMI 0 0.0000 2.9030 4.3020 0.4440 42 0 0 0 0 44 H45 H_AMI 0 0.0000 1.5740 3.4070 3.5150 36 0 0 0 0 45 H441 H_ALI 0 0.0000 0.7610 4.2890 0.9580 35 0 0 0 47 46 H442 H_ALI 0 0.0000 1.4710 2.6650 0.7920 35 0 0 0 47 47 Q5 PSEUD 0 0.0000 1.1160 3.4770 0.8750 0 0 0 0 0 48 H431 H_ALI 0 0.0000 -0.1050 1.8010 2.5000 34 0 0 0 50 49 H432 H_ALI 0 0.0000 -0.8150 3.4250 2.6650 34 0 0 0 50 50 Q6 PSEUD 0 0.0000 -0.4600 2.6130 2.5825 0 0 0 0 0 51 H421 H_ALI 0 0.0000 -1.4640 3.3860 0.2730 33 0 0 0 53 52 H422 H_ALI 0 0.0000 -0.7550 1.7620 0.1070 33 0 0 0 53 53 Q7 PSEUD 0 0.0000 -1.1095 2.5740 0.1900 0 0 0 0 0 54 H11 H_ALI 0 0.0000 -3.0270 2.5440 1.9830 11 0 0 0 0 55 O41 O_BYL 0 0.0000 -4.6510 1.9270 0.2620 10 0 0 0 0 56 O40 O_BYL 0 0.0000 -3.7790 1.0200 -2.1010 9 0 0 0 0 57 H8 H_AMI 0 0.0000 -1.3880 -0.0270 -0.3910 8 0 0 0 0 58 C33 C_ALI 0 0.0000 -2.1660 -1.4400 -2.9850 7 59 73 74 0 59 C34 C_ARO 0 0.0000 -3.6500 -1.1870 -3.0510 58 60 64 0 0 60 C35 C_ARO 0 0.0000 -4.2230 -0.7340 -4.2250 59 61 63 0 0 61 C36 C_ARO 0 0.0000 -5.5840 -0.5020 -4.2860 60 62 66 0 0 62 H36 H_ALI 0 0.0000 -6.0310 -0.1480 -5.2030 61 0 0 0 71 63 H35 H_ALI 0 0.0000 -3.6060 -0.5620 -5.0950 60 0 0 0 70 64 C39 C_ARO 0 0.0000 -4.4400 -1.4120 -1.9390 59 65 69 0 0 65 C38 C_ARO 0 0.0000 -5.8010 -1.1750 -1.9990 64 66 68 0 0 66 C37 C_ARO 0 0.0000 -6.3730 -0.7220 -3.1730 61 65 67 0 0 67 H37 H_ALI 0 0.0000 -7.4360 -0.5400 -3.2200 66 0 0 0 0 68 H38 H_ALI 0 0.0000 -6.4170 -1.3470 -1.1290 65 0 0 0 71 69 H39 H_ALI 0 0.0000 -3.9930 -1.7660 -1.0220 64 0 0 0 70 70 Q13 PSEUD 0 0.0000 -3.7995 -1.1640 -3.0585 0 0 0 0 72 71 Q14 PSEUD 0 0.0000 -6.2240 -0.7475 -3.1660 0 0 0 0 72 72 QQB PSEUD 0 0.0000 -5.0118 -0.9557 -3.1122 0 0 0 0 0 73 H331 H_ALI 0 0.0000 -1.8040 -1.7370 -3.9690 58 0 0 0 75 74 H332 H_ALI 0 0.0000 -1.9650 -2.2360 -2.2680 58 0 0 0 75 75 Q8 PSEUD 0 0.0000 -1.8845 -1.9865 -3.1185 0 0 0 0 0 76 H7 H_ALI 0 0.0000 -1.6520 0.6420 -3.2450 7 0 0 0 0 77 O32 O_BYL 0 0.0000 0.6600 -0.0030 -1.5230 6 0 0 0 0 78 H5 H_AMI 0 0.0000 0.2420 -1.1550 -4.3630 5 0 0 0 0 79 C24 C_ALI 0 0.0000 3.0890 -0.8710 -3.2980 4 80 95 96 0 80 C25 C_ARO 0 0.0000 3.1190 -0.2750 -4.6820 79 81 85 0 0 81 C26 C_ARO 0 0.0000 2.4460 0.9030 -4.9410 80 82 84 0 0 82 C27 C_ARO 0 0.0000 2.4720 1.4510 -6.2090 81 83 87 0 0 83 H27 H_ALI 0 0.0000 1.9450 2.3720 -6.4110 82 0 0 0 93 84 H26 H_ALI 0 0.0000 1.8990 1.3970 -4.1520 81 0 0 0 92 85 C30 C_ARO 0 0.0000 3.8240 -0.9070 -5.6900 80 86 91 0 0 86 C29 C_ARO 0 0.0000 3.8490 -0.3660 -6.9610 85 87 90 0 0 87 C28 C_ARO 0 0.0000 3.1740 0.8160 -7.2230 82 86 88 0 0 88 O31 O_HYD 0 0.0000 3.2010 1.3530 -8.4720 87 89 0 0 0 89 H31 H_OXY 0 0.0000 3.9650 1.9450 -8.5050 88 0 0 0 0 90 H29 H_ALI 0 0.0000 4.3960 -0.8630 -7.7490 86 0 0 0 93 91 H30 H_ALI 0 0.0000 4.3500 -1.8280 -5.4850 85 0 0 0 92 92 Q11 PSEUD 0 0.0000 3.1245 -0.2155 -4.8185 0 0 0 0 94 93 Q12 PSEUD 0 0.0000 3.1705 0.7545 -7.0800 0 0 0 0 94 94 QQA PSEUD 0 0.0000 3.1475 0.2695 -5.9493 0 0 0 0 0 95 H241 H_ALI 0 0.0000 2.9920 -0.0730 -2.5620 79 0 0 0 97 96 H242 H_ALI 0 0.0000 4.0120 -1.4210 -3.1190 79 0 0 0 97 97 Q9 PSEUD 0 0.0000 3.5020 -0.7470 -2.8405 0 0 0 0 0 98 H4 H_ALI 0 0.0000 2.0230 -2.6250 -3.9180 4 0 0 0 0 99 H3 H_ALI 0 0.0000 1.4080 -3.4410 -1.7170 3 0 0 0 0 100 H2 H_ALI 0 0.0000 2.6770 -0.8420 -0.7390 2 0 0 0 0 101 O23 O_BYL 0 0.0000 1.6740 -3.6460 0.6460 1 0 0 0 0 102 N22 N_AMI 0 0.0000 2.5490 -1.8700 1.7100 1 103 104 0 0 103 H22 H_AMI 0 0.0000 2.8790 -0.9560 1.6820 102 0 0 0 0 104 C21 C_ALI 0 0.0000 2.4700 -2.6540 2.9630 102 105 106 108 0 105 H211 H_ALI 0 0.0000 3.4790 -2.9150 3.2930 104 0 0 0 107 106 H212 H_ALI 0 0.0000 1.9000 -3.5690 2.8030 104 0 0 0 107 107 Q10 PSEUD 0 0.0000 2.6895 -3.2420 3.0480 0 0 0 0 0 108 C20 C_ALI 0 0.0000 1.7910 -1.8080 4.0430 28 104 109 110 0 109 H20 H_ALI 0 0.0000 2.2980 -0.8470 4.1200 108 0 0 0 0 110 N51 N_AMI 0 0.0000 1.8760 -2.5130 5.3260 108 111 112 0 0 111 H51 H_AMI 0 0.0000 1.1730 -3.1270 5.5890 110 0 0 0 0 112 C52 C_BYL 0 0.0000 2.9310 -2.3070 6.1390 110 113 114 0 0 113 H52 H_ALI 0 0.0000 2.9940 -2.8260 7.0840 112 0 0 0 0 114 O53 O_BYL 0 0.0000 3.8100 -1.5390 5.8100 112 0 0 0 0