REMARK This residue is converted from PDB Protein Databank automatically.The original name of this chemical component in PDB is = "CALICHEAMICIN GAMMA-1-I" RESIDUE CCI 49 134 1 134 1 CHI1 0 0 0.0000 14 1 2 3 13 2 CHI2 0 0 0.0000 1 2 3 4 10 3 CHI3 0 0 0.0000 2 3 4 5 9 4 CHI4 0 0 0.0000 3 4 5 6 9 5 CHI5 0 0 0.0000 1 2 11 12 12 6 CHI6 0 0 0.0000 2 1 14 15 25 7 CHI7 0 0 0.0000 1 14 15 16 25 8 CHI8 0 0 0.0000 14 15 16 17 19 9 CHI9 0 0 0.0000 15 16 17 18 18 10 CHI10 0 0 0.0000 14 15 20 21 24 11 PHI1 0 0 0.0000 2 1 27 28 0 12 PHI2 0 0 0.0000 1 27 28 43 0 13 CHI11 0 0 0.0000 29 30 31 32 36 14 CHI12 0 0 0.0000 30 31 32 33 36 15 CHI13 0 0 0.0000 28 29 37 38 42 16 CHI14 0 0 0.0000 29 37 38 39 42 17 CHI15 0 0 0.0000 43 45 46 47 50 18 PHI3 0 0 0.0000 30 51 52 54 0 19 PHI4 0 0 0.0000 51 52 54 55 0 20 PHI5 0 0 0.0000 52 54 55 64 0 21 CHI16 0 0 0.0000 54 55 56 57 62 22 CHI17 0 0 0.0000 55 56 57 58 61 23 PHI6 0 0 0.0000 54 55 64 68 0 24 CHI18 0 0 0.0000 55 64 65 66 66 25 PHI7 0 0 0.0000 55 64 68 72 0 26 PHI8 0 0 0.0000 64 68 72 75 0 27 PHI9 0 0 0.0000 68 72 75 76 0 28 PHI10 0 0 0.0000 72 75 76 78 0 29 PHI11 0 0 0.0000 75 76 78 96 0 30 CHI19 0 0 0.0000 76 78 79 80 94 31 CHI20 0 0 0.0000 78 79 80 81 84 32 CHI21 0 0 0.0000 78 79 85 86 93 33 CHI22 0 0 0.0000 79 85 86 87 93 34 CHI23 0 0 0.0000 85 86 87 88 92 35 CHI24 0 0 0.0000 86 87 88 89 92 36 PHI12 0 0 0.0000 76 78 96 100 0 37 CHI25 0 0 0.0000 78 96 97 98 98 38 PHI13 0 0 0.0000 78 96 100 102 0 39 PHI14 0 0 0.0000 96 100 102 103 0 40 PHI15 0 0 0.0000 100 102 103 134 0 41 CHI26 0 0 0.0000 102 103 104 105 132 42 CHI27 0 0 0.0000 103 104 105 106 129 43 CHI28 0 0 0.0000 104 105 106 107 122 44 CHI29 0 0 0.0000 105 106 107 108 110 45 CHI30 0 0 0.0000 105 106 111 112 121 46 CHI31 0 0 0.0000 106 111 112 113 120 47 CHI32 0 0 0.0000 111 112 113 114 117 48 CHI33 0 0 0.0000 104 105 123 124 128 49 CHI34 0 0 0.0000 105 123 124 125 128 1 C1D C_ALI 0 0.0000 -8.1310 1.5480 0.7330 2 14 26 27 0 2 C2D C_ALI 0 0.0000 -9.1920 2.6420 0.5960 1 3 11 13 0 3 C3D C_ALI 0 0.0000 -10.5260 2.0000 0.2050 2 4 10 16 0 4 O3D O_EST 0 0.0000 -11.5590 2.9870 0.2190 3 5 0 0 0 5 C7D C_ALI 0 0.0000 -11.6200 3.5400 -1.0970 4 6 7 8 0 6 H7D1 H_ALI 0 0.0000 -10.6590 3.9890 -1.3470 5 0 0 0 9 7 H7D2 H_ALI 0 0.0000 -11.8490 2.7500 -1.8130 5 0 0 0 9 8 H7D3 H_ALI 0 0.0000 -12.3990 4.3020 -1.1360 5 0 0 0 9 9 Q1 PSEUD 0 0.0000 -11.6357 3.6803 -1.4320 0 0 0 0 0 10 H3D H_ALI 0 0.0000 -10.4460 1.5680 -0.7920 3 0 0 0 0 11 O2D O_HYD 0 0.0000 -9.3380 3.3270 1.8420 2 12 0 0 0 12 HOD2 H_OXY 0 0.0000 -8.4770 3.7150 2.0500 11 0 0 0 0 13 H2D H_ALI 0 0.0000 -8.8870 3.3490 -0.1750 2 0 0 0 0 14 OD O_EST 0 0.0000 -8.5110 0.6340 1.7600 1 15 0 0 0 15 C5D C_ALI 0 0.0000 -9.6690 -0.0660 1.3080 14 16 20 25 0 16 C4D C_ALI 0 0.0000 -10.8540 0.8970 1.2180 3 15 17 19 0 17 O4D O_HYD 0 0.0000 -12.0180 0.1850 0.7920 16 18 0 0 0 18 HOD4 H_OXY 0 0.0000 -12.1830 -0.5010 1.4530 17 0 0 0 0 19 H4D H_ALI 0 0.0000 -11.0370 1.3430 2.1960 16 0 0 0 0 20 C6D C_ALI 0 0.0000 -10.0010 -1.1890 2.2930 15 21 22 23 0 21 H6D1 H_ALI 0 0.0000 -10.3100 -0.7570 3.2450 20 0 0 0 24 22 H6D2 H_ALI 0 0.0000 -10.8110 -1.7980 1.8910 20 0 0 0 24 23 H6D3 H_ALI 0 0.0000 -9.1190 -1.8120 2.4450 20 0 0 0 24 24 Q2 PSEUD 0 0.0000 -10.0800 -1.4557 2.5270 0 0 0 0 0 25 H5D H_ALI 0 0.0000 -9.4730 -0.4930 0.3250 15 0 0 0 0 26 H1D H_ALI 0 0.0000 -7.1730 2.0010 0.9880 1 0 0 0 0 27 OCD O_EST 0 0.0000 -8.0090 0.8460 -0.5060 1 28 0 0 0 28 C4C C_ARO 0 0.0000 -6.7040 0.4940 -0.6320 27 29 43 0 0 29 C5C C_ARO 0 0.0000 -5.7710 1.4320 -1.0590 28 30 37 0 0 30 C6C C_ARO 0 0.0000 -4.4350 1.0760 -1.1810 29 31 51 0 0 31 O6C O_EST 0 0.0000 -3.5220 1.9900 -1.5980 30 32 0 0 0 32 C9C C_ALI 0 0.0000 -2.9800 2.5980 -0.4240 31 33 34 35 0 33 H9C1 H_ALI 0 0.0000 -2.5900 1.8250 0.2380 32 0 0 0 36 34 H9C2 H_ALI 0 0.0000 -2.1750 3.2770 -0.7050 32 0 0 0 36 35 H9C3 H_ALI 0 0.0000 -3.7630 3.1550 0.0900 32 0 0 0 36 36 Q3 PSEUD 0 0.0000 -2.8427 2.7523 -0.1257 0 0 0 0 0 37 O5C O_EST 0 0.0000 -6.1670 2.7010 -1.3510 29 38 0 0 0 38 C8C C_ALI 0 0.0000 -6.6100 2.6940 -2.7090 37 39 40 41 0 39 H8C1 H_ALI 0 0.0000 -7.3810 1.9330 -2.8360 38 0 0 0 42 40 H8C2 H_ALI 0 0.0000 -7.0190 3.6710 -2.9630 38 0 0 0 42 41 H8C3 H_ALI 0 0.0000 -5.7680 2.4700 -3.3650 38 0 0 0 42 42 Q4 PSEUD 0 0.0000 -6.7227 2.6913 -3.0547 0 0 0 0 0 43 C3C C_ARO 0 0.0000 -6.3040 -0.8040 -0.3320 28 44 45 0 0 44 I X_XXX 0 0.0000 -7.7190 -2.2090 0.3120 43 0 0 0 0 45 C2C C_ARO 0 0.0000 -4.9830 -1.1700 -0.4560 43 46 51 0 0 46 C7C C_ALI 0 0.0000 -4.5570 -2.5780 -0.1290 45 47 48 49 0 47 H7C1 H_ALI 0 0.0000 -4.3770 -2.6640 0.9430 46 0 0 0 50 48 H7C2 H_ALI 0 0.0000 -5.3440 -3.2730 -0.4220 46 0 0 0 50 49 H7C3 H_ALI 0 0.0000 -3.6420 -2.8160 -0.6710 46 0 0 0 50 50 Q5 PSEUD 0 0.0000 -4.4543 -2.9177 -0.0500 0 0 0 0 0 51 C1C C_ARO 0 0.0000 -4.0350 -0.2350 -0.8840 30 45 52 0 0 52 CBC C_BYL 0 0.0000 -2.6200 -0.6230 -1.0170 51 53 54 0 0 53 OBC O_BYL 0 0.0000 -2.1830 -0.9670 -2.0990 52 0 0 0 0 54 SBC S_RED 0 0.0000 -1.5620 -0.5910 0.3910 52 55 0 0 0 55 C4B C_ALI 0 0.0000 0.0100 -1.0390 -0.3870 54 56 63 64 0 56 C5B C_ALI 0 0.0000 1.0520 -1.3360 0.6940 55 57 62 73 0 57 C6B C_ALI 0 0.0000 0.5530 -2.4770 1.5820 56 58 59 60 0 58 H6B1 H_ALI 0 0.0000 0.3070 -3.3390 0.9630 57 0 0 0 61 59 H6B2 H_ALI 0 0.0000 1.3320 -2.7510 2.2940 57 0 0 0 61 60 H6B3 H_ALI 0 0.0000 -0.3360 -2.1530 2.1240 57 0 0 0 61 61 Q6 PSEUD 0 0.0000 0.4343 -2.7477 1.7937 0 0 0 0 0 62 H5B H_ALI 0 0.0000 1.2080 -0.4450 1.3020 56 0 0 0 0 63 H4B H_ALI 0 0.0000 -0.1300 -1.9220 -1.0100 55 0 0 0 0 64 C3B C_ALI 0 0.0000 0.5050 0.1260 -1.2510 55 65 67 68 0 65 O3B O_HYD 0 0.0000 0.5580 1.3200 -0.4680 64 66 0 0 0 66 HOB3 H_OXY 0 0.0000 0.8850 2.0210 -1.0480 65 0 0 0 0 67 H3B H_ALI 0 0.0000 -0.1720 0.2710 -2.0930 64 0 0 0 0 68 C2B C_ALI 0 0.0000 1.9070 -0.2100 -1.7720 64 69 70 72 0 69 H2B1 H_ALI 0 0.0000 2.3200 0.6530 -2.2930 68 0 0 0 71 70 H2B2 H_ALI 0 0.0000 1.8490 -1.0570 -2.4550 68 0 0 0 71 71 Q7 PSEUD 0 0.0000 2.0845 -0.2020 -2.3740 0 0 0 0 0 72 C1B C_ALI 0 0.0000 2.8060 -0.5700 -0.5860 68 73 74 75 0 73 OB O_EST 0 0.0000 2.2840 -1.7160 0.0840 56 72 0 0 0 74 H1B H_ALI 0 0.0000 2.8430 0.2700 0.1080 72 0 0 0 0 75 OAB O_EST 0 0.0000 4.1240 -0.8550 -1.0590 72 76 0 0 0 76 NAB N_AMI 0 0.0000 5.0470 -0.4780 0.0120 75 77 78 0 0 77 HAB H_AMI 0 0.0000 4.8730 -1.1080 0.7800 76 0 0 0 0 78 C4A C_ALI 0 0.0000 6.4020 -0.7710 -0.4760 76 79 95 96 0 79 C5A C_ALI 0 0.0000 6.7880 -2.2010 -0.0910 78 80 85 94 0 80 C6A C_ALI 0 0.0000 5.7800 -3.1810 -0.6950 79 81 82 83 0 81 H6A1 H_ALI 0 0.0000 5.7830 -3.0830 -1.7800 80 0 0 0 84 82 H6A2 H_ALI 0 0.0000 6.0540 -4.2000 -0.4210 80 0 0 0 84 83 H6A3 H_ALI 0 0.0000 4.7830 -2.9580 -0.3130 80 0 0 0 84 84 Q8 PSEUD 0 0.0000 5.5400 -3.4137 -0.8380 0 0 0 0 0 85 OA O_EST 0 0.0000 8.0920 -2.4990 -0.5860 79 86 0 0 0 86 C1A C_ALI 0 0.0000 9.0230 -1.6900 0.1290 85 87 93 100 0 87 ORA O_EST 0 0.0000 10.3540 -2.0840 -0.2100 86 88 0 0 0 88 CAN C_ALI 0 0.0000 10.5670 -3.3680 0.3790 87 89 90 91 0 89 HAN1 H_ALI 0 0.0000 11.5750 -3.7120 0.1460 88 0 0 0 92 90 HAN2 H_ALI 0 0.0000 10.4490 -3.2960 1.4600 88 0 0 0 92 91 HAN3 H_ALI 0 0.0000 9.8410 -4.0760 -0.0200 88 0 0 0 92 92 Q9 PSEUD 0 0.0000 10.6217 -3.6947 0.5287 0 0 0 0 0 93 H1A H_ALI 0 0.0000 8.8690 -1.8200 1.2000 86 0 0 0 0 94 H5A H_ALI 0 0.0000 6.7820 -2.2980 0.9950 79 0 0 0 0 95 H4A H_ALI 0 0.0000 6.4290 -0.6660 -1.5600 78 0 0 0 0 96 C3A C_ALI 0 0.0000 7.3980 0.2040 0.1600 78 97 99 100 0 97 O3A O_HYD 0 0.0000 7.1430 1.5290 -0.3090 96 98 0 0 0 98 HOA3 H_OXY 0 0.0000 7.7770 2.1100 0.1340 97 0 0 0 0 99 H3A H_ALI 0 0.0000 7.2970 0.1740 1.2450 96 0 0 0 0 100 C2A C_ALI 0 0.0000 8.8180 -0.2180 -0.2360 86 96 101 102 0 101 H2A H_ALI 0 0.0000 8.9510 -0.0870 -1.3100 100 0 0 0 0 102 OEA O_EST 0 0.0000 9.7690 0.5860 0.4650 100 103 0 0 0 103 C1E C_ALI 0 0.0000 10.1910 1.6100 -0.4380 102 104 133 134 0 104 C2E C_ALI 0 0.0000 10.8970 2.7180 0.3460 103 105 130 131 0 105 C3E C_ALI 0 0.0000 12.1000 2.1210 1.0850 104 106 123 129 0 106 C4E C_ALI 0 0.0000 12.9760 1.3740 0.0730 105 107 111 122 0 107 C5E C_ALI 0 0.0000 12.1120 0.3670 -0.6900 106 108 109 134 0 108 H5E1 H_ALI 0 0.0000 12.7350 -0.1840 -1.3950 107 0 0 0 110 109 H5E2 H_ALI 0 0.0000 11.6610 -0.3310 0.0160 107 0 0 0 110 110 Q10 PSEUD 0 0.0000 12.1980 -0.2575 -0.6895 0 0 0 0 0 111 N4E N_AMO 0 0.0000 14.0490 0.6630 0.7820 106 112 121 0 0 112 C7E C_ALI 0 0.0000 15.1480 0.4930 -0.1780 111 113 118 119 0 113 C8E C_ALI 0 0.0000 16.3060 -0.2450 0.4990 112 114 115 116 0 114 H8E1 H_ALI 0 0.0000 16.6560 0.3350 1.3530 113 0 0 0 117 115 H8E2 H_ALI 0 0.0000 15.9650 -1.2230 0.8380 113 0 0 0 117 116 H8E3 H_ALI 0 0.0000 17.1210 -0.3710 -0.2130 113 0 0 0 117 117 Q11 PSEUD 0 0.0000 16.5807 -0.4197 0.6593 0 0 0 0 0 118 H7E1 H_ALI 0 0.0000 15.4890 1.4710 -0.5170 112 0 0 0 120 119 H7E2 H_ALI 0 0.0000 14.7980 -0.0860 -1.0320 112 0 0 0 120 120 Q12 PSEUD 0 0.0000 15.1435 0.6925 -0.7745 0 0 0 0 0 121 HNE2 H_AMI 0 0.0000 13.6980 -0.2600 0.9880 111 0 0 0 0 122 H4E H_ALI 0 0.0000 13.4110 2.0860 -0.6280 106 0 0 0 0 123 O3E O_EST 0 0.0000 12.8530 3.1680 1.7000 105 124 0 0 0 124 C6E C_ALI 0 0.0000 12.3140 3.3500 3.0110 123 125 126 127 0 125 H6E1 H_ALI 0 0.0000 12.8600 4.1430 3.5210 124 0 0 0 128 126 H6E2 H_ALI 0 0.0000 11.2620 3.6230 2.9360 124 0 0 0 128 127 H6E3 H_ALI 0 0.0000 12.4100 2.4220 3.5750 124 0 0 0 128 128 Q13 PSEUD 0 0.0000 12.1773 3.3960 3.3440 0 0 0 0 0 129 H3E H_ALI 0 0.0000 11.7510 1.4250 1.8480 105 0 0 0 0 130 H2E1 H_ALI 0 0.0000 11.2410 3.4890 -0.3430 104 0 0 0 132 131 H2E2 H_ALI 0 0.0000 10.2050 3.1530 1.0660 104 0 0 0 132 132 Q14 PSEUD 0 0.0000 10.7230 3.3210 0.3615 0 0 0 0 0 133 H1E H_ALI 0 0.0000 9.3210 2.0240 -0.9480 103 0 0 0 0 134 OE O_EST 0 0.0000 11.0840 1.0540 -1.4010 103 107 0 0 0