REMARK This residue is converted from PDB Protein Databank automatically.The original name of this chemical component in PDB is = "[2,4,6-TRIISOPROPYL-PHENYLSULFONYL-L-[3-AMIDINO-PHENYLALANINYL]]-N'-BETA-ALANINYL-PIPERAZINE" RESIDUE UKP 27 112 1 112 1 CHI1 0 0 0.0000 52 1 2 3 51 2 CHI2 0 0 0.0000 1 2 3 4 49 3 CHI3 0 0 0.0000 3 4 7 8 19 4 CHI4 0 0 0.0000 4 7 8 9 12 5 CHI5 0 0 0.0000 4 7 13 14 17 6 CHI6 0 0 0.0000 5 22 23 24 34 7 CHI7 0 0 0.0000 22 23 24 25 28 8 CHI8 0 0 0.0000 22 23 29 30 33 9 CHI9 0 0 0.0000 3 20 37 38 49 10 CHI10 0 0 0.0000 20 37 38 39 42 11 CHI11 0 0 0.0000 20 37 43 44 47 12 PHI1 0 0 0.0000 2 1 53 79 0 13 CHI12 0 0 0.0000 1 53 54 55 77 14 CHI13 0 0 0.0000 53 54 55 56 72 15 CHI14 0 0 0.0000 56 57 58 59 64 16 CHI15 0 0 0.0000 57 58 59 60 62 17 PHI2 0 0 0.0000 1 53 79 81 0 18 PHI3 0 0 0.0000 53 79 81 90 0 19 CHI16 0 0 0.0000 79 81 82 83 89 20 CHI17 0 0 0.0000 81 82 83 84 86 21 PHI4 0 0 0.0000 79 81 90 94 0 22 PHI5 0 0 0.0000 81 90 94 98 0 23 PHI6 0 0 0.0000 90 94 98 99 0 24 PHI7 0 0 0.0000 94 98 99 101 0 25 PHI8 0 0 0.0000 98 99 101 105 0 26 PHI9 0 0 0.0000 99 101 105 109 0 27 PHI10 0 0 0.0000 101 105 109 111 0 1 N N_AMI 0 0.0000 -0.2180 -1.8010 -1.9050 2 52 53 0 0 2 S S_XXX 0 0.0000 0.1940 -0.5340 -2.8880 1 3 50 51 35 3 C6 C_ARO 0 0.0000 1.5360 0.3110 -2.1210 2 4 20 0 0 4 C7 C_ARO 0 0.0000 2.8350 -0.1030 -2.3480 3 5 7 0 0 5 C8 C_ARO 0 0.0000 3.8880 0.5600 -1.7460 4 6 22 0 0 6 H81 H_ALI 0 0.0000 4.9030 0.2350 -1.9230 5 0 0 0 0 7 C12 C_ALI 0 0.0000 3.1030 -1.2790 -3.2510 4 8 13 19 0 8 C13 C_ALI 0 0.0000 3.5570 -0.7760 -4.6230 7 9 10 11 0 9 H131 H_ALI 0 0.0000 2.7750 -0.1540 -5.0580 8 0 0 0 12 10 H132 H_ALI 0 0.0000 4.4690 -0.1890 -4.5110 8 0 0 0 12 11 H133 H_ALI 0 0.0000 3.7510 -1.6270 -5.2760 8 0 0 0 12 12 Q1 PSEUD 0 0.0000 3.6650 -0.6567 -4.9483 0 0 0 0 18 13 C14 C_ALI 0 0.0000 4.2010 -2.1520 -2.6390 7 14 15 16 0 14 H141 H_ALI 0 0.0000 3.8770 -2.5110 -1.6620 13 0 0 0 17 15 H142 H_ALI 0 0.0000 4.3950 -3.0030 -3.2920 13 0 0 0 17 16 H143 H_ALI 0 0.0000 5.1120 -1.5650 -2.5270 13 0 0 0 17 17 Q2 PSEUD 0 0.0000 4.4613 -2.3597 -2.4937 0 0 0 0 18 18 QQA PSEUD 0 0.0000 4.0632 -1.5082 -3.7210 0 0 0 0 0 19 H121 H_ALI 0 0.0000 2.1920 -1.8670 -3.3630 7 0 0 0 0 20 C11 C_ARO 0 0.0000 1.2900 1.3900 -1.2930 3 21 37 0 0 21 C10 C_ARO 0 0.0000 2.3430 2.0510 -0.6870 20 22 36 0 0 22 C9 C_ARO 0 0.0000 3.6420 1.6390 -0.9180 5 21 23 0 0 23 C18 C_ALI 0 0.0000 4.7890 2.3620 -0.2620 22 24 29 34 0 24 C19 C_ALI 0 0.0000 4.7880 3.8270 -0.7030 23 25 26 27 0 25 H191 H_ALI 0 0.0000 5.6180 4.3500 -0.2280 24 0 0 0 28 26 H192 H_ALI 0 0.0000 4.8970 3.8800 -1.7860 24 0 0 0 28 27 H193 H_ALI 0 0.0000 3.8480 4.2940 -0.4090 24 0 0 0 28 28 Q3 PSEUD 0 0.0000 4.7877 4.1747 -0.8077 0 0 0 0 0 29 C20 C_ALI 0 0.0000 4.6370 2.2870 1.2580 23 30 31 32 0 30 H201 H_ALI 0 0.0000 3.6970 2.7550 1.5520 29 0 0 0 33 31 H202 H_ALI 0 0.0000 4.6380 1.2440 1.5720 29 0 0 0 33 32 H203 H_ALI 0 0.0000 5.4670 2.8110 1.7330 29 0 0 0 33 33 Q4 PSEUD 0 0.0000 4.6007 2.2700 1.6190 0 0 0 0 0 34 H181 H_ALI 0 0.0000 5.7290 1.8950 -0.5560 23 0 0 0 0 35 QQC PSEUD 0 0.0000 0.1940 -0.5340 -2.8880 0 0 0 0 0 36 H101 H_ALI 0 0.0000 2.1500 2.8940 -0.0400 21 0 0 0 0 37 C15 C_ALI 0 0.0000 -0.1250 1.8430 -1.0460 20 38 43 49 0 38 C16 C_ALI 0 0.0000 -0.2260 2.4660 0.3470 37 39 40 41 0 39 H161 H_ALI 0 0.0000 -1.2340 2.8500 0.5020 38 0 0 0 42 40 H162 H_ALI 0 0.0000 -0.0060 1.7090 1.1000 38 0 0 0 42 41 H163 H_ALI 0 0.0000 0.4900 3.2830 0.4330 38 0 0 0 42 42 Q5 PSEUD 0 0.0000 -0.2500 2.6140 0.6783 0 0 0 0 0 43 C17 C_ALI 0 0.0000 -0.5190 2.8810 -2.0980 37 44 45 46 48 44 H171 H_ALI 0 0.0000 0.1520 3.7370 -2.0330 43 0 0 0 47 45 H172 H_ALI 0 0.0000 -0.4480 2.4370 -3.0910 43 0 0 0 47 46 H173 H_ALI 0 0.0000 -1.5430 3.2090 -1.9190 43 0 0 0 47 47 Q6 PSEUD 0 0.0000 -0.6130 3.1277 -2.3477 0 0 0 0 0 48 QQB PSEUD 0 0.0000 1.0472 2.7472 -1.0490 0 0 0 0 48 49 H151 H_ALI 0 0.0000 -0.7970 0.9870 -1.1100 37 0 0 0 0 50 OS1 O_XXX 0 0.0000 -0.9040 0.3640 -2.8420 2 0 0 0 0 51 OS2 O_XXX 0 0.0000 0.7300 -1.1190 -4.0670 2 0 0 0 0 52 HN1 H_AMI 0 0.0000 -0.1570 -2.7110 -2.2350 1 0 0 0 0 53 CA C_ALI 0 0.0000 -0.6770 -1.5470 -0.5370 1 54 78 79 0 54 CB C_ALI 0 0.0000 -2.0940 -2.0980 -0.3640 53 55 75 76 0 55 CG1 C_ARO 0 0.0000 -3.0470 -1.3140 -1.2290 54 56 66 0 0 56 CD1 C_ARO 0 0.0000 -3.6740 -0.1940 -0.7220 55 57 65 0 0 57 CE1 C_ARO 0 0.0000 -4.5510 0.5340 -1.5260 56 58 68 0 0 58 CX C_BYL 0 0.0000 -5.2210 1.7400 -0.9910 57 59 63 0 0 59 NX1 N_AMO 0 0.0000 -6.0910 2.4550 -1.7850 58 60 61 0 0 60 HX11 H_AMI 0 0.0000 -6.5310 3.2450 -1.4340 59 0 0 0 62 61 HX12 H_AMI 0 0.0000 -6.2640 2.1670 -2.6950 59 0 0 0 62 62 Q7 PSEUD 0 0.0000 -6.3975 2.7060 -2.0645 0 0 0 0 0 63 NX2 N_AMO 0 0.0000 -4.9890 2.1260 0.2300 58 64 0 0 0 64 HX21 H_AMI 0 0.0000 -5.4280 2.9170 0.5810 63 0 0 0 0 65 HD11 H_ALI 0 0.0000 -3.4790 0.1220 0.2910 56 0 0 0 72 66 CD2 C_ARO 0 0.0000 -3.2960 -1.7210 -2.5270 55 67 71 0 0 67 CE2 C_ARO 0 0.0000 -4.1690 -1.0070 -3.3270 66 68 70 0 0 68 CZ C_ARO 0 0.0000 -4.7970 0.1180 -2.8340 57 67 69 0 0 69 HZ1 H_ALI 0 0.0000 -5.4790 0.6750 -3.4590 68 0 0 0 0 70 HE21 H_ALI 0 0.0000 -4.3590 -1.3300 -4.3400 67 0 0 0 73 71 HD21 H_ALI 0 0.0000 -2.8060 -2.6010 -2.9180 66 0 0 0 72 72 Q16 PSEUD 0 0.0000 -3.1425 -1.2395 -1.3135 0 0 0 0 74 73 Q17 PSEUD 0 0.0000 -4.3590 -1.3300 -4.3400 0 0 0 0 74 74 QQD PSEUD 0 0.0000 -3.7508 -1.2847 -2.8268 0 0 0 0 0 75 HCB1 H_ALI 0 0.0000 -2.1140 -3.1470 -0.6590 54 0 0 0 77 76 HCB2 H_ALI 0 0.0000 -2.3930 -2.0080 0.6790 54 0 0 0 77 77 Q8 PSEUD 0 0.0000 -2.2535 -2.5775 0.0100 0 0 0 0 0 78 HA1 H_ALI 0 0.0000 -0.6780 -0.4740 -0.3480 53 0 0 0 0 79 C C_BYL 0 0.0000 0.2480 -2.2280 0.4360 53 80 81 0 0 80 O O_BYL 0 0.0000 1.1270 -2.9580 0.0290 79 0 0 0 0 81 N1 N_AMI 0 0.0000 0.1000 -2.0260 1.7610 79 82 90 0 0 82 C5 C_ALI 0 0.0000 -0.9410 -1.1210 2.2670 81 83 87 88 0 83 C4 C_ALI 0 0.0000 -0.2870 -0.0640 3.1590 82 84 85 98 0 84 H41 H_ALI 0 0.0000 -1.0570 0.4900 3.6940 83 0 0 0 86 85 H42 H_ALI 0 0.0000 0.2980 0.6170 2.5430 83 0 0 0 86 86 Q9 PSEUD 0 0.0000 -0.3795 0.5535 3.1185 0 0 0 0 0 87 H51 H_ALI 0 0.0000 -1.4420 -0.6350 1.4310 82 0 0 0 89 88 H52 H_ALI 0 0.0000 -1.6640 -1.6940 2.8480 82 0 0 0 89 89 Q10 PSEUD 0 0.0000 -1.5530 -1.1645 2.1395 0 0 0 0 0 90 C1 C_ALI 0 0.0000 0.9810 -2.7010 2.7240 81 91 92 94 0 91 H11 H_ALI 0 0.0000 0.3950 -3.3840 3.3390 90 0 0 0 93 92 H12 H_ALI 0 0.0000 1.7510 -3.2570 2.1880 90 0 0 0 93 93 Q11 PSEUD 0 0.0000 1.0730 -3.3205 2.7635 0 0 0 0 0 94 C2 C_ALI 0 0.0000 1.6380 -1.6400 3.6150 90 95 96 98 0 95 H21 H_ALI 0 0.0000 2.1400 -2.1250 4.4520 94 0 0 0 97 96 H22 H_ALI 0 0.0000 2.3610 -1.0700 3.0320 94 0 0 0 97 97 Q12 PSEUD 0 0.0000 2.2505 -1.5975 3.7420 0 0 0 0 0 98 N2 N_AMI 0 0.0000 0.5930 -0.7400 4.1220 83 94 99 0 0 99 C21 C_BYL 0 0.0000 0.4450 -0.5380 5.4460 98 100 101 0 0 100 O1 O_BYL 0 0.0000 1.1770 -1.1010 6.2310 99 0 0 0 0 101 C22 C_ALI 0 0.0000 -0.6310 0.3870 5.9510 99 102 103 105 0 102 H221 H_ALI 0 0.0000 -0.4680 1.3870 5.5490 101 0 0 0 104 103 H222 H_ALI 0 0.0000 -1.6060 0.0210 5.6300 101 0 0 0 104 104 Q13 PSEUD 0 0.0000 -1.0370 0.7040 5.5895 0 0 0 0 0 105 C23 C_ALI 0 0.0000 -0.5840 0.4390 7.4790 101 106 107 109 0 106 H231 H_ALI 0 0.0000 -0.7460 -0.5600 7.8820 105 0 0 0 108 107 H232 H_ALI 0 0.0000 0.3900 0.8050 7.8010 105 0 0 0 108 108 Q14 PSEUD 0 0.0000 -0.1780 0.1225 7.8415 0 0 0 0 0 109 N24 N_AMI 0 0.0000 -1.6330 1.3410 7.9720 105 110 111 0 0 110 H241 H_AMI 0 0.0000 -1.5640 1.3440 8.9780 109 0 0 0 112 111 H242 H_AMI 0 0.0000 -1.3860 2.2690 7.6620 109 0 0 0 112 112 Q15 PSEUD 0 0.0000 -1.4750 1.8065 8.3200 0 0 0 0 0