REMARK This residue is converted from PDB Protein Databank automatically.The original name of this chemical component in PDB is = N-{(5S)-5-[{[4-(AMINOMETHYL)PHENYL]SULFONYL}(ISOBUTYL)AMINO]-6-HYDROXYHEXYL}-NALPHA-(METHOXYCARBONYL)-BETA-PHENYL-L-PHENYLALANINAMIDE
RESIDUE MUW 25 112 1 112
1 CHI1 0 0 0.0000 1 2 4 5 22
2 CHI2 0 0 0.0000 6 11 12 13 19
3 CHI3 0 0 0.0000 11 12 13 14 16
4 PHI1 0 0 0.0000 1 2 25 43 0
5 CHI4 0 0 0.0000 2 25 26 27 42
6 CHI5 0 0 0.0000 25 26 27 28 39
7 CHI6 0 0 0.0000 26 27 28 29 32
8 CHI7 0 0 0.0000 26 27 33 34 37
9 PHI2 0 0 0.0000 2 25 43 51 0
10 CHI8 0 0 0.0000 25 43 44 45 49
11 CHI9 0 0 0.0000 43 44 45 46 46
12 PHI3 0 0 0.0000 25 43 51 55 0
13 PHI4 0 0 0.0000 43 51 55 59 0
14 PHI5 0 0 0.0000 51 55 59 63 0
15 PHI6 0 0 0.0000 55 59 63 67 0
16 PHI7 0 0 0.0000 59 63 67 69 0
17 PHI8 0 0 0.0000 63 67 69 71 0
18 PHI9 0 0 0.0000 67 69 71 83 0
19 CHI10 0 0 0.0000 69 71 72 73 81
20 CHI11 0 0 0.0000 71 72 73 74 80
21 CHI12 0 0 0.0000 72 73 74 75 79
22 CHI13 0 0 0.0000 73 74 75 76 79
23 PHI10 0 0 0.0000 69 71 83 99 0
24 CHI14 0 0 0.0000 71 83 84 85 95
25 PHI11 0 0 0.0000 71 83 99 108 0
1 O9 O_XXX 0 0.0000 -6.1140 1.1940 1.0400 2 0 0 0 0
2 S7 S_XXX 0 0.0000 -5.3230 1.0580 -0.1320 1 3 4 25 0
3 O8 O_XXX 0 0.0000 -5.7530 1.4920 -1.4150 2 0 0 0 0
4 C1 C_ARO 0 0.0000 -3.8060 1.8930 0.1930 2 5 9 0 0
5 C2 C_ARO 0 0.0000 -3.0380 2.3640 -0.8560 4 6 8 0 0
6 C3 C_ARO 0 0.0000 -1.8470 3.0190 -0.6010 5 7 11 0 0
7 H3 H_ALI 0 0.0000 -1.2470 3.3860 -1.4210 6 0 0 0 23
8 H2 H_ALI 0 0.0000 -3.3670 2.2190 -1.8740 5 0 0 0 22
9 C6 C_ARO 0 0.0000 -3.3860 2.0830 1.4960 4 10 21 0 0
10 C5 C_ARO 0 0.0000 -2.1940 2.7350 1.7510 9 11 20 0 0
11 C4 C_ARO 0 0.0000 -1.4250 3.2040 0.7020 6 10 12 0 0
12 C15 C_ALI 0 0.0000 -0.1280 3.9180 0.9800 11 13 17 18 0
13 N45 N_AMO 0 0.0000 -0.3810 5.3590 1.1170 12 14 15 0 0
14 H451 H_AMI 0 0.0000 0.4750 5.8600 1.3030 13 0 0 0 16
15 H452 H_AMI 0 0.0000 -0.8420 5.7240 0.2970 13 0 0 0 16
16 Q1 PSEUD 0 0.0000 -0.1835 5.7920 0.8000 0 0 0 0 0
17 H151 H_ALI 0 0.0000 0.3070 3.5360 1.9030 12 0 0 0 19
18 H152 H_ALI 0 0.0000 0.5640 3.7480 0.1550 12 0 0 0 19
19 Q2 PSEUD 0 0.0000 0.4355 3.6420 1.0290 0 0 0 0 0
20 H5 H_ALI 0 0.0000 -1.8650 2.8800 2.7690 10 0 0 0 23
21 H6 H_ALI 0 0.0000 -3.9890 1.7200 2.3160 9 0 0 0 22
22 Q12 PSEUD 0 0.0000 -3.6780 1.9695 0.2210 0 0 0 0 24
23 Q13 PSEUD 0 0.0000 -1.5560 3.1330 0.6740 0 0 0 0 24
24 QQB PSEUD 0 0.0000 -2.6170 2.5512 0.4475 0 0 0 0 0
25 N10 N_AMI 0 0.0000 -4.9730 -0.5540 -0.2760 2 26 43 0 0
26 C11 C_ALI 0 0.0000 -4.9770 -1.4140 0.9100 25 27 40 41 0
27 C12 C_ALI 0 0.0000 -6.3910 -1.4730 1.4920 26 28 33 39 0
28 C13 C_ALI 0 0.0000 -7.3560 -2.0110 0.4340 27 29 30 31 0
29 H131 H_ALI 0 0.0000 -8.3550 -2.0950 0.8630 28 0 0 0 32
30 H132 H_ALI 0 0.0000 -7.3810 -1.3300 -0.4160 28 0 0 0 32
31 H133 H_ALI 0 0.0000 -7.0200 -2.9940 0.1020 28 0 0 0 32
32 Q3 PSEUD 0 0.0000 -7.5853 -2.1397 0.1830 0 0 0 0 38
33 C14 C_ALI 0 0.0000 -6.4020 -2.3970 2.7110 27 34 35 36 0
34 H141 H_ALI 0 0.0000 -5.7150 -2.0130 3.4650 33 0 0 0 37
35 H142 H_ALI 0 0.0000 -7.4100 -2.4400 3.1260 33 0 0 0 37
36 H143 H_ALI 0 0.0000 -6.0910 -3.3980 2.4110 33 0 0 0 37
37 Q4 PSEUD 0 0.0000 -6.4053 -2.6170 3.0007 0 0 0 0 38
38 QQA PSEUD 0 0.0000 -6.9953 -2.3783 1.5918 0 0 0 0 0
39 H12 H_ALI 0 0.0000 -6.7030 -0.4720 1.7920 27 0 0 0 0
40 H111 H_ALI 0 0.0000 -4.6570 -2.4180 0.6320 26 0 0 0 42
41 H112 H_ALI 0 0.0000 -4.2940 -1.0070 1.6550 26 0 0 0 42
42 Q5 PSEUD 0 0.0000 -4.4755 -1.7125 1.1435 0 0 0 0 0
43 C16 C_ALI 0 0.0000 -4.6610 -1.1210 -1.5910 25 44 50 51 0
44 C22 C_ALI 0 0.0000 -5.6360 -2.2580 -1.9010 43 45 47 48 0
45 O23 O_HYD 0 0.0000 -5.4110 -3.3390 -0.9940 44 46 0 0 0
46 HO23 H_OXY 0 0.0000 -5.9310 -4.1310 -1.1890 45 0 0 0 0
47 H221 H_ALI 0 0.0000 -6.6590 -1.8990 -1.7910 44 0 0 0 49
48 H222 H_ALI 0 0.0000 -5.4790 -2.6020 -2.9230 44 0 0 0 49
49 Q6 PSEUD 0 0.0000 -6.0690 -2.2505 -2.3570 0 0 0 0 0
50 H16 H_ALI 0 0.0000 -4.7520 -0.3460 -2.3520 43 0 0 0 0
51 C17 C_ALI 0 0.0000 -3.2300 -1.6630 -1.5840 43 52 53 55 0
52 H171 H_ALI 0 0.0000 -3.1150 -2.3740 -0.7660 51 0 0 0 54
53 H172 H_ALI 0 0.0000 -3.0270 -2.1640 -2.5310 51 0 0 0 54
54 Q7 PSEUD 0 0.0000 -3.0710 -2.2690 -1.6485 0 0 0 0 0
55 C18 C_ALI 0 0.0000 -2.2470 -0.5060 -1.3980 51 56 57 59 0
56 H181 H_ALI 0 0.0000 -2.3620 0.2040 -2.2170 55 0 0 0 58
57 H182 H_ALI 0 0.0000 -2.4490 -0.0060 -0.4510 55 0 0 0 58
58 Q8 PSEUD 0 0.0000 -2.4055 0.0990 -1.3340 0 0 0 0 0
59 C19 C_ALI 0 0.0000 -0.8160 -1.0490 -1.3920 55 60 61 63 0
60 H191 H_ALI 0 0.0000 -0.7000 -1.7600 -0.5730 59 0 0 0 62
61 H192 H_ALI 0 0.0000 -0.6130 -1.5490 -2.3390 59 0 0 0 62
62 Q9 PSEUD 0 0.0000 -0.6565 -1.6545 -1.4560 0 0 0 0 0
63 C20 C_ALI 0 0.0000 0.1680 0.1080 -1.2060 59 64 65 67 0
64 H201 H_ALI 0 0.0000 0.0520 0.8190 -2.0240 63 0 0 0 66
65 H202 H_ALI 0 0.0000 -0.0350 0.6080 -0.2590 63 0 0 0 66
66 Q10 PSEUD 0 0.0000 0.0085 0.7135 -1.1415 0 0 0 0 0
67 N21 N_AMI 0 0.0000 1.5370 -0.4120 -1.2000 63 68 69 0 0
68 HN21 H_AMI 0 0.0000 1.6960 -1.3630 -1.3050 67 0 0 0 0
69 C39 C_BYL 0 0.0000 2.5770 0.4320 -1.0480 67 70 71 0 0
70 O40 O_BYL 0 0.0000 2.3790 1.6210 -0.9160 69 0 0 0 0
71 C37 C_ALI 0 0.0000 3.9860 -0.1020 -1.0420 69 72 82 83 0
72 N38 N_AMO 0 0.0000 4.9220 0.9840 -1.3420 71 73 81 0 0
73 C41 C_BYL 0 0.0000 4.9800 2.0650 -0.5390 72 74 80 0 0
74 O42 O_EST 0 0.0000 5.8400 3.0630 -0.8160 73 75 0 0 0
75 C44 C_ALI 0 0.0000 5.8490 4.1960 0.0920 74 76 77 78 0
76 H441 H_ALI 0 0.0000 6.5840 4.9260 -0.2450 75 0 0 0 79
77 H442 H_ALI 0 0.0000 4.8610 4.6560 0.1080 75 0 0 0 79
78 H443 H_ALI 0 0.0000 6.1070 3.8560 1.0950 75 0 0 0 79
79 Q11 PSEUD 0 0.0000 5.8507 4.4793 0.3193 0 0 0 0 0
80 O43 O_BYL 0 0.0000 4.2570 2.1380 0.4340 73 0 0 0 0
81 HN38 H_AMI 0 0.0000 5.5000 0.9250 -2.1200 72 0 0 0 0
82 H37 H_ALI 0 0.0000 4.0820 -0.8830 -1.7960 71 0 0 0 0
83 C30 C_ALI 0 0.0000 4.3060 -0.6830 0.3370 71 84 98 99 0
84 C24 C_ARO 0 0.0000 3.3430 -1.8010 0.6460 83 85 89 0 0
85 C25 C_ARO 0 0.0000 2.5880 -1.7620 1.8040 84 86 88 0 0
86 C26 C_ARO 0 0.0000 1.7050 -2.7870 2.0870 85 87 91 0 0
87 H26 H_ALI 0 0.0000 1.1150 -2.7570 2.9920 86 0 0 0 96
88 H25 H_ALI 0 0.0000 2.6880 -0.9310 2.4860 85 0 0 0 95
89 C29 C_ARO 0 0.0000 3.2110 -2.8620 -0.2300 84 90 94 0 0
90 C28 C_ARO 0 0.0000 2.3320 -3.8890 0.0560 89 91 93 0 0
91 C27 C_ARO 0 0.0000 1.5770 -3.8510 1.2140 86 90 92 0 0
92 H27 H_ALI 0 0.0000 0.8880 -4.6520 1.4360 91 0 0 0 0
93 H28 H_ALI 0 0.0000 2.2320 -4.7200 -0.6260 90 0 0 0 96
94 H29 H_ALI 0 0.0000 3.7980 -2.8900 -1.1360 89 0 0 0 95
95 Q14 PSEUD 0 0.0000 3.2430 -1.9105 0.6750 0 0 0 0 97
96 Q15 PSEUD 0 0.0000 1.6735 -3.7385 1.1830 0 0 0 0 97
97 QQC PSEUD 0 0.0000 2.4583 -2.8245 0.9290 0 0 0 0 0
98 H30 H_ALI 0 0.0000 4.2100 0.0980 1.0910 83 0 0 0 0
99 C31 C_ARO 0 0.0000 5.7150 -1.2180 0.3430 83 100 108 0 0
100 C32 C_ARO 0 0.0000 6.1290 -2.0860 -0.6500 99 101 107 0 0
101 C33 C_ARO 0 0.0000 7.4220 -2.5760 -0.6440 100 102 106 0 0
102 C34 C_ARO 0 0.0000 8.3000 -2.1980 0.3540 101 103 105 0 0
103 C35 C_ARO 0 0.0000 7.8860 -1.3290 1.3470 102 104 108 0 0
104 H35 H_ALI 0 0.0000 8.5720 -1.0350 2.1270 103 0 0 0 111
105 H34 H_ALI 0 0.0000 9.3090 -2.5820 0.3590 102 0 0 0 0
106 H33 H_ALI 0 0.0000 7.7450 -3.2540 -1.4200 101 0 0 0 111
107 H32 H_ALI 0 0.0000 5.4430 -2.3810 -1.4300 100 0 0 0 110
108 C36 C_ARO 0 0.0000 6.5950 -0.8360 1.3390 99 103 109 0 0
109 H36 H_ALI 0 0.0000 6.2720 -0.1540 2.1120 108 0 0 0 110
110 Q16 PSEUD 0 0.0000 5.8575 -1.2675 0.3410 0 0 0 0 112
111 Q17 PSEUD 0 0.0000 8.1585 -2.1445 0.3535 0 0 0 0 112
112 QQD PSEUD 0 0.0000 7.0080 -1.7060 0.3473 0 0 0 0 0