REMARK This residue is converted from PDB Protein Databank automatically.The original name of this chemical component in PDB is = 3-{[4-(but-2-yn-1-yloxy)phenyl]sulfonyl}propane-1-thiol
RESIDUE A440 6 42 1 42
1 CHI1 0 0 0.0000 1 2 7 8 18
2 CHI2 0 0 0.0000 2 7 8 9 18
3 CHI3 0 0 0.0000 7 8 9 10 15
4 PHI1 0 0 0.0000 26 29 33 37 0
5 PHI2 0 0 0.0000 29 33 37 41 0
6 PHI3 0 0 0.0000 33 37 41 42 0
1 C C_ARO 0 0.0000 -1.9780 -0.0710 0.9220 2 19 20 0 0
2 C4 C_ARO 0 0.0000 -2.5770 -0.2080 -0.3220 1 3 7 0 0
3 C3 C_ARO 0 0.0000 -1.8220 -0.6220 -1.4100 2 4 6 0 0
4 C2 C_ARO 0 0.0000 -0.4780 -0.8960 -1.2530 3 5 22 0 0
5 H2 H_ALI 0 0.0000 0.1100 -1.2180 -2.1000 4 0 0 0 23
6 H3 H_ALI 0 0.0000 -2.2850 -0.7250 -2.3810 3 0 0 0 24
7 O O_EST 0 0.0000 -3.9000 0.0620 -0.4740 2 8 0 0 0
8 C5 C_ALI 0 0.0000 -4.6140 0.4840 0.6900 7 9 16 17 0
9 C8 C_XXX 0 0.0000 -6.0230 0.7290 0.3390 8 10 0 0 0
10 C7 C_XXX 0 0.0000 -7.1460 0.9250 0.0590 9 11 0 0 0
11 C6 C_ALI 0 0.0000 -8.5540 1.1710 -0.2910 10 12 13 14 0
12 H61 H_ALI 0 0.0000 -9.0990 1.4930 0.5960 11 0 0 0 15
13 H62 H_ALI 0 0.0000 -8.6080 1.9500 -1.0530 11 0 0 0 15
14 H63 H_ALI 0 0.0000 -8.9980 0.2540 -0.6780 11 0 0 0 15
15 Q1 PSEUD 0 0.0000 -8.9017 1.2323 -0.3783 0 0 0 0 0
16 H51 H_ALI 0 0.0000 -4.5600 -0.2950 1.4510 8 0 0 0 18
17 H52 H_ALI 0 0.0000 -4.1700 1.4010 1.0760 8 0 0 0 18
18 Q2 PSEUD 0 0.0000 -4.3650 0.5530 1.2635 0 0 0 0 0
19 H' H_ALI 0 0.0000 -2.5630 0.2510 1.7710 1 0 0 0 24
20 C1 C_ARO 0 0.0000 -0.6340 -0.3520 1.0750 1 21 22 0 0
21 H1 H_ALI 0 0.0000 -0.1690 -0.2490 2.0450 20 0 0 0 23
22 C9 C_ARO 0 0.0000 0.1150 -0.7630 -0.0110 4 20 26 0 0
23 Q6 PSEUD 0 0.0000 -0.0295 -0.7335 -0.0275 0 0 0 0 25
24 Q7 PSEUD 0 0.0000 -2.4240 -0.2370 -0.3050 0 0 0 0 25
25 QQA PSEUD 0 0.0000 -1.2268 -0.4852 -0.1662 0 0 0 0 0
26 S S_XXX 0 0.0000 1.8310 -1.1130 0.1860 22 27 28 29 0
27 O1 O_XXX 0 0.0000 1.9590 -1.4820 1.5530 26 0 0 0 0
28 O2 O_XXX 0 0.0000 2.1220 -2.0380 -0.8530 26 0 0 0 0
29 C10 C_ALI 0 0.0000 2.6550 0.4730 -0.1240 26 30 31 33 0
30 H101 H_ALI 0 0.0000 2.4220 0.8120 -1.1340 29 0 0 0 32
31 H102 H_ALI 0 0.0000 2.3050 1.2120 0.5960 29 0 0 0 32
32 Q3 PSEUD 0 0.0000 2.3635 1.0120 -0.2690 0 0 0 0 0
33 C11 C_ALI 0 0.0000 4.1680 0.2980 0.0190 29 34 35 37 0
34 H111 H_ALI 0 0.0000 4.4010 -0.0410 1.0280 33 0 0 0 36
35 H112 H_ALI 0 0.0000 4.5180 -0.4410 -0.7020 33 0 0 0 36
36 Q4 PSEUD 0 0.0000 4.4595 -0.2410 0.1630 0 0 0 0 0
37 C12 C_ALI 0 0.0000 4.8630 1.6360 -0.2440 33 38 39 41 0
38 H121 H_ALI 0 0.0000 4.6300 1.9740 -1.2530 37 0 0 0 40
39 H122 H_ALI 0 0.0000 4.5130 2.3750 0.4770 37 0 0 0 40
40 Q5 PSEUD 0 0.0000 4.5715 2.1745 -0.3880 0 0 0 0 0
41 S1 S_RED 0 0.0000 6.6570 1.4290 -0.0740 37 42 0 0 0
42 H1A H_SUL 0 0.0000 7.1290 2.6620 -0.3270 41 0 0 0 0