REMARK This residue is converted from PDB Protein Databank automatically.The original name of this chemical component in PDB is = "N-[(1S)-1-benzyl-2-{[(1S)-2-(isobutylamino)-1-methyl-2-oxoethyl]amino}ethyl]-N'-[(1R)-1-(4-fluorophenyl)ethyl]-5-[methyl(methylsulfonyl)amino]isophthalamide"
RESIDUE IXS 17 106 1 106
1 CHI1 0 0 0.0000 1 2 4 5 8
2 PHI1 0 0 0.0000 1 2 9 15 0
3 CHI2 0 0 0.0000 2 9 10 11 14
4 PHI2 0 0 0.0000 2 9 15 46 0
5 CHI3 0 0 0.0000 20 21 22 23 26
6 CHI4 0 0 0.0000 20 21 27 28 38
7 PHI3 0 0 0.0000 43 48 49 51 0
8 PHI4 0 0 0.0000 48 49 51 53 0
9 PHI5 0 0 0.0000 49 51 53 73 0
10 PHI6 0 0 0.0000 51 53 73 77 0
11 PHI7 0 0 0.0000 53 73 77 79 0
12 PHI8 0 0 0.0000 73 77 79 86 0
13 PHI9 0 0 0.0000 77 79 86 88 0
14 PHI10 0 0 0.0000 79 86 88 90 0
15 PHI11 0 0 0.0000 88 90 94 101 0
16 CHI5 0 0 0.0000 90 94 95 96 99
17 PHI12 0 0 0.0000 90 94 101 104 0
1 O2 O_XXX 0 0.0000 -4.5080 2.5130 2.7790 2 0 0 0 0
2 S1 S_XXX 0 0.0000 -5.7230 1.8810 2.4000 1 3 4 9 0
3 O1 O_XXX 0 0.0000 -6.6290 1.3890 3.3780 2 0 0 0 0
4 C22 C_ALI 0 0.0000 -6.6010 2.8780 1.1640 2 5 6 7 0
5 H221 H_ALI 0 0.0000 -6.9570 3.7980 1.6270 4 0 0 0 8
6 H222 H_ALI 0 0.0000 -5.9230 3.1220 0.3470 4 0 0 0 8
7 H223 H_ALI 0 0.0000 -7.4490 2.3130 0.7780 4 0 0 0 8
8 Q1 PSEUD 0 0.0000 -6.7763 3.0777 0.9173 0 0 0 0 0
9 N24 N_AMI 0 0.0000 -5.2400 0.5300 1.5740 2 10 15 0 0
10 C29 C_ALI 0 0.0000 -6.1140 -0.6440 1.5150 9 11 12 13 0
11 H291 H_ALI 0 0.0000 -5.8950 -1.3030 2.3560 10 0 0 0 14
12 H292 H_ALI 0 0.0000 -7.1550 -0.3250 1.5660 10 0 0 0 14
13 H293 H_ALI 0 0.0000 -5.9430 -1.1790 0.5810 10 0 0 0 14
14 Q2 PSEUD 0 0.0000 -6.3310 -0.9357 1.5010 0 0 0 0 0
15 C19 C_ARO 0 0.0000 -3.9990 0.5100 0.9320 9 16 46 0 0
16 C20 C_ARO 0 0.0000 -3.4050 1.6990 0.5350 15 17 45 0 0
17 C15 C_ARO 0 0.0000 -2.1660 1.6830 -0.1060 16 18 43 0 0
18 C14 C_BYL 0 0.0000 -1.5330 2.9510 -0.5280 17 19 20 0 0
19 O5 O_BYL 0 0.0000 -2.0930 4.0090 -0.3170 18 0 0 0 0
20 N13 N_AMO 0 0.0000 -0.3360 2.9340 -1.1480 18 21 42 0 0
21 C12 C_ALI 0 0.0000 0.2900 4.1900 -1.5660 20 22 27 41 0
22 C50 C_ALI 0 0.0000 -0.2500 4.5970 -2.9380 21 23 24 25 0
23 H501 H_ALI 0 0.0000 -0.0200 3.8180 -3.6650 22 0 0 0 26
24 H502 H_ALI 0 0.0000 -1.3300 4.7320 -2.8790 22 0 0 0 26
25 H503 H_ALI 0 0.0000 0.2160 5.5320 -3.2490 22 0 0 0 26
26 Q3 PSEUD 0 0.0000 -0.3780 4.6940 -3.2643 0 0 0 0 0
27 C5 C_ARO 0 0.0000 1.7830 4.0040 -1.6480 21 28 32 0 0
28 C6 C_ARO 0 0.0000 2.3060 2.8350 -2.1680 27 29 31 0 0
29 C7 C_ARO 0 0.0000 3.6750 2.6630 -2.2440 28 30 34 0 0
30 H7 H_ALI 0 0.0000 4.0830 1.7490 -2.6500 29 0 0 0 39
31 H6 H_ALI 0 0.0000 1.6440 2.0550 -2.5150 28 0 0 0 38
32 C4 C_ARO 0 0.0000 2.6290 5.0050 -1.2090 27 33 37 0 0
33 C3 C_ARO 0 0.0000 3.9990 4.8360 -1.2840 32 34 36 0 0
34 C2 C_ARO 0 0.0000 4.5230 3.6620 -1.7990 29 33 35 0 0
35 F1 X_XXX 0 0.0000 5.8620 3.4950 -1.8720 34 0 0 0 0
36 H3 H_ALI 0 0.0000 4.6600 5.6180 -0.9410 33 0 0 0 39
37 H4 H_ALI 0 0.0000 2.2200 5.9200 -0.8070 32 0 0 0 38
38 Q10 PSEUD 0 0.0000 1.9320 3.9875 -1.6610 0 0 0 0 40
39 Q11 PSEUD 0 0.0000 4.3715 3.6835 -1.7955 0 0 0 0 40
40 QQB PSEUD 0 0.0000 3.1518 3.8355 -1.7283 0 0 0 0 0
41 H12 H_ALI 0 0.0000 0.0610 4.9700 -0.8390 21 0 0 0 0
42 HN13 H_AMI 0 0.0000 0.1100 2.0890 -1.3160 20 0 0 0 0
43 C16 C_ARO 0 0.0000 -1.5250 0.4690 -0.3480 17 44 48 0 0
44 H16 H_ALI 0 0.0000 -0.5660 0.4540 -0.8450 43 0 0 0 0
45 H20 H_ALI 0 0.0000 -3.9030 2.6390 0.7220 16 0 0 0 0
46 C18 C_ARO 0 0.0000 -3.3610 -0.7000 0.6970 15 47 48 0 0
47 H18 H_ALI 0 0.0000 -3.8230 -1.6230 1.0120 46 0 0 0 0
48 C17 C_ARO 0 0.0000 -2.1210 -0.7230 0.0560 43 46 49 0 0
49 C34 C_BYL 0 0.0000 -1.4410 -2.0120 -0.1930 48 50 51 0 0
50 O4 O_BYL 0 0.0000 -1.9620 -3.0520 0.1600 49 0 0 0 0
51 N35 N_AMI 0 0.0000 -0.2440 -2.0340 -0.8120 49 52 53 0 0
52 HN35 H_AMI 0 0.0000 0.1720 -1.2040 -1.0940 51 0 0 0 0
53 C36 C_ALI 0 0.0000 0.4290 -3.3120 -1.0600 51 54 72 73 0
54 C56 C_ALI 0 0.0000 -0.0920 -3.9190 -2.3640 53 55 69 70 0
55 C58 C_ARO 0 0.0000 -1.5510 -4.2610 -2.2110 54 56 60 0 0
56 C65 C_ARO 0 0.0000 -1.9240 -5.5080 -1.7460 55 57 59 0 0
57 C64 C_ARO 0 0.0000 -3.2630 -5.8190 -1.6000 56 58 62 0 0
58 H64 H_ALI 0 0.0000 -3.5540 -6.7940 -1.2380 57 0 0 0 67
59 H65 H_ALI 0 0.0000 -1.1690 -6.2390 -1.4960 56 0 0 0 66
60 C61 C_ARO 0 0.0000 -2.5170 -3.3250 -2.5310 55 61 65 0 0
61 C62 C_ARO 0 0.0000 -3.8560 -3.6360 -2.3850 60 62 64 0 0
62 C63 C_ARO 0 0.0000 -4.2290 -4.8840 -1.9200 57 61 63 0 0
63 H63 H_ALI 0 0.0000 -5.2750 -5.1280 -1.8080 62 0 0 0 0
64 H62 H_ALI 0 0.0000 -4.6110 -2.9060 -2.6350 61 0 0 0 67
65 H61 H_ALI 0 0.0000 -2.2260 -2.3490 -2.8900 60 0 0 0 66
66 Q12 PSEUD 0 0.0000 -1.6975 -4.2940 -2.1930 0 0 0 0 68
67 Q13 PSEUD 0 0.0000 -4.0825 -4.8500 -1.9365 0 0 0 0 68
68 QQC PSEUD 0 0.0000 -2.8900 -4.5720 -2.0648 0 0 0 0 0
69 H561 H_ALI 0 0.0000 0.0300 -3.1990 -3.1740 54 0 0 0 71
70 H562 H_ALI 0 0.0000 0.4710 -4.8230 -2.5940 54 0 0 0 71
71 Q4 PSEUD 0 0.0000 0.2505 -4.0110 -2.8840 0 0 0 0 0
72 H36 H_ALI 0 0.0000 0.2270 -3.9950 -0.2350 53 0 0 0 0
73 C37 C_ALI 0 0.0000 1.9380 -3.0800 -1.1720 53 74 75 77 0
74 H371 H_ALI 0 0.0000 2.4470 -4.0390 -1.2670 73 0 0 0 76
75 H372 H_ALI 0 0.0000 2.1470 -2.4690 -2.0500 73 0 0 0 76
76 Q5 PSEUD 0 0.0000 2.2970 -3.2540 -1.6585 0 0 0 0 0
77 N38 N_AMI 0 0.0000 2.4180 -2.3880 0.0320 73 78 79 0 0
78 HN38 H_AMI 0 0.0000 2.1780 -2.9040 0.8650 77 0 0 0 0
79 C39 C_ALI 0 0.0000 3.8650 -2.1480 -0.0400 77 80 85 86 0
80 C8 C_ALI 0 0.0000 4.1290 -0.8530 -0.8100 79 81 82 83 0
81 H81 H_ALI 0 0.0000 5.2030 -0.6750 -0.8640 80 0 0 0 84
82 H82 H_ALI 0 0.0000 3.7240 -0.9400 -1.8180 80 0 0 0 84
83 H83 H_ALI 0 0.0000 3.6480 -0.0200 -0.2960 80 0 0 0 84
84 Q6 PSEUD 0 0.0000 4.1917 -0.5450 -0.9927 0 0 0 0 0
85 H39 H_ALI 0 0.0000 4.3460 -2.9810 -0.5540 79 0 0 0 0
86 C1 C_BYL 0 0.0000 4.4240 -2.0270 1.3540 79 87 88 0 0
87 O3 O_BYL 0 0.0000 3.6900 -2.1310 2.3130 86 0 0 0 0
88 N9 N_AMI 0 0.0000 5.7410 -1.8040 1.5340 86 89 90 0 0
89 HN9 H_AMI 0 0.0000 6.3290 -1.7220 0.7670 88 0 0 0 0
90 C10 C_ALI 0 0.0000 6.2850 -1.6870 2.8900 88 91 92 94 0
91 H101 H_ALI 0 0.0000 5.8040 -0.8540 3.4030 90 0 0 0 93
92 H102 H_ALI 0 0.0000 6.0970 -2.6100 3.4380 90 0 0 0 93
93 Q7 PSEUD 0 0.0000 5.9505 -1.7320 3.4205 0 0 0 0 0
94 C51 C_ALI 0 0.0000 7.7930 -1.4370 2.8140 90 95 100 101 0
95 C52 C_ALI 0 0.0000 8.0530 -0.0810 2.1550 94 96 97 98 0
96 H521 H_ALI 0 0.0000 9.1270 0.0970 2.1010 95 0 0 0 99
97 H522 H_ALI 0 0.0000 7.6330 -0.0800 1.1480 95 0 0 0 99
98 H523 H_ALI 0 0.0000 7.5830 0.7060 2.7450 95 0 0 0 99
99 Q8 PSEUD 0 0.0000 8.1143 0.2410 1.9980 0 0 0 0 106
100 H51 H_ALI 0 0.0000 8.2620 -2.2240 2.2240 94 0 0 0 0
101 C53 C_ALI 0 0.0000 8.3810 -1.4380 4.2260 94 102 103 104 0
102 H531 H_ALI 0 0.0000 8.1960 -2.4040 4.6960 101 0 0 0 105
103 H532 H_ALI 0 0.0000 9.4550 -1.2600 4.1730 101 0 0 0 105
104 H533 H_ALI 0 0.0000 7.9120 -0.6510 4.8170 101 0 0 0 105
105 Q9 PSEUD 0 0.0000 8.5210 -1.4383 4.5620 0 0 0 0 106
106 QQA PSEUD 0 0.0000 8.3177 -0.5987 3.2800 0 0 0 0 0