Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 8jnk_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ILE 3.A N LYS 160.A O no hydrogen 2.977 N/A GLY 7.A N LEU 23.A O no hydrogen 3.111 N/A TYR 9.A N VAL 21.A O no hydrogen 2.837 N/A TYR 9.A OH ARG 5.A O no hydrogen 2.538 N/A ILE 11.A N SER 19.A O no hydrogen 3.068 N/A THR 16.A N ASP 178.A OD2 no hydrogen 3.330 N/A THR 16.A OG1 ASP 178.A OD1 no hydrogen 2.947 N/A SER 19.A N SER 12.A O no hydrogen 2.911 N/A ARG 20.A N GLU 172.A O no hydrogen 3.020 N/A ARG 20.A NH1 GLU 172.A OE2 no hydrogen 2.757 N/A VAL 21.A N TYR 9.A O no hydrogen 2.999 N/A CYS 22.A N ILE 170.A O no hydrogen 2.927 N/A LEU 23.A N GLY 7.A O no hydrogen 2.839 N/A TYR 24.A N LEU 168.A O no hydrogen 2.828 N/A VAL 28.A N GLY 166.A O no hydrogen 3.245 N/A LYS 31.A N ASP 29.A OD1 no hydrogen 3.002 N/A GLU 32.A N ASP 29.A OD1 no hydrogen 3.485 N/A ALA 33.A N ASP 29.A O no hydrogen 2.737 N/A ASP 34.A N VAL 30.A O no hydrogen 2.932 N/A TRP 35.A N LYS 31.A O no hydrogen 3.007 N/A ILE 36.A N GLU 32.A O no hydrogen 2.794 N/A LEU 37.A N ALA 33.A O no hydrogen 2.884 N/A GLU 38.A N ASP 34.A O no hydrogen 3.072 N/A GLN 39.A N TRP 35.A O no hydrogen 2.900 N/A LEU 40.A N ILE 36.A O no hydrogen 2.831 N/A SER 41.A N LEU 37.A O no hydrogen 2.955 N/A SER 41.A OG LEU 37.A O no hydrogen 2.348 N/A GLN 42.A N GLU 38.A O no hydrogen 2.959 N/A ASP 43.A N GLN 39.A O no hydrogen 2.855 N/A VAL 44.A N LEU 40.A O no hydrogen 3.077 N/A TRP 46.A N VAL 44.A O no hydrogen 2.763 N/A TRP 46.A NE1 LEU 40.A O no hydrogen 2.902 N/A LYS 47.A N THR 64.A O no hydrogen 3.018 N/A GLN 48.A NE2 GLN 60.A O no hydrogen 2.969 N/A ARG 49.A NH1 THR 64.A O no hydrogen 2.755 N/A ARG 49.A NH1 THR 64.A OG1 no hydrogen 3.026 N/A GLY 51.A N TYR 58.A O no hydrogen 2.455 N/A ARG 53.A N ILE 56.A O no hydrogen 2.560 N/A ILE 56.A N ARG 53.A O no hydrogen 2.276 N/A TYR 58.A N GLY 51.A O no hydrogen 2.682 N/A GLN 60.A N ARG 49.A O no hydrogen 2.815 N/A GLN 60.A NE2 TYR 74.A OH no hydrogen 3.471 N/A ARG 62.A NH1 SER 118.A O no hydrogen 2.891 N/A LEU 63.A N LEU 111.A O no hydrogen 2.968 N/A THR 64.A N LYS 47.A O no hydrogen 2.772 N/A THR 64.A OG1 LYS 47.A O no hydrogen 3.505 N/A ALA 65.A N CYS 109.A O no hydrogen 2.932 N/A TRP 66.A NE1 LEU 70.A O no hydrogen 3.089 N/A TYR 67.A N LEU 107.A O no hydrogen 2.865 N/A GLY 68.A N ASN 82.A O no hydrogen 2.781 N/A TYR 72.A N MET 79.A O no hydrogen 3.044 N/A THR 73.A OG1 THR 78.A OG1 no hydrogen 2.526 N/A TYR 74.A N ILE 77.A O no hydrogen 2.965 N/A ILE 77.A N TYR 74.A O no hydrogen 2.969 N/A THR 78.A OG1 THR 73.A OG1 no hydrogen 2.526 N/A MET 79.A N TYR 72.A O no hydrogen 2.760 N/A ASN 82.A N GLY 68.A O no hydrogen 3.036 N/A HIS 84.A N ASN 82.A OD1 no hydrogen 3.315 N/A HIS 86.A NE2 ASP 43.A OD2 no hydrogen 3.234 N/A VAL 88.A N HIS 86.A ND1 no hydrogen 3.066 N/A ARG 90.A N HIS 86.A O no hydrogen 2.992 N/A THR 91.A N PRO 87.A O no hydrogen 2.899 N/A THR 91.A OG1 PRO 87.A O no hydrogen 3.224 N/A LEU 92.A N VAL 88.A O no hydrogen 2.912 N/A LYS 93.A N LEU 89.A O no hydrogen 2.886 N/A LYS 93.A NZ GLU 97.A OE2 no hydrogen 2.672 N/A LYS 93.A NZ PHE 104.A O no hydrogen 2.726 N/A ASN 94.A N ARG 90.A O no hydrogen 2.925 N/A ARG 95.A N THR 91.A O no hydrogen 2.909 N/A ILE 96.A N LEU 92.A O no hydrogen 2.936 N/A GLU 97.A N LYS 93.A O no hydrogen 2.924 N/A GLU 98.A N ASN 94.A O no hydrogen 2.929 N/A ASN 99.A N ARG 95.A O no hydrogen 2.964 N/A ASN 99.A ND2 ARG 95.A O no hydrogen 3.032 N/A THR 100.A N GLU 97.A O no hydrogen 3.304 N/A THR 100.A OG1 ILE 96.A O no hydrogen 2.503 N/A GLY 101.A N GLU 97.A O no hydrogen 2.833 N/A HIS 102.A N THR 100.A OG1 no hydrogen 3.380 N/A PHE 104.A N GLU 97.A OE2 no hydrogen 2.920 N/A ASN 105.A N ARG 199.A O no hydrogen 3.088 N/A ASN 105.A ND2 VAL 201.A O no hydrogen 2.990 N/A SER 106.A OG ASN 105.A OD1 no hydrogen 2.512 N/A LEU 107.A N TYR 67.A O no hydrogen 2.941 N/A LEU 108.A N THR 197.A O no hydrogen 2.874 N/A CYS 109.A N ALA 65.A O no hydrogen 2.864 N/A ASN 110.A N ASN 195.A O no hydrogen 2.946 N/A LEU 111.A N LEU 63.A O no hydrogen 2.848 N/A TYR 112.A N ARG 193.A O no hydrogen 2.822 N/A ARG 113.A N ASP 117.A OD2 no hydrogen 2.845 N/A ARG 113.A NE ASP 117.A OD2 no hydrogen 2.873 N/A ARG 113.A NH2 ASP 117.A OD1 no hydrogen 3.232 N/A ARG 113.A NH2 ASP 117.A OD2 no hydrogen 3.537 N/A GLU 115.A N GLU 115.A OE1 no hydrogen 2.664 N/A LYS 116.A N ASN 114.A OD1 no hydrogen 3.030 N/A ASP 117.A N ASN 114.A O no hydrogen 3.006 N/A SER 118.A N PRO 61.A O no hydrogen 2.910 N/A VAL 119.A N VAL 183.A O no hydrogen 3.150 N/A TRP 121.A N ASP 120.A OD1 no hydrogen 2.698 N/A HIS 122.A N HIS 181.A O no hydrogen 3.010 N/A HIS 122.A ND1 ASP 120.A O no hydrogen 2.825 N/A SER 123.A OG GLN 176.A O no hydrogen 3.438 N/A SER 123.A OG TRP 179.A O no hydrogen 2.486 N/A ASP 124.A N GLN 176.A OE1 no hydrogen 3.118 N/A CYS 126.A SG THR 73.A O no hydrogen 3.556 N/A LEU 129.A N CYS 126.A O no hydrogen 3.231 N/A GLY 130.A N PRO 127.A O no hydrogen 3.120 N/A ILE 135.A N MET 171.A O no hydrogen 2.934 N/A ALA 136.A N PHE 198.A O no hydrogen 2.982 N/A SER 137.A N LEU 169.A O no hydrogen 2.775 N/A LEU 138.A N LEU 196.A O no hydrogen 2.827 N/A SER 139.A N THR 167.A O no hydrogen 3.127 N/A PHE 140.A N VAL 194.A O no hydrogen 2.852 N/A GLY 141.A N HIS 165.A ND1 no hydrogen 2.799 N/A ALA 142.A N PRO 192.A O no hydrogen 3.054 N/A THR 143.A OG1 ASP 164.A OD1 no hydrogen 2.820 N/A ARG 144.A NH1 ASN 114.A O no hydrogen 3.114 N/A ARG 144.A NH2 ASP 117.A O no hydrogen 2.739 N/A ARG 144.A NH2 PRO 184.A O no hydrogen 2.998 N/A PHE 146.A N ILE 161.A O no hydrogen 2.876 N/A GLU 147.A N ARG 182.A O no hydrogen 2.871 N/A MET 148.A N VAL 159.A O no hydrogen 2.837 N/A ARG 149.A N GLN 180.A O no hydrogen 2.916 N/A ARG 149.A NE GLN 180.A OE1 no hydrogen 2.693 N/A ARG 149.A NH2 GLN 180.A OE1 no hydrogen 2.912 N/A LYS 150.A N GLU 157.A O no hydrogen 2.894 N/A LYS 150.A NZ SER 14.A O no hydrogen 3.025 N/A LYS 151.A N ASP 178.A O no hydrogen 2.958 N/A LYS 151.A NZ GLN 176.A O no hydrogen 3.556 N/A LYS 151.A NZ ALA 177.A O no hydrogen 2.460 N/A VAL 159.A N MET 148.A O no hydrogen 2.820 N/A LYS 160.A N ARG 1.A O no hydrogen 2.902 N/A ILE 161.A N PHE 146.A O no hydrogen 2.911 N/A LEU 163.A N ARG 144.A O no hydrogen 2.936 N/A GLY 166.A N SER 139.A O no hydrogen 2.724 N/A THR 167.A N ASP 164.A O no hydrogen 2.979 N/A THR 167.A OG1 ASP 164.A O no hydrogen 3.172 N/A LEU 168.A N TYR 24.A O no hydrogen 2.980 N/A LEU 169.A N SER 137.A O no hydrogen 2.780 N/A ILE 170.A N CYS 22.A O no hydrogen 2.860 N/A MET 171.A N ILE 135.A O no hydrogen 2.900 N/A GLU 172.A N ARG 20.A O no hydrogen 2.846 N/A ALA 174.A N VAL 18.A O no hydrogen 2.801 N/A THR 175.A OG1 ARG 20.A O no hydrogen 3.473 N/A THR 175.A OG1 GLU 172.A O no hydrogen 2.758 N/A ASP 178.A N ALA 174.A O no hydrogen 2.908 N/A TRP 179.A N THR 175.A O no hydrogen 2.940 N/A TRP 179.A NE1 SER 12.A OG no hydrogen 2.895 N/A GLN 180.A N ARG 149.A O no hydrogen 2.895 N/A HIS 181.A N HIS 122.A O no hydrogen 2.802 N/A ARG 182.A N GLU 147.A O no hydrogen 2.898 N/A ARG 182.A NE GLU 147.A OE1 no hydrogen 3.377 N/A ARG 182.A NH2 GLU 147.A OE1 no hydrogen 3.018 N/A VAL 183.A N VAL 119.A O no hydrogen 3.053 N/A LYS 185.A NZ LYS 116.A O no hydrogen 2.845 N/A LYS 185.A NZ SER 118.A OG no hydrogen 2.742 N/A GLU 186.A N GLU 115.A O no hydrogen 3.210 N/A ARG 190.A N GLU 115.A OE1 no hydrogen 2.944 N/A ARG 190.A NH1 SER 189.A O no hydrogen 3.415 N/A ARG 193.A N TYR 112.A O no hydrogen 2.932 N/A ARG 193.A NH2 SER 139.A OG no hydrogen 2.897 N/A VAL 194.A N PHE 140.A O no hydrogen 2.879 N/A ASN 195.A N ASN 110.A O no hydrogen 2.839 N/A ASN 195.A ND2 SER 137.A OG no hydrogen 2.731 N/A ASN 195.A ND2 SER 139.A OG no hydrogen 3.219 N/A LEU 196.A N LEU 138.A O no hydrogen 2.842 N/A THR 197.A N LEU 108.A O no hydrogen 2.892 N/A THR 197.A OG1 LEU 108.A O no hydrogen 3.006 N/A PHE 198.A N ALA 136.A O no hydrogen 2.756 N/A ARG 199.A N SER 106.A O no hydrogen 2.772 N/A VAL 201.A N ASN 105.A OD1 no hydrogen 2.824 N/A TYR 202.A N SER 128.A O no hydrogen 2.853 N/A