Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1n83_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): VAL 5.A N HIS 1.A O no hydrogen 2.993 N/A LEU 6.A N HIS 2.A O no hydrogen 3.069 N/A PHE 7.A N LEU 3.A O no hydrogen 3.111 N/A PHE 7.A N GLU 4.A O no hydrogen 3.258 N/A GLN 8.A N VAL 5.A O no hydrogen 3.319 N/A ALA 11.A N PHE 7.A O no hydrogen 2.836 N/A GLU 12.A N GLN 8.A O no hydrogen 2.982 N/A LEU 13.A N GLY 9.A O no hydrogen 3.219 N/A GLU 14.A N PRO 10.A O no hydrogen 2.830 N/A HIS 15.A N ALA 11.A O no hydrogen 2.752 N/A LEU 16.A N GLU 12.A O no hydrogen 2.937 N/A ALA 17.A N LEU 13.A O no hydrogen 2.879 N/A GLN 18.A N GLU 14.A O no hydrogen 2.787 N/A GLN 18.A NE2 GLU 14.A OE2 no hydrogen 2.801 N/A ASN 19.A N HIS 15.A O no hydrogen 2.975 N/A ILE 20.A N LEU 16.A O no hydrogen 3.185 N/A SER 21.A N ALA 17.A O no hydrogen 2.868 N/A SER 21.A OG ALA 17.A O no hydrogen 2.733 N/A LYS 22.A N GLN 18.A O no hydrogen 2.970 N/A LYS 22.A NZ GLU 26.A OE1 no hydrogen 3.458 N/A SER 23.A N ASN 19.A O no hydrogen 3.032 N/A SER 23.A OG ASN 19.A O no hydrogen 3.106 N/A HIS 24.A N ILE 20.A O no hydrogen 2.920 N/A HIS 24.A NE2 GLU 157.A OE1 no hydrogen 2.880 N/A LEU 25.A N SER 21.A O no hydrogen 2.975 N/A GLU 26.A N LYS 22.A O no hydrogen 2.919 N/A THR 27.A N HIS 24.A O no hydrogen 3.027 N/A THR 27.A OG1 SER 23.A O no hydrogen 2.739 N/A THR 27.A OG1 HIS 24.A O no hydrogen 3.445 N/A CYS 28.A SG HIS 24.A O no hydrogen 3.520 N/A LEU 31.A N GLU 34.A OE1 no hydrogen 3.211 N/A ARG 32.A NH1 LEU 155.A O no hydrogen 3.080 N/A ARG 32.A NH1 GLU 157.A OE2 no hydrogen 2.750 N/A ARG 32.A NH2 LEU 155.A O no hydrogen 2.945 N/A LEU 35.A N LEU 31.A O no hydrogen 3.146 N/A GLN 36.A N ARG 32.A O no hydrogen 2.988 N/A GLN 37.A N GLU 33.A O no hydrogen 3.010 N/A ILE 38.A N LEU 35.A O no hydrogen 3.385 N/A THR 39.A N GLN 36.A O no hydrogen 3.462 N/A THR 39.A OG1 GLN 36.A O no hydrogen 3.392 N/A GLN 41.A N ILE 38.A O no hydrogen 2.870 N/A THR 42.A N TRP 40.A O no hydrogen 2.764 N/A PHE 43.A N TYR 125.A O no hydrogen 3.181 N/A LEU 44.A N GLU 47.A OE2 no hydrogen 2.904 N/A GLN 45.A NE2 GLU 49.A OE2 no hydrogen 3.245 N/A ILE 48.A N LEU 44.A O no hydrogen 2.931 N/A GLU 49.A N GLN 45.A O no hydrogen 3.004 N/A ASN 50.A N GLU 46.A O no hydrogen 2.914 N/A TYR 51.A N GLU 47.A O no hydrogen 3.043 N/A TYR 51.A OH ASP 122.A OD2 no hydrogen 2.633 N/A GLN 52.A N ILE 48.A O no hydrogen 2.958 N/A GLN 52.A NE2 ASP 129.A O no hydrogen 3.284 N/A ASN 53.A N GLU 49.A O no hydrogen 2.891 N/A ASN 53.A N ASN 50.A O no hydrogen 3.243 N/A LYS 54.A N TYR 51.A O no hydrogen 3.075 N/A ARG 56.A NE LEU 134.A O no hydrogen 2.868 N/A GLU 57.A N GLU 57.A OE2 no hydrogen 2.653 N/A MET 59.A N GLN 55.A O no hydrogen 2.992 N/A TRP 60.A N ARG 56.A O no hydrogen 2.926 N/A TRP 60.A NE1 LEU 134.A O no hydrogen 3.195 N/A GLN 61.A N GLU 57.A O no hydrogen 2.912 N/A GLN 61.A NE2 HIS 242.A O no hydrogen 2.896 N/A LEU 62.A N VAL 58.A O no hydrogen 3.063 N/A CYS 63.A N MET 59.A O no hydrogen 2.991 N/A CYS 63.A SG MET 59.A O no hydrogen 3.338 N/A ALA 64.A N TRP 60.A O no hydrogen 2.887 N/A ILE 65.A N GLN 61.A O no hydrogen 2.927 N/A LYS 66.A N LEU 62.A O no hydrogen 2.981 N/A LYS 66.A NZ ASP 122.A OD1 no hydrogen 3.377 N/A ILE 67.A N CYS 63.A O no hydrogen 2.858 N/A THR 68.A N ALA 64.A O no hydrogen 2.961 N/A THR 68.A OG1 ALA 64.A O no hydrogen 2.751 N/A GLU 69.A N ILE 65.A O no hydrogen 3.060 N/A ALA 70.A N LYS 66.A O no hydrogen 3.251 N/A ILE 71.A N ILE 67.A O no hydrogen 2.858 N/A GLN 72.A N THR 68.A O no hydrogen 2.975 N/A VAL 74.A N ALA 70.A O no hydrogen 3.191 N/A VAL 75.A N ILE 71.A O no hydrogen 2.801 N/A GLU 76.A N GLN 72.A O no hydrogen 3.194 N/A PHE 77.A N TYR 73.A O no hydrogen 2.999 N/A ALA 78.A N VAL 74.A O no hydrogen 2.859 N/A LYS 79.A N VAL 75.A O no hydrogen 3.016 N/A LYS 79.A NZ GLU 76.A OE1 no hydrogen 3.224 N/A LYS 79.A NZ GLU 76.A OE2 no hydrogen 3.140 N/A ARG 80.A N PHE 77.A O no hydrogen 2.915 N/A ILE 81.A N ALA 78.A O no hydrogen 2.960 N/A PHE 84.A N ILE 81.A O no hydrogen 3.024 N/A GLU 86.A N GLY 83.A O no hydrogen 3.189 N/A LEU 87.A N PHE 84.A O no hydrogen 3.232 N/A CYS 88.A N GLU 178.A OE2 no hydrogen 2.920 N/A CYS 88.A SG GLU 178.A OE2 no hydrogen 3.622 N/A GLN 92.A N CYS 88.A O no hydrogen 3.028 N/A GLN 92.A NE2 PHE 84.A O no hydrogen 3.209 N/A ILE 93.A N GLN 89.A O no hydrogen 2.948 N/A VAL 94.A N ASN 90.A O no hydrogen 3.012 N/A LEU 95.A N ASP 91.A O no hydrogen 2.884 N/A LEU 96.A N GLN 92.A O no hydrogen 2.981 N/A LYS 97.A N ILE 93.A O no hydrogen 2.785 N/A ALA 98.A N VAL 94.A O no hydrogen 3.083 N/A GLY 99.A N LEU 95.A O no hydrogen 2.838 N/A SER 100.A N LEU 96.A O no hydrogen 2.948 N/A SER 100.A OG LEU 96.A O no hydrogen 2.798 N/A VAL 103.A N GLY 99.A O no hydrogen 2.972 N/A VAL 104.A N SER 100.A O no hydrogen 3.045 N/A PHE 105.A N LEU 101.A O no hydrogen 2.943 N/A ILE 106.A N GLU 102.A O no hydrogen 3.008 N/A ARG 107.A N VAL 103.A O no hydrogen 2.774 N/A ARG 107.A NH1 THR 27.A O no hydrogen 2.787 N/A ARG 107.A NH2 THR 27.A O no hydrogen 3.455 N/A ARG 107.A NH2 THR 27.A OG1 no hydrogen 2.982 N/A MET 108.A N VAL 104.A O no hydrogen 2.849 N/A CYS 109.A N ILE 106.A O no hydrogen 3.068 N/A CYS 109.A SG ILE 106.A O no hydrogen 3.357 N/A ARG 110.A N ARG 107.A O no hydrogen 2.988 N/A ARG 110.A NE GLU 157.A OE1 no hydrogen 2.892 N/A ARG 110.A NE GLU 157.A OE2 no hydrogen 2.971 N/A ARG 110.A NH1 TYR 30.A O no hydrogen 3.327 N/A ARG 110.A NH2 TYR 30.A O no hydrogen 2.826 N/A ARG 110.A NH2 GLU 157.A OE1 no hydrogen 2.854 N/A ALA 111.A N MET 108.A O no hydrogen 2.784 N/A ASP 113.A N THR 118.A O no hydrogen 2.807 N/A ASN 116.A N ASP 113.A OD1 no hydrogen 3.129 N/A ASN 116.A ND2 ASP 113.A OD1 no hydrogen 3.489 N/A ASN 116.A ND2 ASP 113.A OD2 no hydrogen 2.834 N/A THR 118.A N ASP 113.A O no hydrogen 3.200 N/A VAL 119.A N ALA 126.A O no hydrogen 2.858 N/A TYR 120.A N ALA 111.A O no hydrogen 2.885 N/A PHE 121.A N LYS 124.A O no hydrogen 2.794 N/A LYS 124.A N PHE 121.A O no hydrogen 3.364 N/A LYS 124.A NZ GLU 47.A OE1 no hydrogen 3.146 N/A LYS 124.A NZ GLU 47.A OE2 no hydrogen 2.636 N/A TYR 125.A N GLN 41.A O no hydrogen 3.010 N/A TYR 125.A OH LEU 35.A O no hydrogen 2.777 N/A ALA 126.A N VAL 119.A O no hydrogen 2.750 N/A VAL 130.A N SER 127.A O no hydrogen 3.087 N/A PHE 131.A N PRO 128.A O no hydrogen 3.022 N/A LYS 132.A N ASP 129.A O no hydrogen 3.221 N/A SER 133.A OG TYR 51.A O no hydrogen 3.248 N/A SER 133.A OG LYS 54.A O no hydrogen 2.712 N/A LEU 134.A N PHE 131.A O no hydrogen 3.046 N/A GLY 135.A N LYS 132.A O no hydrogen 3.063 N/A CYS 136.A SG LEU 134.A O no hydrogen 3.437 N/A ILE 140.A N CYS 136.A O no hydrogen 2.912 N/A SER 141.A N GLU 137.A O no hydrogen 2.840 N/A SER 141.A OG GLU 137.A O no hydrogen 3.218 N/A SER 141.A OG ASP 138.A O no hydrogen 2.318 N/A PHE 142.A N ASP 138.A O no hydrogen 2.952 N/A VAL 143.A N PHE 139.A O no hydrogen 2.832 N/A PHE 144.A N ILE 140.A O no hydrogen 2.998 N/A GLU 145.A N SER 141.A O no hydrogen 2.862 N/A PHE 146.A N PHE 142.A O no hydrogen 2.859 N/A GLY 147.A N VAL 143.A O no hydrogen 2.878 N/A LYS 148.A N PHE 144.A O no hydrogen 2.871 N/A SER 149.A N GLU 145.A O no hydrogen 2.838 N/A LEU 150.A N PHE 146.A O no hydrogen 2.866 N/A CYS 151.A N GLY 147.A O no hydrogen 2.846 N/A CYS 151.A SG CYS 109.A O no hydrogen 3.618 N/A CYS 151.A SG PHE 112.A O no hydrogen 3.849 N/A CYS 151.A SG GLY 147.A O no hydrogen 3.253 N/A SER 152.A N LYS 148.A O no hydrogen 2.858 N/A SER 152.A OG SER 149.A O no hydrogen 2.594 N/A MET 153.A N LEU 150.A O no hydrogen 3.151 N/A HIS 154.A N CYS 151.A O no hydrogen 2.995 N/A THR 156.A N GLU 159.A OE1 no hydrogen 2.812 N/A GLU 159.A N THR 156.A OG1 no hydrogen 3.094 N/A ILE 160.A N THR 156.A O no hydrogen 2.859 N/A ALA 161.A N GLU 157.A O no hydrogen 2.856 N/A LEU 162.A N ASP 158.A O no hydrogen 2.957 N/A PHE 163.A N GLU 159.A O no hydrogen 2.919 N/A SER 164.A N ILE 160.A O no hydrogen 2.832 N/A SER 164.A OG ILE 160.A O no hydrogen 2.733 N/A ALA 165.A N ALA 161.A O no hydrogen 2.988 N/A PHE 166.A N LEU 162.A O no hydrogen 2.930 N/A VAL 167.A N PHE 163.A O no hydrogen 2.986 N/A LEU 168.A N SER 164.A O no hydrogen 3.126 N/A MET 169.A N ALA 165.A O no hydrogen 3.118 N/A SER 170.A OG VAL 167.A O no hydrogen 2.800 N/A ARG 173.A NH1 GLU 102.A OE1 no hydrogen 2.880 N/A ARG 173.A NH2 GLU 102.A OE2 no hydrogen 2.841 N/A ARG 173.A NH2 VAL 167.A O no hydrogen 2.651 N/A GLN 177.A N ASP 91.A OD1 no hydrogen 2.758 N/A GLU 178.A N ASP 91.A OD2 no hydrogen 2.768 N/A LYS 179.A NZ ARG 173.A O no hydrogen 2.939 N/A LYS 181.A NZ GLU 86.A OE1 no hydrogen 2.873 N/A ILE 182.A N GLU 178.A O no hydrogen 3.099 N/A GLU 183.A N LYS 179.A O no hydrogen 2.865 N/A LYS 184.A N VAL 180.A O no hydrogen 3.098 N/A LEU 185.A N LYS 181.A O no hydrogen 3.099 N/A GLN 186.A N ILE 182.A O no hydrogen 2.842 N/A GLN 186.A NE2 PHE 166.A O no hydrogen 2.923 N/A GLN 187.A N GLU 183.A O no hydrogen 2.924 N/A GLN 187.A NE2 GLU 183.A O no hydrogen 3.594 N/A LYS 188.A N LYS 184.A O no hydrogen 3.193 N/A ILE 189.A N LEU 185.A O no hydrogen 3.051 N/A GLN 190.A N GLN 186.A O no hydrogen 2.754 N/A LEU 191.A N GLN 187.A O no hydrogen 3.036 N/A ALA 192.A N LYS 188.A O no hydrogen 3.132 N/A LEU 193.A N ILE 189.A O no hydrogen 2.768 N/A GLN 194.A N GLN 190.A O no hydrogen 2.839 N/A HIS 195.A N LEU 191.A O no hydrogen 2.790 N/A HIS 195.A NE2 GLU 14.A OE1 no hydrogen 2.713 N/A VAL 196.A N ALA 192.A O no hydrogen 2.851 N/A LEU 197.A N LEU 193.A O no hydrogen 2.889 N/A GLN 198.A N GLN 194.A O no hydrogen 3.142 N/A LYS 199.A NZ GLU 14.A OE1 no hydrogen 3.095 N/A ASN 200.A N LEU 197.A O no hydrogen 3.279 N/A ASN 200.A ND2 GLU 159.A OE2 no hydrogen 3.019 N/A HIS 201.A N LEU 197.A O no hydrogen 3.119 N/A THR 208.A OG1 GLY 205.A O no hydrogen 3.463 N/A LEU 210.A N ILE 206.A O no hydrogen 2.742 N/A ILE 211.A N LEU 207.A O no hydrogen 2.883 N/A CYS 212.A N THR 208.A O no hydrogen 2.726 N/A LYS 213.A N LEU 210.A O no hydrogen 2.780 N/A LYS 213.A NZ SER 149.A OG no hydrogen 2.250 N/A VAL 214.A N ILE 211.A O no hydrogen 2.971 N/A SER 215.A N CYS 212.A O no hydrogen 3.324 N/A LEU 217.A N LYS 213.A O no hydrogen 2.908 N/A ARG 218.A N VAL 214.A O no hydrogen 3.275 N/A ARG 218.A NH1 ASP 172.A OD1 no hydrogen 2.801 N/A ARG 218.A NH1 ASP 172.A OD2 no hydrogen 3.565 N/A ARG 218.A NH2 SER 170.A OG no hydrogen 3.388 N/A ARG 218.A NH2 ASP 172.A OD1 no hydrogen 3.443 N/A ARG 218.A NH2 ASP 172.A OD2 no hydrogen 2.786 N/A ALA 219.A N SER 215.A O no hydrogen 3.135 N/A LEU 220.A N THR 216.A O no hydrogen 2.794 N/A CYS 221.A N LEU 217.A O no hydrogen 2.866 N/A CYS 221.A SG LEU 217.A O no hydrogen 3.366 N/A GLY 222.A N ARG 218.A O no hydrogen 2.822 N/A ARG 223.A N ALA 219.A O no hydrogen 2.974 N/A HIS 224.A N LEU 220.A O no hydrogen 3.110 N/A HIS 224.A NE2 TYR 247.A OH no hydrogen 2.740 N/A THR 225.A N CYS 221.A O no hydrogen 3.146 N/A THR 225.A OG1 CYS 221.A O no hydrogen 3.533 N/A GLU 226.A N GLY 222.A O no hydrogen 3.045 N/A LYS 227.A N ARG 223.A O no hydrogen 2.919 N/A LEU 228.A N HIS 224.A O no hydrogen 2.903 N/A MET 229.A N THR 225.A O no hydrogen 2.924 N/A ALA 230.A N GLU 226.A O no hydrogen 3.111 N/A PHE 231.A N LYS 227.A O no hydrogen 2.779 N/A LYS 232.A N LEU 228.A O no hydrogen 2.746 N/A ALA 233.A N MET 229.A O no hydrogen 3.051 N/A ILE 234.A N PHE 231.A O no hydrogen 2.927 N/A TYR 235.A N PHE 231.A O no hydrogen 2.876 N/A VAL 239.A N TYR 235.A O no hydrogen 3.140 N/A ARG 240.A N PRO 236.A O no hydrogen 2.901 N/A LEU 241.A N ASP 237.A O no hydrogen 2.879 N/A HIS 242.A N ILE 238.A O no hydrogen 2.760 N/A PHE 243.A N VAL 239.A O no hydrogen 3.281 N/A TYR 247.A OH HIS 224.A NE2 no hydrogen 2.740 N/A LYS 248.A N PRO 244.A O no hydrogen 3.034 N/A LYS 248.A NZ VAL 239.A O no hydrogen 3.179 N/A LYS 248.A NZ ARG 240.A O no hydrogen 2.530 N/A GLU 249.A N PRO 245.A O no hydrogen 2.789 N/A LEU 250.A N LEU 246.A O no hydrogen 2.914 N/A PHE 251.A N TYR 247.A O no hydrogen 3.015 N/A