Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3b1q_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ALA 1.A N ASP 127.A O no hydrogen 3.019 N/A THR 2.A N ASP 55.A O no hydrogen 2.932 N/A LEU 3.A N LEU 130.A O no hydrogen 2.968 N/A ILE 4.A N ARG 57.A O no hydrogen 2.847 N/A CYS 5.A N ILE 132.A O no hydrogen 2.877 N/A GLY 6.A N MET 59.A O no hydrogen 3.267 N/A SER 7.A N PRO 135.A O no hydrogen 2.928 N/A ALA 9.A N GLY 39.A O no hydrogen 3.189 N/A TYR 10.A N ALA 93.A O no hydrogen 3.014 N/A TYR 10.A OH ASP 66.A O no hydrogen 2.669 N/A ASP 11.A N GLU 37.A O no hydrogen 2.784 N/A ASN 12.A N ALA 95.A O no hydrogen 2.734 N/A ASN 12.A ND2 GLN 94.A OE1 no hydrogen 2.934 N/A ASN 12.A ND2 ALA 95.A O no hydrogen 3.088 N/A ILE 13.A N ARG 35.A O no hydrogen 2.903 N/A MET 14.A N ILE 97.A O no hydrogen 2.713 N/A PHE 16.A N THR 99.A O no hydrogen 2.622 N/A GLU 17.A N GLU 17.A OE1 no hydrogen 2.501 N/A GLY 18.A N PHE 16.A O no hydrogen 2.963 N/A ARG 19.A NE ASP 102.A OD1 no hydrogen 3.119 N/A PHE 20.A N ASP 100.A OD2 no hydrogen 2.888 N/A GLU 22.A N ARG 19.A O no hydrogen 3.168 N/A HIS 23.A N PHE 20.A O no hydrogen 3.109 N/A ARG 35.A N ILE 13.A O no hydrogen 2.906 N/A ARG 36.A NE ASN 12.A OD1 no hydrogen 2.791 N/A ARG 36.A NH2 ASN 12.A OD1 no hydrogen 3.506 N/A GLU 37.A N ASP 11.A O no hydrogen 2.897 N/A GLY 39.A N ALA 9.A O no hydrogen 2.794 N/A CYS 41.A N SER 7.A OG no hydrogen 2.952 N/A CYS 41.A SG SER 7.A OG no hydrogen 3.616 N/A ALA 42.A N SER 7.A O no hydrogen 2.839 N/A ASN 44.A N GLY 40.A O no hydrogen 2.886 N/A ASN 44.A ND2 ASP 245.A OD2 no hydrogen 2.941 N/A ILE 45.A N CYS 41.A O no hydrogen 2.907 N/A ALA 46.A N ALA 42.A O no hydrogen 2.953 N/A TYR 47.A N GLY 43.A O no hydrogen 2.871 N/A TYR 47.A OH TYR 284.A O no hydrogen 2.618 N/A ALA 48.A N ASN 44.A O no hydrogen 3.023 N/A LEU 49.A N ILE 45.A O no hydrogen 2.970 N/A ASN 50.A N ALA 46.A O no hydrogen 2.862 N/A LEU 51.A N TYR 47.A O no hydrogen 2.942 N/A LEU 52.A N ALA 48.A O no hydrogen 3.359 N/A LEU 52.A N LEU 49.A O no hydrogen 3.196 N/A GLY 53.A N ASN 50.A O no hydrogen 3.006 N/A GLY 54.A N LEU 49.A O no hydrogen 2.974 N/A ARG 57.A N THR 2.A O no hydrogen 2.809 N/A ARG 57.A NE ASP 55.A OD1 no hydrogen 2.857 N/A ARG 57.A NH2 ASP 55.A OD1 no hydrogen 3.528 N/A ARG 57.A NH2 ASP 55.A OD2 no hydrogen 2.686 N/A MET 59.A N ILE 4.A O no hydrogen 2.821 N/A GLY 60.A N TYR 83.A O no hydrogen 3.215 N/A THR 61.A OG1 ALA 113.A O no hydrogen 2.771 N/A LEU 62.A N ARG 85.A O no hydrogen 2.868 N/A GLY 63.A N SER 92.A OG no hydrogen 2.915 N/A ALA 64.A N LEU 87.A O no hydrogen 2.817 N/A VAL 65.A N THR 90.A O no hydrogen 2.984 N/A ASP 66.A N GLY 63.A O no hydrogen 3.147 N/A GLN 68.A NE2 ASP 72.A OD1 no hydrogen 2.891 N/A TYR 70.A N TYR 10.A OH no hydrogen 3.265 N/A TYR 70.A N ALA 67.A O no hydrogen 3.007 N/A TYR 70.A OH GLY 39.A O no hydrogen 2.567 N/A LEU 71.A N ALA 67.A O no hydrogen 3.051 N/A ASP 72.A N GLN 68.A O no hydrogen 2.859 N/A ARG 73.A N PRO 69.A O no hydrogen 3.036 N/A ARG 73.A NE GLN 282.A OE1 no hydrogen 3.039 N/A ARG 73.A NH2 GLN 282.A OE1 no hydrogen 2.979 N/A MET 74.A N TYR 70.A O no hydrogen 2.897 N/A ASP 75.A N LEU 71.A O no hydrogen 2.910 N/A ALA 76.A N ASP 72.A O no hydrogen 2.905 N/A LEU 77.A N ARG 73.A O no hydrogen 2.934 N/A GLY 78.A N ASP 75.A O no hydrogen 3.089 N/A LEU 79.A N MET 74.A O no hydrogen 2.945 N/A ARG 81.A NE ASP 75.A OD2 no hydrogen 2.724 N/A ARG 81.A NH2 ASP 75.A OD1 no hydrogen 2.771 N/A ARG 81.A NH2 ASP 75.A OD2 no hydrogen 3.281 N/A GLU 82.A N SER 80.A OG no hydrogen 3.168 N/A VAL 84.A N ARG 81.A O no hydrogen 3.043 N/A ARG 85.A N GLY 60.A O no hydrogen 3.038 N/A ARG 85.A NH2 VAL 119.A O no hydrogen 3.471 N/A LEU 87.A N LEU 62.A O no hydrogen 2.866 N/A THR 90.A OG1 PRO 88.A O no hydrogen 2.903 N/A SER 92.A N ASP 66.A OD1 no hydrogen 2.899 N/A SER 92.A OG GLY 63.A O no hydrogen 3.310 N/A SER 92.A OG ASP 66.A OD1 no hydrogen 2.761 N/A GLN 94.A N HIS 110.A O no hydrogen 2.951 N/A ALA 95.A N TYR 10.A O no hydrogen 2.875 N/A MET 96.A N ALA 108.A O no hydrogen 2.857 N/A ILE 97.A N ASN 12.A O no hydrogen 2.812 N/A THR 98.A N ILE 106.A O no hydrogen 3.020 N/A THR 99.A N MET 14.A O no hydrogen 2.822 N/A THR 99.A OG1 GLN 105.A OE1 no hydrogen 2.803 N/A ASP 100.A N ASN 104.A O no hydrogen 2.766 N/A LEU 101.A N GLY 18.A O no hydrogen 3.014 N/A ASP 102.A N ASP 100.A OD1 no hydrogen 3.246 N/A ASN 103.A N ASP 100.A O no hydrogen 2.684 N/A ASN 104.A N ASP 100.A OD1 no hydrogen 2.735 N/A ASN 104.A ND2 ASP 100.A OD1 no hydrogen 3.016 N/A ASN 104.A ND2 ASP 100.A OD2 no hydrogen 3.229 N/A ILE 106.A N THR 98.A O no hydrogen 3.023 N/A ALA 108.A N MET 96.A O no hydrogen 2.959 N/A HIS 110.A N GLN 94.A O no hydrogen 2.792 N/A ALA 113.A N TYR 91.A O no hydrogen 2.808 N/A MET 114.A N PRO 111.A O no hydrogen 2.853 N/A MET 115.A N GLY 112.A O no hydrogen 3.081 N/A GLN 116.A N ALA 113.A O no hydrogen 2.957 N/A SER 117.A N MET 114.A O no hydrogen 2.949 N/A SER 117.A OG MET 114.A O no hydrogen 3.289 N/A SER 117.A OG ASP 136.A OD1 no hydrogen 3.153 N/A VAL 119.A N GLN 116.A O no hydrogen 3.053 N/A ASN 120.A N SER 117.A O no hydrogen 3.208 N/A HIS 121.A ND1 GLU 147.A OE2 no hydrogen 2.623 N/A GLY 123.A N GLU 147.A OE1 no hydrogen 2.873 N/A GLU 124.A N HIS 121.A O no hydrogen 3.060 N/A ALA 125.A N ALA 122.A O no hydrogen 3.156 N/A LYS 126.A N TYR 83.A OH no hydrogen 3.045 N/A LYS 129.A N ALA 1.A O no hydrogen 2.878 N/A ALA 131.A N PRO 154.A O no hydrogen 3.062 N/A ILE 132.A N LEU 3.A O no hydrogen 2.968 N/A VAL 133.A N ILE 156.A O no hydrogen 2.885 N/A GLY 134.A N CYS 5.A O no hydrogen 2.851 N/A GLY 137.A N ASP 136.A OD1 no hydrogen 2.929 N/A MET 141.A N GLY 137.A O no hydrogen 2.888 N/A VAL 142.A N PHE 138.A O no hydrogen 3.002 N/A GLN 143.A N GLN 139.A O no hydrogen 2.943 N/A GLN 143.A NE2 HIS 118.A O no hydrogen 2.904 N/A HIS 144.A N GLY 140.A O no hydrogen 2.790 N/A THR 145.A N MET 141.A O no hydrogen 3.084 N/A THR 145.A OG1 VAL 142.A O no hydrogen 2.675 N/A GLU 146.A N VAL 142.A O no hydrogen 3.005 N/A GLU 147.A N GLN 143.A O no hydrogen 2.824 N/A LEU 148.A N HIS 144.A O no hydrogen 2.873 N/A ALA 149.A N THR 145.A O no hydrogen 3.018 N/A GLN 150.A N GLU 146.A O no hydrogen 2.965 N/A ALA 151.A N GLU 147.A O no hydrogen 2.918 N/A GLY 152.A N ALA 149.A O no hydrogen 3.110 N/A VAL 153.A N LEU 148.A O no hydrogen 2.994 N/A PHE 155.A N THR 179.A OG1 no hydrogen 3.149 N/A ILE 156.A N ALA 131.A O no hydrogen 2.959 N/A PHE 157.A N TYR 180.A O no hydrogen 2.780 N/A ASP 158.A N VAL 133.A O no hydrogen 2.816 N/A GLN 161.A N GLN 161.A OE1 no hydrogen 2.799 N/A GLY 162.A N PRO 159.A O no hydrogen 2.797 N/A LEU 163.A N GLY 160.A O no hydrogen 3.023 N/A LEU 165.A N GLY 162.A O no hydrogen 2.988 N/A PHE 166.A N LEU 163.A O no hydrogen 2.977 N/A THR 170.A N ASP 167.A OD2 no hydrogen 2.942 N/A THR 170.A OG1 ASP 167.A OD2 no hydrogen 2.680 N/A LEU 171.A N ASP 167.A O no hydrogen 2.894 N/A ARG 172.A N GLY 168.A O no hydrogen 2.793 N/A ARG 172.A NH2 THR 195.A O no hydrogen 2.908 N/A ARG 173.A N ALA 169.A O no hydrogen 2.970 N/A SER 174.A N THR 170.A O no hydrogen 2.886 N/A SER 174.A OG THR 170.A O no hydrogen 2.706 N/A ILE 175.A N LEU 171.A O no hydrogen 2.997 N/A GLU 176.A N ARG 172.A O no hydrogen 2.999 N/A LEU 177.A N ARG 173.A O no hydrogen 2.952 N/A ALA 178.A N SER 174.A O no hydrogen 2.957 N/A ALA 178.A N ILE 175.A O no hydrogen 3.252 N/A THR 179.A N PHE 155.A O no hydrogen 2.975 N/A TYR 180.A N PHE 155.A O no hydrogen 3.179 N/A ILE 181.A N ALA 208.A O no hydrogen 3.081 N/A ALA 182.A N PHE 157.A O no hydrogen 3.145 N/A VAL 183.A N ILE 210.A O no hydrogen 2.981 N/A ASN 184.A N GLU 187.A OE1 no hydrogen 2.926 N/A GLU 187.A N ASN 184.A OD1 no hydrogen 2.791 N/A ALA 188.A N ASN 184.A O no hydrogen 2.787 N/A LYS 189.A N ASP 185.A O no hydrogen 3.310 N/A LYS 189.A NZ ASP 193.A OD1 no hydrogen 2.981 N/A LEU 190.A N TYR 186.A O no hydrogen 3.147 N/A VAL 191.A N GLU 187.A O no hydrogen 2.827 N/A CYS 192.A N ALA 188.A O no hydrogen 2.949 N/A CYS 192.A SG ALA 188.A O no hydrogen 3.283 N/A ASP 193.A N LYS 189.A O no hydrogen 2.873 N/A LYS 194.A N LEU 190.A O no hydrogen 2.879 N/A LYS 194.A NZ LEU 163.A O no hydrogen 3.212 N/A LYS 194.A NZ PHE 166.A O no hydrogen 3.015 N/A THR 195.A N VAL 191.A O no hydrogen 2.926 N/A THR 195.A OG1 VAL 191.A O no hydrogen 2.674 N/A THR 195.A OG1 CYS 192.A O no hydrogen 3.371 N/A GLY 196.A N CYS 192.A O no hydrogen 2.901 N/A TRP 197.A N THR 195.A OG1 no hydrogen 3.070 N/A SER 198.A N GLU 201.A OE2 no hydrogen 2.878 N/A SER 198.A OG GLU 201.A OE2 no hydrogen 3.460 N/A GLU 201.A N SER 198.A OG no hydrogen 3.097 N/A ILE 202.A N SER 198.A O no hydrogen 2.944 N/A ALA 203.A N GLU 199.A O no hydrogen 2.902 N/A SER 204.A N ASP 200.A O no hydrogen 2.966 N/A SER 204.A OG GLU 201.A O no hydrogen 2.718 N/A ARG 205.A N ILE 202.A O no hydrogen 2.978 N/A ARG 205.A NH2 GLU 201.A O no hydrogen 3.268 N/A VAL 206.A N ALA 203.A O no hydrogen 3.311 N/A GLN 207.A N THR 179.A O no hydrogen 2.808 N/A LEU 209.A N ARG 221.A O no hydrogen 2.878 N/A ILE 210.A N ILE 181.A O no hydrogen 2.739 N/A ILE 211.A N THR 219.A O no hydrogen 2.834 N/A THR 212.A N VAL 183.A O no hydrogen 2.902 N/A ARG 213.A N GLY 217.A O no hydrogen 2.791 N/A ARG 213.A NE THR 219.A OG1 no hydrogen 2.909 N/A ARG 213.A NH2 THR 219.A OG1 no hydrogen 3.389 N/A HIS 216.A N ARG 213.A O no hydrogen 2.992 N/A GLY 217.A N GLY 214.A O no hydrogen 3.289 N/A ALA 218.A N ILE 229.A O no hydrogen 3.093 N/A THR 219.A N ILE 211.A O no hydrogen 2.820 N/A THR 219.A OG1 GLN 228.A OE1 no hydrogen 2.560 N/A ILE 220.A N GLU 227.A O no hydrogen 2.836 N/A ARG 221.A N LEU 209.A O no hydrogen 2.822 N/A ARG 221.A NH1 ASP 200.A OD1 no hydrogen 3.426 N/A ARG 221.A NH2 GLU 199.A OE2 no hydrogen 3.141 N/A HIS 222.A N GLY 225.A O no hydrogen 2.854 N/A GLU 227.A N ILE 220.A O no hydrogen 2.797 N/A ILE 229.A N ALA 218.A O no hydrogen 2.768 N/A ARG 236.A NE ALA 277.A O no hydrogen 2.623 N/A ARG 236.A NH2 ALA 277.A O no hydrogen 2.865 N/A ILE 238.A N ILE 276.A O no hydrogen 2.813 N/A ASP 239.A N ILE 276.A O no hydrogen 3.198 N/A THR 241.A N ASP 239.A OD1 no hydrogen 3.063 N/A THR 241.A OG1 GLN 105.A OE1 no hydrogen 2.911 N/A THR 241.A OG1 ASP 239.A OD1 no hydrogen 2.719 N/A THR 241.A OG1 ASP 239.A OD2 no hydrogen 3.468 N/A CYS 243.A N PRO 240.A O no hydrogen 2.913 N/A CYS 243.A SG PRO 240.A O no hydrogen 3.346 N/A CYS 243.A SG GLY 272.A O no hydrogen 3.658 N/A ALA 246.A N GLY 242.A O no hydrogen 2.991 N/A PHE 247.A N CYS 243.A O no hydrogen 3.035 N/A ARG 248.A N GLY 244.A O no hydrogen 2.905 N/A ARG 248.A NE ASP 158.A OD1 no hydrogen 2.929 N/A ARG 248.A NE ASP 158.A OD2 no hydrogen 3.113 N/A ARG 248.A NH1 GLY 244.A O no hydrogen 2.956 N/A ARG 248.A NH2 ASP 158.A OD1 no hydrogen 3.181 N/A GLY 249.A N ASP 245.A O no hydrogen 2.967 N/A GLY 250.A N ALA 246.A O no hydrogen 3.121 N/A LEU 251.A N PHE 247.A O no hydrogen 2.874 N/A LEU 252.A N ARG 248.A O no hydrogen 2.857 N/A TYR 253.A N GLY 249.A O no hydrogen 3.075 N/A GLY 254.A N GLY 250.A O no hydrogen 3.012 N/A ILE 255.A N LEU 251.A O no hydrogen 2.891 N/A GLU 256.A N LEU 252.A O no hydrogen 2.995 N/A HIS 257.A N TYR 253.A O no hydrogen 3.027 N/A HIS 257.A ND1 TYR 253.A O no hydrogen 3.233 N/A GLY 258.A N ILE 255.A O no hydrogen 2.999 N/A PHE 259.A N GLY 254.A O no hydrogen 2.965 N/A THR 263.A N ASP 260.A OD1 no hydrogen 2.940 N/A THR 263.A OG1 ASP 260.A OD1 no hydrogen 2.577 N/A THR 263.A OG1 TYR 301.A OH no hydrogen 2.778 N/A ALA 264.A N ASP 260.A O no hydrogen 2.930 N/A GLY 265.A N TRP 261.A O no hydrogen 2.824 N/A ARG 266.A N ALA 262.A O no hydrogen 3.122 N/A ARG 266.A NH1 ALA 262.A O no hydrogen 3.111 N/A LEU 267.A N THR 263.A O no hydrogen 2.889 N/A ALA 268.A N ALA 264.A O no hydrogen 3.035 N/A SER 269.A N GLY 265.A O no hydrogen 2.853 N/A SER 269.A OG PRO 230.A O no hydrogen 2.848 N/A LEU 270.A N ARG 266.A O no hydrogen 2.894 N/A MET 271.A N LEU 267.A O no hydrogen 2.938 N/A GLY 272.A N ALA 268.A O no hydrogen 3.015 N/A ALA 273.A N SER 269.A O no hydrogen 3.065 N/A LEU 274.A N LEU 270.A O no hydrogen 2.941 N/A LYS 275.A N MET 271.A O no hydrogen 3.009 N/A LYS 275.A NZ ASP 239.A O no hydrogen 2.754 N/A LYS 275.A NZ THR 241.A O no hydrogen 3.075 N/A LYS 275.A NZ LYS 275.A O no hydrogen 2.947 N/A LYS 275.A NZ HIS 278.A O no hydrogen 2.973 N/A LYS 275.A NZ GLY 280.A O no hydrogen 2.799 N/A ILE 276.A N GLY 272.A O no hydrogen 3.136 N/A ALA 277.A N LEU 274.A O no hydrogen 3.255 N/A HIS 278.A N LYS 275.A O no hydrogen 3.020 N/A GLY 280.A N ASP 239.A OD2 no hydrogen 2.608 N/A GLN 282.A NE2 ASN 44.A OD1 no hydrogen 2.960 N/A GLN 282.A NE2 TYR 70.A OH no hydrogen 2.849 N/A THR 283.A OG1 GLN 279.A O no hydrogen 2.499 N/A THR 287.A N GLU 290.A OE2 no hydrogen 3.237 N/A ARG 288.A NE.A ASP 292.A OD1 no hydrogen 2.664 N/A ARG 288.A NH1.A LEU 52.A O no hydrogen 2.748 N/A ARG 288.A NH1.A TYR 253.A OH no hydrogen 2.772 N/A ARG 288.A NH2.A ASP 292.A OD1 no hydrogen 3.267 N/A GLU 290.A N THR 287.A OG1 no hydrogen 2.962 N/A ILE 291.A N THR 287.A O no hydrogen 2.927 N/A ASP 292.A N ARG 288.A O no hydrogen 2.878 N/A ALA 293.A N ALA 289.A O no hydrogen 3.041 N/A ARG 294.A N GLU 290.A O no hydrogen 2.759 N/A ARG 294.A NE GLU 290.A OE1 no hydrogen 2.799 N/A ARG 294.A NH1 GLU 235.A OE1 no hydrogen 3.058 N/A ARG 294.A NH1 GLU 235.A OE2 no hydrogen 3.448 N/A ARG 294.A NH1 GLU 290.A OE1 no hydrogen 3.307 N/A ARG 294.A NH2 GLU 235.A OE2 no hydrogen 2.798 N/A PHE 295.A N ILE 291.A O no hydrogen 2.866 N/A GLU 296.A N ASP 292.A O no hydrogen 3.099 N/A THR 297.A N ALA 293.A O no hydrogen 2.965 N/A THR 297.A OG1 ALA 293.A O no hydrogen 3.012 N/A ALA 298.A N ARG 294.A O no hydrogen 2.824 N/A PHE 299.A N PHE 295.A O no hydrogen 2.771 N/A GLY 300.A N GLU 296.A O no hydrogen 2.893 N/A TYR 301.A OH THR 263.A OG1 no hydrogen 2.778 N/A