Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2npq_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 2.A NH2 PRO 86.A O no hydrogen 3.049 N/A TYR 6.A N VAL 17.A O no hydrogen 3.008 N/A TYR 6.A OH TYR 21.A O no hydrogen 2.608 N/A ARG 7.A NH1 GLU 16.A OE1 no hydrogen 3.330 N/A LEU 10.A N THR 13.A O no hydrogen 2.960 N/A ASN 11.A ND2 VAL 32.A O no hydrogen 3.653 N/A THR 13.A N LEU 10.A O no hydrogen 2.854 N/A THR 13.A OG1 ASN 11.A O no hydrogen 2.960 N/A TRP 15.A N GLN 8.A O no hydrogen 3.413 N/A GLU 16.A N TYR 97.A OH no hydrogen 3.099 N/A VAL 17.A N TYR 6.A O no hydrogen 3.227 N/A GLU 19.A N THR 4.A O no hydrogen 3.065 N/A ARG 20.A NE ASP 37.A OD1 no hydrogen 2.835 N/A ARG 20.A NH2 ASP 37.A OD1 no hydrogen 3.325 N/A ARG 20.A NH2 ASP 37.A OD2 no hydrogen 2.654 N/A TYR 21.A N PRO 18.A O no hydrogen 3.073 N/A TYR 21.A OH ASP 82.A OD2 no hydrogen 2.701 N/A GLN 22.A N PHE 36.A O no hydrogen 2.895 N/A GLN 22.A NE2 GLU 19.A O no hydrogen 2.769 N/A SER 25.A N ALA 34.A O no hydrogen 3.090 N/A VAL 27.A N VAL 32.A O no hydrogen 3.036 N/A SER 31.A N LYS 48.A O no hydrogen 3.203 N/A VAL 32.A N GLY 28.A O no hydrogen 2.996 N/A CYS 33.A N VAL 46.A O no hydrogen 2.941 N/A ALA 34.A N SER 25.A O no hydrogen 2.880 N/A ALA 35.A N VAL 44.A O no hydrogen 2.915 N/A PHE 36.A N GLN 22.A O no hydrogen 3.002 N/A ASP 37.A N LEU 42.A O no hydrogen 2.839 N/A THR 38.A N ARG 20.A O no hydrogen 2.807 N/A THR 38.A OG1 ARG 20.A O no hydrogen 2.847 N/A LYS 39.A N ASP 37.A OD1 no hydrogen 3.316 N/A THR 40.A N ASP 37.A O no hydrogen 3.280 N/A THR 40.A OG1 ASP 37.A O no hydrogen 3.567 N/A THR 40.A OG1 ASP 37.A OD2 no hydrogen 2.893 N/A GLY 41.A N ASP 37.A O no hydrogen 2.910 N/A LEU 42.A N THR 40.A OG1 no hydrogen 3.340 N/A VAL 44.A N ALA 35.A O no hydrogen 2.983 N/A ALA 45.A N THR 100.A O no hydrogen 2.787 N/A VAL 46.A N CYS 33.A O no hydrogen 2.917 N/A LYS 47.A N LEU 98.A O no hydrogen 2.775 N/A LYS 47.A NZ GLU 65.A OE1 no hydrogen 2.506 N/A LYS 47.A NZ GLU 65.A OE2 no hydrogen 3.464 N/A LYS 48.A N SER 31.A O no hydrogen 2.936 N/A LYS 48.A NZ ILE 14.A O no hydrogen 2.640 N/A LEU 49.A N VAL 96.A O no hydrogen 3.012 N/A ARG 51.A NH1 GLN 54.A OE1 no hydrogen 3.106 N/A GLN 54.A N ARG 51.A O no hydrogen 3.314 N/A SER 55.A OG HIS 58.A ND1 no hydrogen 2.667 N/A HIS 58.A N SER 55.A OG no hydrogen 3.191 N/A HIS 58.A ND1 SER 55.A OG no hydrogen 2.667 N/A ALA 59.A N SER 55.A O no hydrogen 2.903 N/A LYS 60.A N ILE 56.A O no hydrogen 2.873 N/A LYS 60.A NZ GLU 303.A O no hydrogen 2.943 N/A LYS 60.A NZ ARG 305.A O no hydrogen 2.945 N/A ARG 61.A N ILE 57.A O no hydrogen 2.964 N/A THR 62.A N HIS 58.A O no hydrogen 2.935 N/A THR 62.A OG1 PRO 52.A O no hydrogen 2.782 N/A THR 62.A OG1 HIS 58.A O no hydrogen 3.032 N/A TYR 63.A N ALA 59.A O no hydrogen 3.108 N/A ARG 64.A N LYS 60.A O no hydrogen 2.828 N/A ARG 64.A NE GLU 303.A OE1 no hydrogen 3.454 N/A ARG 64.A NE GLU 303.A OE2 no hydrogen 2.715 N/A ARG 64.A NH2 GLU 303.A OE1 no hydrogen 2.852 N/A GLU 65.A N ARG 61.A O no hydrogen 2.943 N/A LEU 66.A N THR 62.A O no hydrogen 3.070 N/A ARG 67.A N TYR 63.A O no hydrogen 2.874 N/A ARG 67.A NH1 TYR 63.A OH no hydrogen 3.083 N/A ARG 67.A NH2 ASP 299.A O no hydrogen 3.202 N/A LEU 68.A N ARG 64.A O no hydrogen 2.973 N/A LEU 69.A N GLU 65.A O no hydrogen 2.959 N/A LYS 70.A N LEU 66.A O no hydrogen 2.972 N/A LYS 70.A NZ GLU 319.A O no hydrogen 2.792 N/A LYS 70.A NZ GLU 319.A OE1 no hydrogen 2.792 N/A HIS 71.A N ARG 67.A O no hydrogen 3.117 N/A HIS 71.A N LEU 68.A O no hydrogen 2.956 N/A HIS 71.A NE2 ASP 296.A O no hydrogen 2.769 N/A MET 72.A N LEU 68.A O no hydrogen 3.244 N/A LYS 73.A N TYR 129.A OH no hydrogen 2.996 N/A ASN 76.A N HIS 74.A ND1 no hydrogen 2.966 N/A ASN 76.A ND2 GLN 122.A OE1 no hydrogen 3.481 N/A ASN 76.A ND2 LEU 153.A O no hydrogen 2.974 N/A VAL 77.A N HIS 74.A O no hydrogen 3.157 N/A ILE 78.A N ILE 155.A O no hydrogen 2.994 N/A LEU 81.A N VAL 99.A O no hydrogen 2.850 N/A ASP 82.A N VAL 99.A O no hydrogen 3.359 N/A PHE 84.A N TYR 97.A O no hydrogen 3.000 N/A THR 85.A OG1 ASP 95.A O no hydrogen 2.796 N/A ALA 87.A N THR 85.A OG1 no hydrogen 3.255 N/A ARG 88.A N GLU 92.A OE1 no hydrogen 3.052 N/A GLU 92.A N SER 89.A O no hydrogen 3.168 N/A GLU 92.A N SER 89.A OG no hydrogen 3.274 N/A PHE 93.A N LEU 90.A O no hydrogen 2.949 N/A TYR 97.A N PHE 84.A O no hydrogen 3.049 N/A LEU 98.A N LYS 47.A O no hydrogen 2.890 N/A VAL 99.A N ASP 82.A O no hydrogen 2.856 N/A THR 100.A N ALA 45.A O no hydrogen 2.930 N/A THR 100.A OG1 HIS 101.A O no hydrogen 3.555 N/A LEU 102.A N ARG 43.A O no hydrogen 3.033 N/A LEU 107.A N PRO 142.A O no hydrogen 3.278 N/A LEU 107.A N LEU 145.A O no hydrogen 3.053 N/A ASN 108.A N ASP 106.A OD1 no hydrogen 3.029 N/A HIS 115.A N THR 112.A O no hydrogen 3.069 N/A HIS 115.A N THR 112.A OG1 no hydrogen 3.225 N/A VAL 116.A N THR 112.A O no hydrogen 2.878 N/A GLN 117.A N ASP 113.A O no hydrogen 2.859 N/A GLN 117.A NE2 ASP 113.A OD2 no hydrogen 2.882 N/A PHE 118.A N ASP 114.A O no hydrogen 3.202 N/A LEU 119.A N HIS 115.A O no hydrogen 3.074 N/A ILE 120.A N VAL 116.A O no hydrogen 3.004 N/A TYR 121.A N GLN 117.A O no hydrogen 2.908 N/A TYR 121.A OH GLU 292.A OE2 no hydrogen 2.753 N/A GLN 122.A N PHE 118.A O no hydrogen 3.192 N/A GLN 122.A NE2 PHE 118.A O no hydrogen 3.144 N/A GLN 122.A NE2 CYS 151.A O no hydrogen 2.870 N/A ILE 123.A N LEU 119.A O no hydrogen 3.054 N/A LEU 124.A N ILE 120.A O no hydrogen 2.919 N/A ARG 125.A N TYR 121.A O no hydrogen 2.833 N/A ARG 125.A NE ASP 291.A O no hydrogen 2.896 N/A ARG 125.A NH1 GLU 75.A OE1 no hydrogen 2.941 N/A ARG 125.A NH1 ASN 76.A OD1 no hydrogen 2.949 N/A ARG 125.A NH2 GLU 75.A OE1 no hydrogen 3.230 N/A ARG 125.A NH2 GLU 75.A OE2 no hydrogen 3.497 N/A ARG 125.A NH2 ASP 291.A O no hydrogen 3.013 N/A ARG 125.A NH2 ASP 291.A OD1 no hydrogen 3.252 N/A GLY 126.A N GLN 122.A O no hydrogen 3.003 N/A LEU 127.A N ILE 123.A O no hydrogen 2.784 N/A LYS 128.A N LEU 124.A O no hydrogen 2.859 N/A LYS 128.A NZ GLU 292.A O no hydrogen 2.853 N/A TYR 129.A N ARG 125.A O no hydrogen 3.325 N/A TYR 129.A OH HIS 71.A O no hydrogen 3.285 N/A ILE 130.A N GLY 126.A O no hydrogen 2.988 N/A HIS 131.A N LEU 127.A O no hydrogen 2.830 N/A HIS 131.A NE2 ASP 180.A OD2 no hydrogen 2.779 N/A SER 132.A N LYS 128.A O no hydrogen 2.928 N/A SER 132.A OG LYS 128.A O no hydrogen 3.450 N/A SER 132.A OG TYR 129.A O no hydrogen 2.512 N/A ALA 133.A N TYR 129.A O no hydrogen 3.281 N/A ALA 133.A N ILE 130.A O no hydrogen 3.064 N/A ASP 134.A N HIS 131.A O no hydrogen 3.000 N/A ILE 135.A N ILE 130.A O no hydrogen 3.289 N/A HIS 137.A N ASP 180.A OD2 no hydrogen 2.891 N/A HIS 137.A NE2 LEU 156.A O no hydrogen 2.871 N/A ARG 138.A N ASP 180.A OD1 no hydrogen 2.843 N/A ASP 139.A N HIS 137.A ND1 no hydrogen 3.114 N/A LYS 141.A NZ ASP 139.A OD2 no hydrogen 2.943 N/A ASN 144.A N LYS 141.A O no hydrogen 2.887 N/A ASN 144.A ND2 ASP 139.A O no hydrogen 2.654 N/A LEU 145.A N PRO 142.A O no hydrogen 3.149 N/A ALA 146.A N LYS 154.A O no hydrogen 2.918 N/A VAL 147.A N ALA 105.A O no hydrogen 3.127 N/A ASN 148.A N GLU 152.A O no hydrogen 3.090 N/A ASN 148.A ND2 GLU 152.A OE1 no hydrogen 2.915 N/A CYS 151.A N ASN 148.A O no hydrogen 3.263 N/A CYS 151.A SG GLU 149.A O no hydrogen 3.929 N/A GLU 152.A N ASN 148.A OD1 no hydrogen 2.969 N/A LEU 153.A N GLN 122.A OE1 no hydrogen 2.806 N/A LYS 154.A N ALA 146.A O no hydrogen 2.833 N/A LYS 154.A NZ GLU 75.A O no hydrogen 2.904 N/A ILE 155.A N ASN 76.A O no hydrogen 2.871 N/A LEU 156.A N ASN 144.A O no hydrogen 2.890 N/A ARG 161.A NE GLN 206.A OE1 no hydrogen 2.871 N/A TRP 162.A NE1 GLY 200.A O no hydrogen 2.866 N/A TYR 163.A OH GLU 190.A OE1 no hydrogen 2.610 N/A TYR 163.A OH GLU 190.A OE2 no hydrogen 3.415 N/A ARG 164.A N ARG 161.A O no hydrogen 3.181 N/A GLU 167.A N GLU 167.A OE1 no hydrogen 2.746 N/A ILE 168.A N ALA 165.A O no hydrogen 3.046 N/A MET 169.A N ALA 165.A O no hydrogen 3.397 N/A LEU 170.A N PRO 166.A O no hydrogen 3.046 N/A LEU 170.A N GLU 167.A O no hydrogen 3.307 N/A ASN 171.A N ILE 168.A O no hydrogen 3.048 N/A TRP 172.A N GLU 167.A O no hydrogen 3.021 N/A MET 173.A N TYR 175.A OH no hydrogen 3.366 N/A GLN 177.A NE2 HIS 131.A O no hydrogen 2.873 N/A THR 178.A OG1 SER 268.A O no hydrogen 3.002 N/A VAL 179.A N ASN 176.A O no hydrogen 3.123 N/A ASP 180.A N GLN 177.A O no hydrogen 2.996 N/A TRP 182.A N THR 178.A O no hydrogen 3.317 N/A SER 183.A N VAL 179.A O no hydrogen 3.420 N/A SER 183.A OG TYR 163.A O no hydrogen 2.696 N/A SER 183.A OG VAL 179.A O no hydrogen 3.461 N/A VAL 184.A N ASP 180.A O no hydrogen 3.032 N/A GLY 185.A N ILE 181.A O no hydrogen 2.941 N/A CYS 186.A N TRP 182.A O no hydrogen 3.090 N/A CYS 186.A SG TRP 162.A O no hydrogen 3.901 N/A CYS 186.A SG TRP 182.A O no hydrogen 3.577 N/A ILE 187.A N SER 183.A O no hydrogen 2.990 N/A MET 188.A N VAL 184.A O no hydrogen 2.858 N/A ALA 189.A N GLY 185.A O no hydrogen 2.921 N/A GLU 190.A N CYS 186.A O no hydrogen 3.267 N/A LEU 191.A N ILE 187.A O no hydrogen 2.944 N/A LEU 192.A N MET 188.A O no hydrogen 3.002 N/A LEU 192.A N ALA 189.A O no hydrogen 3.063 N/A THR 193.A N ALA 189.A O no hydrogen 3.041 N/A THR 193.A OG1 ALA 189.A O no hydrogen 3.146 N/A ARG 195.A N THR 193.A OG1 no hydrogen 3.023 N/A GLY 200.A N PHE 198.A O no hydrogen 2.821 N/A THR 201.A N ASP 205.A OD2 no hydrogen 2.957 N/A THR 201.A OG1 ASP 205.A OD2 no hydrogen 3.205 N/A ASP 205.A N ASP 202.A OD1 no hydrogen 2.736 N/A GLN 206.A N ASP 202.A O no hydrogen 2.950 N/A GLN 206.A NE2 ARG 161.A O no hydrogen 2.737 N/A LEU 207.A N HIS 203.A O no hydrogen 2.974 N/A LYS 208.A N ILE 204.A O no hydrogen 2.916 N/A LYS 208.A NZ ASP 205.A OD1 no hydrogen 2.750 N/A LEU 209.A N ASP 205.A O no hydrogen 3.073 N/A ILE 210.A N GLN 206.A O no hydrogen 3.042 N/A LEU 211.A N LEU 207.A O no hydrogen 2.947 N/A ARG 212.A N LYS 208.A O no hydrogen 3.121 N/A LEU 213.A N LEU 209.A O no hydrogen 3.406 N/A LEU 213.A N ILE 210.A O no hydrogen 3.134 N/A VAL 214.A N ILE 210.A O no hydrogen 3.013 N/A GLY 215.A N LEU 211.A O no hydrogen 2.638 N/A THR 216.A N MET 240.A O no hydrogen 3.133 N/A THR 216.A OG1 MET 240.A O no hydrogen 3.388 N/A LEU 222.A N GLY 218.A O no hydrogen 3.045 N/A LYS 223.A N ALA 219.A O no hydrogen 3.146 N/A LYS 224.A N LEU 221.A O no hydrogen 2.998 N/A LYS 224.A NZ ASP 267.A OD1 no hydrogen 2.846 N/A LYS 224.A NZ ASP 267.A OD2 no hydrogen 2.687 N/A LYS 224.A NZ ASP 269.A OD2 no hydrogen 2.504 N/A ILE 225.A N LEU 222.A O no hydrogen 3.164 N/A SER 229.A OG SER 227.A OG no hydrogen 3.377 N/A ALA 230.A N SER 227.A OG no hydrogen 3.060 N/A ARG 231.A N SER 227.A O no hydrogen 2.918 N/A ARG 231.A NH1 ILE 225.A O no hydrogen 2.793 N/A ASN 232.A N GLU 228.A O no hydrogen 2.975 N/A TYR 233.A N SER 229.A O no hydrogen 3.111 N/A ILE 234.A N ALA 230.A O no hydrogen 3.006 N/A GLN 235.A N ARG 231.A O no hydrogen 3.111 N/A SER 236.A N TYR 233.A O no hydrogen 3.007 N/A SER 236.A OG TYR 233.A O no hydrogen 2.631 N/A LEU 237.A N ILE 234.A O no hydrogen 3.176 N/A MET 240.A N THR 216.A OG1 no hydrogen 3.175 N/A LYS 242.A NZ MET 243.A O no hydrogen 2.702 N/A LYS 242.A NZ GLU 261.A OE1 no hydrogen 2.659 N/A MET 243.A N LEU 213.A O no hydrogen 2.982 N/A ASN 247.A N ASN 244.A O no hydrogen 3.109 N/A VAL 248.A N PHE 245.A O no hydrogen 2.923 N/A PHE 249.A N PHE 245.A O no hydrogen 2.916 N/A ALA 252.A N PHE 249.A O no hydrogen 3.263 N/A ASN 253.A ND2 ASP 113.A OD2 no hydrogen 2.858 N/A LEU 255.A N ASN 253.A OD1 no hydrogen 2.902 N/A VAL 257.A N ASN 253.A O no hydrogen 3.104 N/A ASP 258.A N PRO 254.A O no hydrogen 2.988 N/A LEU 259.A N LEU 255.A O no hydrogen 2.980 N/A LEU 260.A N ALA 256.A O no hydrogen 2.900 N/A GLU 261.A N VAL 257.A O no hydrogen 2.996 N/A LYS 262.A N ASP 258.A O no hydrogen 3.247 N/A LYS 262.A N LEU 259.A O no hydrogen 3.018 N/A LYS 262.A NZ ASP 258.A OD2 no hydrogen 2.799 N/A MET 263.A N LEU 259.A O no hydrogen 3.107 N/A MET 263.A N LEU 260.A O no hydrogen 3.162 N/A LEU 264.A N LEU 260.A O no hydrogen 2.942 N/A ASP 269.A N ASP 267.A OD1 no hydrogen 3.147 N/A LYS 270.A N ASP 267.A O no hydrogen 2.952 N/A ARG 271.A N SER 268.A O no hydrogen 3.412 N/A ARG 271.A NE VAL 265.A O no hydrogen 2.805 N/A ARG 271.A NH1 GLU 167.A OE2 no hydrogen 2.903 N/A ARG 271.A NH1 THR 178.A O no hydrogen 3.150 N/A ARG 271.A NH2 GLU 167.A OE1 no hydrogen 2.882 N/A ARG 271.A NH2 GLU 167.A OE2 no hydrogen 3.442 N/A ARG 271.A NH2 VAL 265.A O no hydrogen 3.337 N/A ARG 271.A NH2 LEU 266.A O no hydrogen 2.902 N/A ILE 272.A N LYS 262.A O no hydrogen 3.014 N/A GLN 276.A N THR 273.A OG1 no hydrogen 3.106 N/A ALA 277.A N THR 273.A O no hydrogen 2.852 N/A LEU 278.A N ALA 274.A O no hydrogen 3.010 N/A ALA 279.A N GLN 276.A O no hydrogen 3.114 N/A HIS 280.A N ALA 277.A O no hydrogen 3.020 N/A HIS 280.A NE2 ASP 258.A OD2 no hydrogen 2.746 N/A TYR 282.A N HIS 280.A ND1 no hydrogen 3.049 N/A TYR 282.A OH ASP 113.A OD1 no hydrogen 2.691 N/A PHE 283.A N HIS 280.A O no hydrogen 2.997 N/A ALA 284.A N ALA 281.A O no hydrogen 3.088 N/A GLN 285.A NE2 ASP 114.A OD1 no hydrogen 3.256 N/A GLN 285.A NE2 GLN 117.A OE1 no hydrogen 2.654 N/A TYR 286.A N PHE 283.A O no hydrogen 2.869 N/A TYR 286.A OH ASP 114.A O no hydrogen 2.974 N/A HIS 287.A N PHE 283.A O no hydrogen 2.931 N/A HIS 287.A ND1 GLU 292.A OE2 no hydrogen 2.810 N/A ASP 288.A N GLU 292.A OE2 no hydrogen 3.208 N/A ASP 290.A N ASP 288.A OD1 no hydrogen 3.037 N/A ASP 291.A N ASP 288.A O no hydrogen 2.904 N/A ALA 295.A N SER 132.A OG no hydrogen 2.859 N/A SER 301.A N ASP 299.A OD1 no hydrogen 3.075 N/A SER 301.A OG ASP 299.A OD1 no hydrogen 2.646 N/A GLU 303.A N GLN 300.A O no hydrogen 2.997 N/A SER 304.A N SER 301.A O no hydrogen 3.122 N/A SER 304.A OG SER 301.A O no hydrogen 2.944 N/A ARG 305.A N PHE 302.A O no hydrogen 2.950 N/A ARG 305.A NH2 SER 301.A OG no hydrogen 2.885 N/A LEU 308.A N GLU 311.A OE1 no hydrogen 2.958 N/A TRP 312.A N LEU 308.A O no hydrogen 3.013 N/A LYS 313.A N ILE 309.A O no hydrogen 2.830 N/A LYS 313.A NZ PHE 93.A O no hydrogen 2.741 N/A LYS 313.A NZ ASN 94.A OD1 no hydrogen 3.465 N/A SER 314.A N ASP 310.A O no hydrogen 2.979 N/A LEU 315.A N GLU 311.A O no hydrogen 3.033 N/A THR 316.A N TRP 312.A O no hydrogen 3.011 N/A THR 316.A OG1 TRP 312.A O no hydrogen 2.935 N/A TYR 317.A N LYS 313.A O no hydrogen 2.894 N/A ASP 318.A N SER 314.A O no hydrogen 2.920 N/A GLU 319.A N LEU 315.A O no hydrogen 3.116 N/A VAL 320.A N THR 316.A O no hydrogen 2.943 N/A ILE 321.A N TYR 317.A O no hydrogen 2.977 N/A SER 322.A N ASP 318.A O no hydrogen 3.057 N/A SER 322.A OG ASP 318.A O no hydrogen 3.075 N/A SER 322.A OG GLU 319.A O no hydrogen 3.527 N/A PHE 323.A N VAL 320.A O no hydrogen 3.334 N/A