Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4ccq_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): HIS 4.A N LEU 108.A O no hydrogen 3.058 N/A VAL 7.A N SER 111.A O no hydrogen 3.128 N/A ILE 8.A N VAL 30.A O no hydrogen 2.755 N/A ILE 9.A N ILE 113.A O no hydrogen 2.788 N/A GLY 10.A N TYR 32.A O no hydrogen 2.864 N/A SER 11.A OG GLU 33.A O no hydrogen 2.880 N/A HIS 16.A N GLY 12.A O no hydrogen 2.950 N/A HIS 16.A ND1 SER 75.A OG no hydrogen 2.855 N/A THR 17.A N PRO 13.A O no hydrogen 2.990 N/A THR 17.A OG1 PRO 13.A O no hydrogen 2.821 N/A ALA 18.A N ALA 14.A O no hydrogen 2.942 N/A ALA 19.A N ALA 15.A O no hydrogen 2.930 N/A ILE 20.A N HIS 16.A O no hydrogen 2.876 N/A TYR 21.A N THR 17.A O no hydrogen 3.073 N/A LEU 22.A N ALA 18.A O no hydrogen 2.832 N/A GLY 23.A N ALA 19.A O no hydrogen 2.792 N/A ARG 24.A N ILE 20.A O no hydrogen 2.881 N/A SER 25.A N TYR 21.A O no hydrogen 3.157 N/A SER 25.A OG TYR 21.A O no hydrogen 3.346 N/A SER 25.A OG GLU 307.A OE1 no hydrogen 2.861 N/A SER 25.A OG GLU 307.A OE2 no hydrogen 3.039 N/A SER 26.A N GLY 23.A O no hydrogen 2.914 N/A LEU 27.A N LEU 22.A O no hydrogen 3.125 N/A VAL 30.A N VAL 6.A O no hydrogen 3.232 N/A MET 31.A N THR 81.A O no hydrogen 2.851 N/A TYR 32.A N ILE 8.A O no hydrogen 2.869 N/A GLU 33.A N ILE 83.A O no hydrogen 2.947 N/A GLY 34.A N GLU 85.A O no hydrogen 3.005 N/A PHE 35.A N THR 86.A OG1 no hydrogen 2.977 N/A GLY 39.A N MET 36.A O no hydrogen 3.012 N/A VAL 40.A N ALA 37.A O no hydrogen 3.130 N/A GLY 43.A N SER 11.A OG no hydrogen 3.003 N/A GLY 44.A N ALA 41.A O no hydrogen 3.118 N/A THR 47.A N GLY 44.A O no hydrogen 2.875 N/A THR 47.A OG1 GLY 44.A O no hydrogen 2.683 N/A THR 48.A N GLN 45.A O no hydrogen 2.924 N/A THR 48.A OG1 GLN 45.A O no hydrogen 2.661 N/A THR 49.A N LEU 46.A O no hydrogen 3.400 N/A ILE 51.A N THR 50.A OG1 no hydrogen 2.627 N/A ILE 52.A N ILE 62.A O no hydrogen 2.807 N/A PHE 58.A N PHE 55.A O no hydrogen 3.395 N/A GLY 61.A N PHE 58.A O no hydrogen 3.002 N/A ILE 62.A N ILE 52.A O no hydrogen 2.948 N/A GLY 64.A N THR 50.A O no hydrogen 2.842 N/A ASN 65.A ND2 THR 47.A O no hydrogen 3.209 N/A GLU 66.A N ASP 63.A OD2 no hydrogen 3.012 N/A LEU 67.A N ASP 63.A O no hydrogen 2.864 N/A MET 68.A N GLY 64.A O no hydrogen 3.024 N/A MET 69.A N.A ASN 65.A O no hydrogen 2.782 N/A MET 69.A N.B ASN 65.A O no hydrogen 2.777 N/A ASN 70.A N GLU 66.A O no hydrogen 2.895 N/A MET 71.A N LEU 67.A O no hydrogen 2.960 N/A ARG 72.A N MET 68.A O no hydrogen 2.940 N/A ARG 72.A NE GLU 33.A OE1 no hydrogen 2.925 N/A ARG 72.A NH2 GLU 33.A OE2 no hydrogen 2.901 N/A THR 73.A N MET 69.A O.A no hydrogen 2.891 N/A THR 73.A N MET 69.A O.B no hydrogen 2.902 N/A THR 73.A OG1 MET 69.A O.A no hydrogen 2.998 N/A THR 73.A OG1 MET 69.A O.B no hydrogen 3.021 N/A GLN 74.A N ASN 70.A O no hydrogen 3.003 N/A SER 75.A N MET 71.A O no hydrogen 2.904 N/A SER 75.A OG HIS 16.A ND1 no hydrogen 2.855 N/A SER 75.A OG HIS 16.A O no hydrogen 3.350 N/A SER 75.A OG MET 71.A O no hydrogen 3.223 N/A GLU 76.A N ARG 72.A O no hydrogen 2.972 N/A LYS 77.A N THR 73.A O no hydrogen 2.822 N/A TYR 78.A N GLN 74.A O no hydrogen 3.202 N/A GLY 79.A N GLU 76.A O no hydrogen 3.056 N/A THR 80.A N SER 75.A O no hydrogen 3.070 N/A THR 80.A OG1 SER 75.A O no hydrogen 2.967 N/A THR 81.A N PRO 29.A O no hydrogen 2.994 N/A ILE 83.A N MET 31.A O no hydrogen 2.756 N/A THR 84.A OG1 GLU 33.A OE2 no hydrogen 2.700 N/A GLU 85.A N ILE 83.A O no hydrogen 2.939 N/A ASP 88.A N PHE 100.A O no hydrogen 2.762 N/A HIS 89.A N PHE 100.A O no hydrogen 3.435 N/A HIS 89.A ND1 ASP 88.A OD2 no hydrogen 2.731 N/A ASP 91.A N LYS 98.A O no hydrogen 2.768 N/A SER 93.A N ASP 91.A OD1 no hydrogen 2.940 N/A SER 93.A OG ASP 91.A OD1 no hydrogen 2.676 N/A SER 93.A OG ASP 91.A OD2 no hydrogen 3.477 N/A PHE 97.A N THR 109.A O no hydrogen 2.753 N/A LYS 98.A N ASP 91.A O no hydrogen 3.064 N/A LEU 99.A N VAL 107.A O no hydrogen 2.831 N/A PHE 100.A N HIS 89.A O no hydrogen 2.847 N/A THR 101.A N LYS 105.A O no hydrogen 2.925 N/A GLU 102.A N.A THR 86.A O no hydrogen 2.926 N/A GLU 102.A N.B THR 86.A O no hydrogen 2.961 N/A GLY 104.A N THR 101.A O no hydrogen 2.834 N/A GLY 104.A N THR 101.A OG1 no hydrogen 3.249 N/A LYS 105.A N THR 101.A OG1 no hydrogen 2.993 N/A VAL 107.A N LEU 99.A O no hydrogen 2.721 N/A THR 109.A N PHE 97.A O no hydrogen 3.018 N/A THR 109.A OG1 HIS 4.A O no hydrogen 3.336 N/A THR 109.A OG1 SER 111.A O no hydrogen 2.791 N/A LYS 110.A N HIS 4.A O no hydrogen 2.847 N/A LYS 110.A NZ HIS 313.A O no hydrogen 3.174 N/A SER 111.A OG ASP 5.A O no hydrogen 2.784 N/A VAL 112.A N GLY 277.A O no hydrogen 3.065 N/A ILE 113.A N VAL 7.A O no hydrogen 2.757 N/A ILE 114.A N PHE 279.A O no hydrogen 2.739 N/A ALA 115.A N ILE 9.A O no hydrogen 2.753 N/A THR 116.A OG1 ASN 250.A O no hydrogen 2.762 N/A THR 119.A N SER 248.A O.A no hydrogen 2.711 N/A THR 119.A N SER 248.A O.B no hydrogen 2.774 N/A THR 119.A OG1 GLY 38.A O no hydrogen 2.756 N/A THR 119.A OG1 ALA 120.A O no hydrogen 3.566 N/A LYS 121.A N GLY 246.A O no hydrogen 2.765 N/A ARG 122.A NE GLU 128.A OE2 no hydrogen 3.183 N/A HIS 124.A N GLU 128.A OE2 no hydrogen 2.944 N/A HIS 124.A ND1 ASP 129.A OD1 no hydrogen 3.026 N/A VAL 125.A N GLU 128.A OE1 no hydrogen 3.251 N/A GLU 128.A N VAL 125.A O no hydrogen 2.923 N/A LYS 130.A NZ GLY 217.A O no hydrogen 2.567 N/A TYR 131.A N GLY 127.A O no hydrogen 3.149 N/A TRP 132.A N GLU 128.A O no hydrogen 2.762 N/A GLN 133.A N VAL 136.A O no hydrogen 2.966 N/A ASN 134.A N TYR 131.A O no hydrogen 2.727 N/A VAL 136.A N TYR 131.A O no hydrogen 2.953 N/A SER 137.A N LEU 241.A O no hydrogen 2.819 N/A SER 137.A OG CYS 139.A O no hydrogen 3.479 N/A SER 137.A OG ASP 143.A OD2 no hydrogen 2.623 N/A CYS 139.A N SER 137.A OG no hydrogen 2.974 N/A ALA 140.A N GLU 166.A OE2 no hydrogen 2.672 N/A ASP 143.A N CYS 139.A O no hydrogen 2.923 N/A GLY 144.A N ALA 140.A O no hydrogen 2.734 N/A VAL 146.A N ASP 143.A O no hydrogen 3.085 N/A PHE 149.A N VAL 146.A O no hydrogen 3.034 N/A ARG 150.A N PRO 147.A O no hydrogen 3.082 N/A ARG 150.A NH2 ALA 145.A O no hydrogen 2.863 N/A ASN 151.A N TYR 173.A O no hydrogen 2.824 N/A LYS 152.A N PHE 149.A O no hydrogen 3.143 N/A LEU 154.A N LYS 176.A O no hydrogen 2.916 N/A MET 155.A N GLY 240.A O no hydrogen 2.840 N/A VAL 156.A N ILE 178.A O no hydrogen 2.800 N/A VAL 157.A N PHE 242.A O no hydrogen 2.849 N/A GLY 158.A N LEU 180.A O no hydrogen 2.965 N/A MET 164.A N GLY 160.A O no hydrogen 3.063 N/A GLU 165.A N ASP 161.A O no hydrogen 2.977 N/A GLU 166.A N ALA 162.A O no hydrogen 2.727 N/A ALA 167.A N ALA 163.A O no hydrogen 2.963 N/A LEU 168.A N MET 164.A O no hydrogen 2.949 N/A HIS 169.A N GLU 165.A O no hydrogen 2.962 N/A LEU 170.A N GLU 166.A O no hydrogen 2.920 N/A THR 171.A N ALA 167.A O no hydrogen 3.239 N/A THR 171.A N LEU 168.A O no hydrogen 3.199 N/A THR 171.A OG1 LEU 168.A O no hydrogen 2.676 N/A LYS 172.A N HIS 169.A O no hydrogen 3.107 N/A TYR 173.A N LEU 170.A O no hydrogen 3.013 N/A GLY 174.A N LEU 170.A O no hydrogen 2.912 N/A SER 175.A N LYS 152.A O no hydrogen 2.802 N/A SER 175.A OG ASN 151.A O no hydrogen 3.430 N/A LYS 176.A NZ GLU 203.A OE1 no hydrogen 3.563 N/A VAL 177.A N LYS 201.A O no hydrogen 2.805 N/A ILE 178.A N LEU 154.A O no hydrogen 2.812 N/A ILE 179.A N GLU 203.A O no hydrogen 2.834 N/A LEU 180.A N VAL 156.A O no hydrogen 2.832 N/A HIS 181.A N ILE 205.A O no hydrogen 2.943 N/A HIS 181.A NE2 ALA 185.A O no hydrogen 2.807 N/A ARG 187.A N GLY 159.A O no hydrogen 2.819 N/A ALA 188.A N GLY 159.A O no hydrogen 3.256 N/A SER 189.A N ASP 161.A OD1 no hydrogen 2.797 N/A SER 189.A OG ASP 161.A OD1 no hydrogen 3.425 N/A LYS 190.A NZ GLU 194.A OE2.B no hydrogen 2.573 N/A MET 192.A N SER 189.A OG no hydrogen 3.283 N/A GLN 193.A N SER 189.A O no hydrogen 2.957 N/A GLU 194.A N.A LYS 190.A O no hydrogen 3.037 N/A GLU 194.A N.B LYS 190.A O no hydrogen 3.086 N/A ARG 195.A N THR 191.A O no hydrogen 3.187 N/A VAL 196.A N MET 192.A O no hydrogen 3.105 N/A LEU 197.A N GLN 193.A O no hydrogen 2.788 N/A ASN 198.A N GLU 194.A O.A no hydrogen 3.321 N/A ASN 198.A N GLU 194.A O.B no hydrogen 3.157 N/A ASN 198.A ND2 GLU 194.A O.A no hydrogen 2.982 N/A ASN 198.A ND2 GLU 194.A O.B no hydrogen 3.070 N/A ASN 198.A ND2 GLU 194.A OE1.A no hydrogen 3.208 N/A HIS 199.A N VAL 196.A O no hydrogen 3.028 N/A LYS 201.A N HIS 199.A ND1 no hydrogen 3.090 N/A LYS 201.A NZ THR 171.A O no hydrogen 2.688 N/A LYS 201.A NZ GLY 174.A O no hydrogen 2.959 N/A ILE 202.A N HIS 199.A O no hydrogen 3.238 N/A GLU 203.A N VAL 177.A O no hydrogen 2.909 N/A ILE 205.A N ILE 179.A O no hydrogen 2.785 N/A ASN 207.A N ARG 183.A O no hydrogen 2.922 N/A ASN 207.A ND2 ARG 182.A O no hydrogen 3.672 N/A SER 208.A N HIS 181.A O no hydrogen 2.967 N/A SER 208.A OG TRP 206.A O no hydrogen 2.779 N/A GLU 209.A N HIS 226.A O no hydrogen 2.878 N/A VAL 211.A N LYS 224.A O no hydrogen 2.873 N/A GLU 212.A N LYS 224.A O no hydrogen 3.341 N/A LEU 213.A N PRO 126.A O no hydrogen 2.853 N/A GLU 214.A N GLY 222.A O no hydrogen 2.863 N/A ASP 216.A N LEU 219.A O no hydrogen 3.038 N/A GLY 217.A N TYR 131.A OH no hydrogen 2.907 N/A ASP 218.A N ASP 216.A OD1 no hydrogen 2.568 N/A LEU 219.A N ASP 216.A OD1 no hydrogen 2.792 N/A LEU 220.A N ASN 134.A O no hydrogen 3.525 N/A ASN 221.A N GLU 214.A O no hydrogen 2.819 N/A GLY 222.A N GLU 214.A O no hydrogen 3.066 N/A ALA 223.A N VAL 236.A O no hydrogen 2.850 N/A LYS 224.A N GLU 212.A O no hydrogen 2.887 N/A ILE 225.A N LYS 234.A O no hydrogen 2.818 N/A HIS 226.A N GLU 209.A O no hydrogen 2.869 N/A ASN 227.A N GLU 232.A O no hydrogen 2.811 N/A LEU 228.A N.A ASN 207.A O no hydrogen 2.774 N/A LEU 228.A N.B ASN 207.A O no hydrogen 2.756 N/A VAL 229.A N ASN 227.A OD1 no hydrogen 2.837 N/A SER 230.A N ASN 227.A OD1 no hydrogen 2.862 N/A GLY 231.A N ASN 227.A O no hydrogen 2.814 N/A GLU 232.A N SER 230.A OG no hydrogen 3.421 N/A LYS 234.A N ILE 225.A O no hydrogen 3.043 N/A VAL 236.A N ALA 223.A O no hydrogen 2.837 N/A VAL 238.A N ASN 221.A O no hydrogen 3.074 N/A ALA 239.A N VAL 153.A O no hydrogen 2.839 N/A LEU 241.A N GLY 135.A O no hydrogen 2.965 N/A PHE 242.A N MET 155.A O no hydrogen 2.781 N/A TYR 243.A N SER 137.A O no hydrogen 3.015 N/A TYR 243.A OH GLU 128.A OE1 no hydrogen 2.346 N/A ALA 244.A N VAL 157.A O no hydrogen 2.826 N/A SER 248.A N.A THR 119.A O no hydrogen 2.860 N/A SER 248.A N.B THR 119.A O no hydrogen 2.822 N/A ASN 250.A N GLY 117.A O no hydrogen 2.818 N/A SER 251.A OG GLY 264.A O no hydrogen 2.589 N/A LEU 254.A N SER 251.A O no hydrogen 3.065 N/A GLY 255.A N LYS 252.A O no hydrogen 3.002 N/A GLN 257.A N LEU 254.A O no hydrogen 2.847 N/A LYS 259.A N SER 274.A OG no hydrogen 2.845 N/A THR 260.A OG1 ALA 261.A O no hydrogen 3.561 N/A ALA 261.A N TYR 265.A O no hydrogen 2.874 N/A GLY 264.A N ALA 261.A O no hydrogen 2.935 N/A ILE 266.A N VAL 284.A O no hydrogen 3.034 N/A LEU 267.A N LYS 259.A O no hydrogen 3.027 N/A THR 268.A OG1 GLY 270.A O no hydrogen 2.887 N/A GLU 269.A N.A LYS 272.A O no hydrogen 2.886 N/A GLU 269.A N.B LYS 272.A O no hydrogen 2.833 N/A LYS 272.A N GLU 269.A O.A no hydrogen 3.035 N/A LYS 272.A N GLU 269.A O.B no hydrogen 2.943 N/A THR 273.A N VAL 278.A O no hydrogen 3.151 N/A THR 273.A OG1 VAL 275.A O no hydrogen 3.252 N/A THR 273.A OG1 VAL 278.A O no hydrogen 2.759 N/A VAL 275.A N THR 273.A OG1 no hydrogen 3.062 N/A VAL 278.A N VAL 275.A O no hydrogen 2.974 N/A PHE 279.A N VAL 112.A O no hydrogen 2.792 N/A ALA 280.A N PRO 271.A O no hydrogen 2.864 N/A CYS 281.A N ILE 114.A O no hydrogen 2.960 N/A CYS 281.A SG ILE 114.A O no hydrogen 3.973 N/A GLY 282.A N SER 298.A OG.A no hydrogen 3.036 N/A GLY 282.A N SER 298.A OG.B no hydrogen 2.917 N/A CYS 285.A N.A GLY 282.A O no hydrogen 2.990 N/A CYS 285.A N.B GLY 282.A O no hydrogen 3.005 N/A CYS 285.A SG.A GLY 282.A O no hydrogen 3.627 N/A CYS 285.A SG.B ILE 266.A O no hydrogen 4.007 N/A ASP 286.A N ASP 283.A O no hydrogen 3.523 N/A ARG 287.A NE ASP 263.A OD2 no hydrogen 2.847 N/A ARG 287.A NH2 ASP 263.A OD1 no hydrogen 2.874 N/A ARG 287.A NH2 ASP 263.A OD2 no hydrogen 3.420 N/A VAL 288.A N ASP 286.A OD1 no hydrogen 2.898 N/A TYR 289.A N ASP 286.A OD1 no hydrogen 2.938 N/A TYR 289.A N ASP 286.A OD2 no hydrogen 3.272 N/A ARG 290.A N ASP 286.A OD2 no hydrogen 2.783 N/A ALA 295.A N GLN 291.A O no hydrogen 2.902 N/A ALA 296.A N ALA 292.A O no hydrogen 2.841 N/A GLY 297.A N ILE 293.A O no hydrogen 3.065 N/A SER 298.A N.A VAL 294.A O no hydrogen 2.846 N/A SER 298.A N.B VAL 294.A O no hydrogen 2.870 N/A SER 298.A OG.B VAL 294.A O no hydrogen 3.538 N/A SER 298.A OG.B ALA 295.A O no hydrogen 2.727 N/A GLY 299.A N ALA 295.A O no hydrogen 2.962 N/A CYS 300.A N ALA 296.A O no hydrogen 3.036 N/A MET 301.A N GLY 297.A O no hydrogen 2.969 N/A ALA 302.A N SER 298.A O.A no hydrogen 2.971 N/A ALA 302.A N SER 298.A O.B no hydrogen 2.938 N/A ALA 303.A N GLY 299.A O no hydrogen 2.942 N/A LEU 304.A N CYS 300.A O no hydrogen 2.894 N/A SER 305.A N.A MET 301.A O no hydrogen 2.969 N/A SER 305.A N.B MET 301.A O no hydrogen 2.951 N/A SER 305.A OG.A MET 301.A O no hydrogen 3.030 N/A CYS 306.A N ALA 302.A O no hydrogen 2.825 N/A CYS 306.A SG SER 111.A OG no hydrogen 3.095 N/A GLU 307.A N ALA 303.A O no hydrogen 2.833 N/A LYS 308.A N LEU 304.A O no hydrogen 3.055 N/A TRP 309.A N SER 305.A O.A no hydrogen 2.920 N/A TRP 309.A N SER 305.A O.B no hydrogen 2.892 N/A TRP 309.A NE1 ASP 276.A OD1.B no hydrogen 3.149 N/A TRP 309.A NE1 ASP 276.A OD2.B no hydrogen 2.944 N/A LEU 310.A N CYS 306.A O no hydrogen 2.858 N/A GLN 311.A N GLU 307.A O no hydrogen 3.232 N/A GLN 311.A N LYS 308.A O no hydrogen 3.065 N/A THR 312.A N TRP 309.A O no hydrogen 3.105 N/A THR 312.A OG1 TRP 309.A O no hydrogen 3.399 N/A THR 312.A OG1 HIS 313.A ND1 no hydrogen 3.119 N/A HIS 313.A N LEU 310.A O no hydrogen 3.374 N/A HIS 313.A ND1 TRP 309.A O no hydrogen 2.788 N/A