Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1ofu_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): VAL 3.A N ASP 87.A OD2 no hydrogen 2.625 N/A LYS 5.A N MET 88.A O no hydrogen 2.877 N/A LYS 5.A NZ VAL 82.A O no hydrogen 3.039 N/A LYS 5.A NZ GLU 84.A O no hydrogen 3.043 N/A VAL 6.A N GLU 29.A O no hydrogen 2.721 N/A ILE 7.A N PHE 90.A O no hydrogen 2.779 N/A GLY 8.A N ILE 31.A O no hydrogen 2.718 N/A VAL 9.A N THR 92.A O no hydrogen 2.932 N/A GLY 10.A N ALA 33.A O no hydrogen 2.819 N/A GLY 14.A N GLY 10.A O no hydrogen 2.853 N/A ASN 15.A N GLY 11.A O no hydrogen 3.070 N/A ALA 16.A N GLY 12.A O no hydrogen 3.080 N/A VAL 17.A N GLY 13.A O no hydrogen 3.097 N/A ASN 18.A N GLY 14.A O no hydrogen 2.844 N/A HIS 19.A N ASN 15.A O no hydrogen 3.007 N/A MET 20.A N ALA 16.A O no hydrogen 2.886 N/A ALA 21.A N VAL 17.A O no hydrogen 2.907 N/A LYS 22.A N HIS 19.A O no hydrogen 3.259 N/A ASN 23.A N HIS 19.A O no hydrogen 3.059 N/A GLU 29.A N ILE 4.A O no hydrogen 2.935 N/A ILE 31.A N VAL 6.A O no hydrogen 2.729 N/A CYS 32.A N THR 47.A O no hydrogen 3.088 N/A CYS 32.A SG GLY 14.A O no hydrogen 4.017 N/A CYS 32.A SG ASN 18.A OD1 no hydrogen 3.861 N/A ALA 33.A N GLY 8.A O no hydrogen 2.667 N/A ASN 34.A N LEU 49.A O no hydrogen 3.034 N/A THR 35.A OG1 THR 99.A OG1 no hydrogen 2.697 N/A ALA 37.A N GLY 58.A O no hydrogen 2.907 N/A ALA 39.A N ASP 36.A OD1 no hydrogen 3.269 N/A LEU 40.A N ALA 37.A O no hydrogen 3.241 N/A LYS 41.A N GLN 38.A O no hydrogen 3.202 N/A ALA 45.A N ASN 18.A OD1 no hydrogen 3.084 N/A LEU 49.A N CYS 32.A O no hydrogen 2.795 N/A LEU 51.A N ASN 34.A O no hydrogen 2.942 N/A GLY 52.A N ASP 75.A OD2 no hydrogen 2.659 N/A GLY 54.A N GLU 74.A OE2 no hydrogen 3.074 N/A VAL 55.A N GLU 74.A OE1 no hydrogen 3.029 N/A THR 56.A N GLY 52.A O no hydrogen 2.966 N/A THR 56.A OG1 GLY 52.A O no hydrogen 2.742 N/A LYS 57.A NZ GLY 54.A O no hydrogen 3.228 N/A LEU 59.A N THR 56.A O no hydrogen 3.076 N/A GLY 60.A N THR 35.A O no hydrogen 3.160 N/A GLU 66.A N ASN 64.A OD1 no hydrogen 2.869 N/A GLY 68.A N ASN 64.A O no hydrogen 3.370 N/A ARG 69.A N PRO 65.A O no hydrogen 2.964 N/A ARG 69.A NE GLU 66.A OE2 no hydrogen 3.260 N/A ARG 69.A NH2 GLU 66.A OE1 no hydrogen 3.057 N/A GLN 70.A N GLU 66.A O no hydrogen 2.860 N/A ALA 71.A N VAL 67.A O no hydrogen 2.887 N/A ALA 72.A N GLY 68.A O no hydrogen 3.079 N/A LEU 73.A N ARG 69.A O no hydrogen 2.931 N/A GLU 74.A N GLN 70.A O no hydrogen 3.082 N/A ASP 75.A N ALA 71.A O no hydrogen 3.305 N/A ASP 75.A N ALA 72.A O no hydrogen 3.028 N/A ARG 76.A NH1 GLU 113.A OE1 no hydrogen 3.372 N/A ARG 78.A NH1 GLN 50.A O no hydrogen 3.509 N/A ARG 78.A NH2 GLN 50.A O no hydrogen 3.166 N/A ARG 78.A NH2 ASP 75.A OD1 no hydrogen 2.718 N/A ILE 79.A N ASP 75.A O no hydrogen 2.802 N/A SER 80.A N ARG 76.A O no hydrogen 2.992 N/A SER 80.A OG ARG 76.A O no hydrogen 2.979 N/A GLU 81.A N GLU 77.A O no hydrogen 3.024 N/A VAL 82.A N ARG 78.A O no hydrogen 3.183 N/A LEU 83.A N ILE 79.A O no hydrogen 3.208 N/A LEU 83.A N SER 80.A O no hydrogen 3.113 N/A GLU 84.A N SER 80.A O no hydrogen 2.841 N/A GLU 84.A N GLU 81.A O no hydrogen 3.084 N/A ALA 86.A N LEU 83.A O no hydrogen 3.106 N/A ASP 87.A N VAL 3.A O no hydrogen 2.712 N/A MET 88.A N VAL 3.A O no hydrogen 3.124 N/A VAL 89.A N LEU 117.A O no hydrogen 2.994 N/A PHE 90.A N LYS 5.A O no hydrogen 2.779 N/A ILE 91.A N VAL 119.A O no hydrogen 2.879 N/A THR 92.A N ILE 7.A O no hydrogen 2.919 N/A THR 92.A OG1 VAL 121.A O no hydrogen 2.705 N/A THR 93.A OG1 VAL 9.A O no hydrogen 2.460 N/A MET 95.A N THR 123.A O no hydrogen 3.138 N/A THR 99.A OG1 THR 35.A OG1 no hydrogen 2.697 N/A THR 101.A OG1 GLY 97.A O no hydrogen 3.063 N/A GLY 102.A N GLY 98.A O no hydrogen 2.966 N/A ALA 103.A N THR 99.A O no hydrogen 2.737 N/A ALA 104.A N GLY 100.A O no hydrogen 3.133 N/A ILE 107.A N ALA 103.A O no hydrogen 2.826 N/A ALA 108.A N ALA 104.A O no hydrogen 2.801 N/A GLU 109.A N PRO 105.A O no hydrogen 2.885 N/A VAL 110.A N ILE 106.A O no hydrogen 3.108 N/A ALA 111.A N ILE 107.A O no hydrogen 3.036 N/A LYS 112.A N ALA 108.A O no hydrogen 2.885 N/A GLU 113.A N GLU 109.A O no hydrogen 2.788 N/A MET 114.A N VAL 110.A O no hydrogen 2.927 N/A GLY 115.A N LYS 112.A O no hydrogen 2.800 N/A ILE 116.A N ALA 111.A O no hydrogen 3.039 N/A THR 118.A N ASP 149.A OD1 no hydrogen 2.909 N/A THR 118.A OG1 ILE 116.A O no hydrogen 2.937 N/A VAL 119.A N VAL 89.A O no hydrogen 2.954 N/A ALA 120.A N SER 150.A O no hydrogen 2.833 N/A VAL 121.A N ILE 91.A O no hydrogen 2.761 N/A VAL 122.A N ILE 152.A O no hydrogen 2.980 N/A THR 123.A N THR 93.A O no hydrogen 3.226 N/A ARG 124.A N ILE 154.A O no hydrogen 3.036 N/A ARG 124.A NE ASP 138.A OD1 no hydrogen 3.013 N/A ARG 124.A NH2 ASP 138.A OD1 no hydrogen 2.804 N/A PHE 126.A N GLU 129.A OE2 no hydrogen 2.717 N/A GLU 129.A N PHE 126.A O no hydrogen 2.916 N/A GLY 130.A N PRO 127.A O no hydrogen 3.248 N/A MET 134.A N GLY 130.A O no hydrogen 3.315 N/A GLN 135.A N ARG 131.A O no hydrogen 2.869 N/A ILE 136.A N LYS 132.A O no hydrogen 3.006 N/A ALA 137.A N ARG 133.A O no hydrogen 2.785 N/A ASP 138.A N MET 134.A O no hydrogen 2.958 N/A GLU 139.A N GLN 135.A O no hydrogen 3.047 N/A GLY 140.A N ILE 136.A O no hydrogen 2.888 N/A ILE 141.A N ALA 137.A O no hydrogen 2.813 N/A ARG 142.A N ASP 138.A O no hydrogen 3.034 N/A ALA 143.A N GLU 139.A O no hydrogen 2.970 N/A LEU 144.A N GLY 140.A O no hydrogen 2.833 N/A ALA 145.A N ILE 141.A O no hydrogen 2.957 N/A GLU 146.A N ALA 143.A O no hydrogen 3.434 N/A SER 147.A N LEU 144.A O no hydrogen 2.992 N/A SER 147.A OG PRO 105.A O no hydrogen 3.497 N/A ASP 149.A N THR 118.A O no hydrogen 2.825 N/A SER 150.A N THR 118.A O no hydrogen 3.292 N/A SER 150.A OG MET 208.A O no hydrogen 2.695 N/A LEU 151.A N GLY 212.A O no hydrogen 2.789 N/A ILE 152.A N ALA 120.A O no hydrogen 2.686 N/A THR 153.A N ALA 214.A O no hydrogen 3.032 N/A ILE 154.A N VAL 122.A O no hydrogen 2.722 N/A ASN 156.A N ARG 124.A O no hydrogen 3.101 N/A LYS 158.A N PRO 155.A O no hydrogen 2.816 N/A LYS 158.A NZ GLU 241.A OE1 no hydrogen 2.999 N/A LYS 158.A NZ ASP 242.A OD2 no hydrogen 2.614 N/A LEU 159.A N ASN 156.A O no hydrogen 2.856 N/A LEU 160.A N GLU 157.A O no hydrogen 3.158 N/A ILE 162.A N LYS 158.A O no hydrogen 3.145 N/A LEU 163.A N LEU 159.A O no hydrogen 2.823 N/A GLY 164.A N LEU 160.A O no hydrogen 2.786 N/A LYS 165.A NZ ASP 166.A OD2 no hydrogen 3.471 N/A ASP 166.A N LEU 163.A O no hydrogen 3.199 N/A ALA 167.A N GLY 164.A O no hydrogen 3.055 N/A ALA 171.A N SER 168.A OG no hydrogen 2.958 N/A ALA 172.A N SER 168.A O no hydrogen 2.891 N/A PHE 173.A N LEU 169.A O no hydrogen 3.490 N/A ALA 174.A N LEU 170.A O no hydrogen 3.063 N/A LYS 175.A N ALA 171.A O no hydrogen 2.834 N/A ALA 176.A N ALA 172.A O no hydrogen 3.098 N/A ASP 177.A N PHE 173.A O no hydrogen 2.954 N/A ASP 178.A N ALA 174.A O no hydrogen 3.063 N/A VAL 179.A N LYS 175.A O no hydrogen 2.858 N/A LEU 180.A N ALA 176.A O no hydrogen 3.011 N/A ALA 181.A N ASP 177.A O no hydrogen 2.980 N/A GLY 182.A N ASP 178.A O no hydrogen 2.961 N/A ALA 183.A N VAL 179.A O no hydrogen 3.044 N/A VAL 184.A N LEU 180.A O no hydrogen 3.164 N/A ARG 185.A N ALA 181.A O no hydrogen 2.792 N/A ARG 185.A NE ASN 24.A O no hydrogen 2.761 N/A GLY 186.A N GLY 182.A O no hydrogen 2.785 N/A ILE 187.A N ALA 183.A O no hydrogen 3.259 N/A SER 188.A N VAL 184.A O no hydrogen 2.848 N/A SER 188.A OG VAL 184.A O no hydrogen 3.006 N/A ASP 189.A N ARG 185.A O no hydrogen 2.921 N/A ILE 191.A N ILE 187.A O no hydrogen 3.412 N/A LYS 192.A N SER 188.A O no hydrogen 2.708 N/A LYS 192.A NZ ALA 2.A O no hydrogen 2.638 N/A ARG 193.A N ASP 189.A O no hydrogen 2.738 N/A ARG 193.A NH2 ASP 189.A OD1 no hydrogen 3.518 N/A GLY 195.A N THR 287.A O no hydrogen 2.669 N/A ASN 198.A ND2 VAL 285.A O no hydrogen 3.407 N/A ASP 200.A N ASP 203.A OD2 no hydrogen 2.727 N/A ASP 203.A N ASP 200.A O no hydrogen 2.754 N/A ASP 203.A N ASP 200.A OD1 no hydrogen 2.601 N/A VAL 204.A N ASP 200.A O no hydrogen 3.205 N/A LYS 205.A N PHE 201.A O no hydrogen 2.875 N/A THR 206.A N ALA 202.A O no hydrogen 2.945 N/A THR 206.A OG1 ALA 202.A O no hydrogen 2.946 N/A VAL 207.A N ASP 203.A O no hydrogen 3.323 N/A VAL 207.A N VAL 204.A O no hydrogen 3.158 N/A MET 208.A N VAL 204.A O no hydrogen 2.995 N/A MET 208.A N LYS 205.A O no hydrogen 3.266 N/A SER 209.A N LYS 205.A O no hydrogen 2.655 N/A SER 209.A OG ASP 149.A OD2 no hydrogen 3.549 N/A GLU 210.A N ASP 149.A OD2 no hydrogen 3.035 N/A MET 211.A N ASP 149.A O no hydrogen 2.880 N/A GLY 212.A N ASP 149.A O no hydrogen 2.837 N/A ALA 214.A N LEU 151.A O no hydrogen 2.876 N/A MET 215.A N ALA 303.A O no hydrogen 3.047 N/A GLY 217.A N VAL 301.A O no hydrogen 2.933 N/A GLY 219.A N VAL 299.A O no hydrogen 2.983 N/A ALA 221.A N LEU 297.A O no hydrogen 3.040 N/A SER 222.A OG ASP 295.A O no hydrogen 3.240 N/A ARG 226.A N GLY 223.A O no hydrogen 3.171 N/A ARG 226.A NE GLU 265.A OE1 no hydrogen 3.370 N/A ARG 226.A NE GLU 265.A OE2 no hydrogen 2.540 N/A ARG 226.A NH1 ASP 260.A OD1 no hydrogen 3.287 N/A ARG 226.A NH2 ASP 260.A OD1 no hydrogen 2.876 N/A ARG 226.A NH2 GLU 265.A OE1 no hydrogen 2.836 N/A GLU 229.A N ASN 225.A O no hydrogen 2.997 N/A ALA 230.A N ARG 226.A O no hydrogen 2.844 N/A THR 231.A N ALA 227.A O no hydrogen 3.221 N/A THR 231.A OG1 ALA 227.A O no hydrogen 2.764 N/A GLU 232.A N ARG 228.A O no hydrogen 2.848 N/A ALA 233.A N GLU 229.A O no hydrogen 2.965 N/A ALA 234.A N ALA 230.A O no hydrogen 2.973 N/A ILE 235.A N THR 231.A O no hydrogen 3.002 N/A ARG 236.A N GLU 232.A O no hydrogen 2.909 N/A ASN 237.A N ALA 234.A O no hydrogen 3.196 N/A ASN 237.A ND2 THR 218.A O no hydrogen 3.154 N/A LEU 239.A N ASN 237.A OD1 no hydrogen 2.618 N/A LEU 240.A N ASN 237.A O no hydrogen 2.794 N/A GLU 241.A N PRO 238.A O no hydrogen 3.283 N/A GLY 247.A N ASN 244.A O no hydrogen 2.584 N/A ALA 248.A N LEU 245.A O no hydrogen 3.194 N/A ARG 249.A N GLY 305.A O no hydrogen 3.146 N/A GLY 250.A N THR 304.A O no hydrogen 3.026 N/A ILE 251.A N THR 282.A O no hydrogen 2.838 N/A LEU 252.A N VAL 302.A O no hydrogen 2.869 N/A VAL 253.A N LYS 284.A O no hydrogen 2.797 N/A ASN 254.A N THR 300.A O no hydrogen 2.680 N/A ASN 254.A ND2 GLY 186.A O no hydrogen 2.582 N/A ILE 255.A N GLY 286.A O no hydrogen 2.950 N/A THR 256.A N HIS 298.A O no hydrogen 2.887 N/A THR 256.A OG1 ASN 254.A OD1 no hydrogen 2.675 N/A ALA 257.A N VAL 288.A O no hydrogen 3.125 N/A LEU 261.A N GLY 258.A O no hydrogen 3.040 N/A SER 262.A N GLU 265.A OE1 no hydrogen 3.025 N/A GLU 265.A N SER 262.A OG no hydrogen 3.173 N/A TYR 266.A N SER 262.A O no hydrogen 3.195 N/A SER 267.A N LEU 263.A O no hydrogen 3.021 N/A SER 267.A OG GLY 264.A O no hydrogen 2.897 N/A ASP 268.A N GLY 264.A O no hydrogen 2.870 N/A VAL 269.A N GLU 265.A O no hydrogen 3.158 N/A GLY 270.A N TYR 266.A O no hydrogen 3.194 N/A ASN 271.A N SER 267.A O no hydrogen 2.887 N/A ILE 272.A N ASP 268.A O no hydrogen 3.067 N/A ILE 273.A N VAL 269.A O no hydrogen 3.010 N/A GLU 274.A N GLY 270.A O no hydrogen 2.987 N/A GLN 275.A N ASN 271.A O no hydrogen 3.164 N/A PHE 276.A N ILE 273.A O no hydrogen 2.936 N/A ALA 277.A N ILE 273.A O no hydrogen 2.837 N/A HIS 280.A N SER 278.A OG no hydrogen 2.907 N/A ALA 281.A N SER 278.A O no hydrogen 3.082 N/A THR 282.A N ARG 249.A O no hydrogen 2.786 N/A LYS 284.A N ILE 251.A O no hydrogen 2.900 N/A GLY 286.A N VAL 253.A O no hydrogen 2.819 N/A VAL 288.A N ILE 255.A O no hydrogen 2.746 N/A ASP 290.A N ALA 257.A O no hydrogen 2.750 N/A ASP 292.A N ASP 290.A OD2 no hydrogen 3.142 N/A MET 293.A N ASP 290.A O no hydrogen 2.772 N/A ASP 295.A N ASP 260.A OD2 no hydrogen 2.789 N/A GLU 296.A N ARG 294.A O no hydrogen 2.673 N/A LEU 297.A N ALA 221.A O no hydrogen 2.899 N/A HIS 298.A N THR 256.A O no hydrogen 2.784 N/A HIS 298.A NE2 GLU 296.A OE1 no hydrogen 2.592 N/A VAL 299.A N GLY 219.A O no hydrogen 2.799 N/A THR 300.A N ASN 254.A O no hydrogen 2.787 N/A VAL 301.A N GLY 217.A O no hydrogen 2.883 N/A VAL 302.A N LEU 252.A O no hydrogen 2.829 N/A ALA 303.A N MET 215.A O no hydrogen 2.803 N/A THR 304.A N GLY 250.A O no hydrogen 2.874 N/A THR 304.A OG1 VAL 207.A O no hydrogen 2.660 N/A LEU 306.A N MET 213.A O no hydrogen 3.281 N/A