Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2x3e_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 1.A NE ILE 123.A O no hydrogen 2.773 N/A ARG 1.A NH1 ASP 129.A OD1 no hydrogen 3.437 N/A ARG 1.A NH2 ILE 123.A O no hydrogen 3.002 N/A ARG 1.A NH2 ASP 129.A OD1 no hydrogen 2.719 N/A ALA 2.A N GLY 166.A O no hydrogen 2.948 N/A VAL 4.A N ARG 164.A O no hydrogen 2.811 N/A VAL 5.A N GLY 172.A O no hydrogen 2.874 N/A CYS 6.A N VAL 162.A O no hydrogen 2.879 N/A CYS 6.A SG VAL 162.A O no hydrogen 3.654 N/A LEU 8.A N SER 64.A OG no hydrogen 3.126 N/A GLY 9.A N ALA 160.A O no hydrogen 2.886 N/A TYR 11.A N ALA 158.A O no hydrogen 2.933 N/A LEU 17.A N ARG 42.A O no hydrogen 2.747 N/A ASN 19.A ND2 ASP 30.A O no hydrogen 3.695 N/A ASN 19.A ND2 ASP 30.A OD1 no hydrogen 2.932 N/A ASN 19.A ND2 VAL 39.A O no hydrogen 3.603 N/A MET 21.A N SER 18.A OG no hydrogen 3.049 N/A LEU 22.A N SER 18.A O no hydrogen 3.006 N/A ALA 23.A N ASN 19.A O no hydrogen 2.721 N/A ALA 24.A N ASP 20.A O no hydrogen 3.001 N/A GLU 25.A N MET 21.A O no hydrogen 2.970 N/A LEU 26.A N LEU 22.A O no hydrogen 3.042 N/A THR 28.A N ALA 23.A O no hydrogen 3.015 N/A SER 29.A N THR 28.A OG1 no hydrogen 2.663 N/A TRP 32.A N SER 29.A OG.A no hydrogen 3.388 N/A SER 34.A N ASP 30.A O no hydrogen 3.168 N/A SER 35.A N ALA 31.A O no hydrogen 2.798 N/A ARG 36.A N TRP 32.A O no hydrogen 3.088 N/A ARG 36.A NH1 ARG 36.A O no hydrogen 2.659 N/A THR 37.A N ILE 33.A O no hydrogen 3.213 N/A THR 37.A OG1 ILE 33.A O no hydrogen 2.607 N/A GLY 38.A N SER 34.A O no hydrogen 2.458 N/A VAL 39.A N THR 37.A OG1 no hydrogen 3.133 N/A ARG 40.A N ALA 273.A O no hydrogen 3.026 N/A GLN 41.A N ALA 273.A O no hydrogen 3.120 N/A GLN 41.A NE2 GLU 274.A O no hydrogen 2.973 N/A ARG 42.A N LEU 17.A O no hydrogen 3.326 N/A ARG 42.A NE ALA 152.A O no hydrogen 3.381 N/A ARG 42.A NH1 ASN 19.A OD1 no hydrogen 3.116 N/A ARG 42.A NH1 ALA 152.A O no hydrogen 2.664 N/A ARG 42.A NH2 LEU 17.A O no hydrogen 2.941 N/A ARG 42.A NH2 ASN 19.A OD1 no hydrogen 2.826 N/A HIS 43.A ND1 PRO 13.A O no hydrogen 2.686 N/A ILE 44.A N ALA 15.A O no hydrogen 2.829 N/A ALA 45.A N ASP 156.A OD2 no hydrogen 2.805 N/A LEU 48.A N ALA 45.A O no hydrogen 3.028 N/A GLY 49.A N ASP 52.A OD2 no hydrogen 2.962 N/A SER 50.A OG THR 79.A O no hydrogen 2.711 N/A SER 50.A OG THR 79.A OG1 no hydrogen 3.026 N/A SER 50.A OG THR 138.A OG1 no hydrogen 3.035 N/A GLY 51.A N ASP 81.A OD1 no hydrogen 2.995 N/A LEU 53.A N GLY 49.A O no hydrogen 3.236 N/A ALA 54.A N SER 50.A O no hydrogen 2.824 N/A LEU 55.A N GLY 51.A O no hydrogen 2.940 N/A ARG 56.A N ASP 52.A O no hydrogen 3.400 N/A ALA 57.A N LEU 53.A O no hydrogen 3.077 N/A ALA 58.A N ALA 54.A O no hydrogen 2.877 N/A SER 59.A N LEU 55.A O no hydrogen 3.017 N/A SER 59.A OG.A LEU 55.A O no hydrogen 3.023 N/A ALA 60.A N ARG 56.A O no hydrogen 3.196 N/A ALA 61.A N ALA 57.A O no hydrogen 2.910 N/A LEU 62.A N ALA 58.A O no hydrogen 2.941 N/A ALA 63.A N SER 59.A O no hydrogen 3.161 N/A SER 64.A N ALA 60.A O no hydrogen 2.962 N/A SER 64.A OG VAL 324.A O no hydrogen 3.140 N/A ALA 65.A N ALA 61.A O no hydrogen 3.006 N/A GLY 66.A N ALA 63.A O no hydrogen 3.144 N/A LEU 67.A N LEU 62.A O no hydrogen 3.139 N/A ASP 71.A N SER 130.A O no hydrogen 3.072 N/A ASP 71.A N SER 130.A OG no hydrogen 3.302 N/A VAL 73.A N LEU 101.A O no hydrogen 2.788 N/A VAL 74.A N LEU 132.A O no hydrogen 2.937 N/A LEU 75.A N PHE 103.A O no hydrogen 3.117 N/A ALA 76.A N VAL 134.A O no hydrogen 2.834 N/A THR 77.A N LEU 105.A O no hydrogen 3.054 N/A THR 77.A OG1 VAL 136.A O no hydrogen 2.836 N/A THR 77.A OG1 ASP 137.A OD1 no hydrogen 3.205 N/A SER 78.A N ASP 137.A OD1 no hydrogen 2.896 N/A THR 79.A N THR 77.A OG1 no hydrogen 3.023 N/A THR 79.A OG1 SER 50.A OG no hydrogen 3.026 N/A THR 79.A OG1 THR 77.A OG1 no hydrogen 3.288 N/A THR 79.A OG1 ASP 137.A OD1 no hydrogen 2.704 N/A ASP 81.A N THR 87.A OG1 no hydrogen 2.844 N/A THR 87.A N ASP 104.A OD2 no hydrogen 2.751 N/A ALA 88.A N ASP 104.A OD1 no hydrogen 2.831 N/A VAL 91.A N THR 87.A O no hydrogen 3.115 N/A ALA 92.A N ALA 88.A O no hydrogen 2.814 N/A ALA 93.A N PRO 89.A O no hydrogen 2.933 N/A ARG 94.A N ARG 90.A O no hydrogen 2.937 N/A LEU 95.A N VAL 91.A O no hydrogen 2.972 N/A LEU 95.A N ALA 92.A O no hydrogen 3.078 N/A GLY 96.A N ALA 93.A O no hydrogen 2.985 N/A LEU 97.A N ALA 92.A O no hydrogen 2.826 N/A ALA 100.A N LEU 97.A O no hydrogen 3.114 N/A LEU 101.A N ASP 71.A O no hydrogen 3.092 N/A PHE 103.A N VAL 73.A O no hydrogen 3.357 N/A LEU 105.A N LEU 75.A O no hydrogen 2.706 N/A THR 110.A N ALA 107.A O no hydrogen 2.914 N/A THR 110.A OG1 THR 312.A OG1 no hydrogen 2.738 N/A GLY 111.A N ALA 108.A O no hydrogen 3.040 N/A TYR 114.A N THR 110.A O no hydrogen 3.049 N/A TYR 114.A OH GLY 180.A O no hydrogen 2.704 N/A GLY 115.A N GLY 111.A O no hydrogen 2.732 N/A LEU 116.A N PHE 112.A O no hydrogen 2.902 N/A ALA 117.A N VAL 113.A O no hydrogen 3.106 N/A SER 118.A N TYR 114.A O no hydrogen 2.897 N/A VAL 119.A N GLY 115.A O no hydrogen 2.873 N/A GLY 120.A N LEU 116.A O no hydrogen 2.769 N/A SER 121.A N ALA 117.A O no hydrogen 2.931 N/A SER 121.A OG ALA 117.A O no hydrogen 2.769 N/A LEU 122.A N SER 118.A O no hydrogen 3.017 N/A ILE 123.A N VAL 119.A O no hydrogen 3.037 N/A SER 124.A N GLY 120.A O no hydrogen 2.906 N/A SER 124.A OG ARG 1.A O no hydrogen 3.076 N/A SER 124.A OG GLY 120.A O no hydrogen 3.163 N/A ALA 125.A N SER 121.A O no hydrogen 2.820 N/A GLY 126.A N ILE 123.A O no hydrogen 3.038 N/A LEU 127.A N LEU 122.A O no hydrogen 2.909 N/A ASP 129.A N ASP 71.A OD2 no hydrogen 2.864 N/A ALA 131.A N LEU 163.A O no hydrogen 2.884 N/A LEU 132.A N ALA 72.A O no hydrogen 2.854 N/A LEU 133.A N VAL 161.A O no hydrogen 2.949 N/A VAL 134.A N VAL 74.A O no hydrogen 2.899 N/A GLY 135.A N GLY 159.A O no hydrogen 2.782 N/A VAL 136.A N ALA 76.A O no hydrogen 3.114 N/A ASP 137.A N GLY 157.A O no hydrogen 3.206 N/A THR 138.A N THR 79.A OG1 no hydrogen 2.919 N/A THR 138.A OG1 SER 50.A OG no hydrogen 3.035 N/A THR 138.A OG1 HIS 141.A ND1 no hydrogen 3.400 N/A SER 140.A N ASP 156.A OD1 no hydrogen 2.969 N/A SER 140.A OG ASP 156.A OD1 no hydrogen 3.401 N/A SER 140.A OG ASP 156.A OD2 no hydrogen 2.505 N/A HIS 141.A N THR 138.A O no hydrogen 3.085 N/A HIS 141.A NE2 GLY 46.A O no hydrogen 2.930 N/A THR 142.A N PHE 139.A O no hydrogen 2.750 N/A THR 142.A OG1 PHE 139.A O no hydrogen 2.659 N/A LEU 143.A N SER 140.A O no hydrogen 3.466 N/A ALA 146.A N ASP 144.A OD1 no hydrogen 2.966 N/A ASP 147.A N ASP 144.A O no hydrogen 3.048 N/A THR 150.A N ASP 147.A OD1 no hydrogen 2.911 N/A THR 150.A OG1 ASP 147.A OD1 no hydrogen 2.678 N/A ARG 151.A N ASP 147.A O no hydrogen 3.259 N/A ARG 151.A NH1 GLU 25.A OE2 no hydrogen 2.789 N/A ARG 151.A NH1 PRO 145.A O no hydrogen 2.930 N/A ARG 151.A NH2 GLU 25.A OE1 no hydrogen 3.177 N/A ARG 151.A NH2 GLU 25.A OE2 no hydrogen 3.409 N/A ALA 152.A N ARG 148.A O no hydrogen 2.954 N/A LEU 153.A N THR 150.A O no hydrogen 3.115 N/A PHE 154.A N THR 150.A O no hydrogen 2.959 N/A GLY 155.A N ASN 277.A O no hydrogen 2.876 N/A ASP 156.A N HIS 43.A O no hydrogen 2.889 N/A GLY 157.A N ASP 137.A O no hydrogen 3.181 N/A ALA 158.A N TYR 11.A O no hydrogen 3.056 N/A GLY 159.A N GLY 135.A O no hydrogen 2.850 N/A ALA 160.A N GLY 9.A O no hydrogen 2.775 N/A VAL 161.A N LEU 133.A O no hydrogen 2.941 N/A VAL 162.A N GLY 7.A O no hydrogen 3.000 N/A LEU 163.A N ALA 131.A O no hydrogen 2.816 N/A ARG 164.A N VAL 4.A O no hydrogen 2.887 N/A ARG 164.A NH1 ALA 165.A O no hydrogen 3.105 N/A ARG 164.A NH1 GLU 170.A OE1 no hydrogen 3.152 N/A ARG 164.A NH1 GLU 170.A OE2 no hydrogen 3.392 N/A ARG 164.A NH2 GLU 170.A OE2 no hydrogen 2.637 N/A ALA 165.A N ASP 129.A O no hydrogen 2.953 N/A GLY 166.A N ALA 2.A O no hydrogen 2.981 N/A ASP 167.A N GLU 170.A OE1 no hydrogen 2.802 N/A ALA 168.A N ASP 167.A OD1.A no hydrogen 2.752 N/A GLU 170.A N ASP 167.A O no hydrogen 3.114 N/A ALA 173.A N GLU 170.A O no hydrogen 3.176 N/A LEU 174.A N ALA 3.A O no hydrogen 2.990 N/A LEU 175.A N ALA 317.A O no hydrogen 2.791 N/A ASP 178.A N SER 315.A O no hydrogen 2.825 N/A GLY 180.A N TRP 313.A O no hydrogen 3.022 N/A ASP 182.A N LEU 311.A O no hydrogen 2.863 N/A HIS 184.A N ASP 182.A OD1 no hydrogen 3.012 N/A GLN 185.A N ASP 182.A O no hydrogen 3.301 N/A GLN 185.A NE2 ASP 182.A OD2 no hydrogen 2.794 N/A GLN 185.A NE2 GLN 218.A OE1 no hydrogen 2.718 N/A PHE 186.A N GLY 183.A O no hydrogen 3.298 N/A LEU 188.A N GLN 185.A O no hydrogen 3.225 N/A MET 190.A N ARG 209.A O no hydrogen 2.931 N/A SER 195.A N GLU 198.A OE1 no hydrogen 2.980 N/A ARG 199.A N SER 195.A O no hydrogen 2.941 N/A SER 200.A N ARG 196.A O no hydrogen 3.002 N/A SER 201.A N ALA 197.A O no hydrogen 3.007 N/A GLY 202.A N GLU 198.A O no hydrogen 2.990 N/A GLN 203.A N GLU 198.A O no hydrogen 3.278 N/A GLN 203.A NE2 SER 205.A OG no hydrogen 3.371 N/A SER 205.A N GLU 198.A OE2 no hydrogen 2.704 N/A ASN 206.A ND2 PRO 192.A O no hydrogen 2.859 N/A PHE 208.A N THR 142.A O no hydrogen 2.855 N/A ARG 209.A N MET 190.A O no hydrogen 2.773 N/A ARG 209.A NH1 ASP 187.A O no hydrogen 2.825 N/A ARG 209.A NH1 ASP 187.A OD1.B no hydrogen 3.414 N/A ARG 209.A NH2 ASP 187.A OD1.B no hydrogen 2.830 N/A ASP 211.A N LEU 188.A O no hydrogen 3.074 N/A ALA 214.A N ASP 211.A OD1 no hydrogen 3.189 N/A VAL 215.A N ASP 211.A O no hydrogen 2.874 N/A VAL 215.A N GLY 212.A O no hydrogen 3.243 N/A PHE 216.A N GLY 212.A O no hydrogen 2.949 N/A GLN 218.A NE2 GLN 185.A OE1 no hydrogen 2.979 N/A ALA 219.A N VAL 215.A O no hydrogen 2.850 N/A VAL 220.A N PHE 216.A O no hydrogen 3.201 N/A THR 221.A N GLY 217.A O no hydrogen 3.391 N/A THR 221.A OG1 GLY 217.A O no hydrogen 3.373 N/A GLN 222.A N GLN 218.A O no hydrogen 2.766 N/A GLN 222.A NE2 GLN 218.A OE1 no hydrogen 3.079 N/A MET 223.A N ALA 219.A O no hydrogen 3.110 N/A SER 224.A N VAL 220.A O no hydrogen 3.019 N/A SER 224.A OG.A VAL 220.A O no hydrogen 2.627 N/A SER 224.A OG.A VAL 257.A O no hydrogen 3.521 N/A SER 224.A OG.B VAL 220.A O no hydrogen 3.056 N/A SER 224.A OG.B THR 221.A O no hydrogen 3.116 N/A ASP 225.A N THR 221.A O no hydrogen 2.805 N/A SER 226.A N GLN 222.A O no hydrogen 3.099 N/A SER 226.A OG ASP 178.A OD2 no hydrogen 2.641 N/A SER 226.A OG SER 315.A OG no hydrogen 2.673 N/A VAL 227.A N MET 223.A O no hydrogen 2.904 N/A ARG 228.A N SER 224.A O no hydrogen 2.998 N/A ARG 229.A N ASP 225.A O no hydrogen 2.996 N/A ARG 229.A NE ASP 178.A OD1 no hydrogen 2.992 N/A ARG 229.A NH2 ASP 178.A OD2 no hydrogen 2.865 N/A VAL 230.A N SER 226.A O no hydrogen 3.156 N/A LEU 231.A N VAL 227.A O no hydrogen 2.847 N/A ASP 232.A N ARG 228.A O no hydrogen 2.949 N/A ARG 233.A N ARG 229.A O no hydrogen 2.978 N/A ARG 233.A NH1 PHE 177.A O no hydrogen 3.284 N/A ARG 233.A NH1 ASP 178.A OD1 no hydrogen 2.888 N/A VAL 234.A N VAL 230.A O no hydrogen 2.975 N/A GLY 235.A N LEU 231.A O no hydrogen 2.824 N/A TRP 236.A N LEU 231.A O no hydrogen 2.926 N/A GLN 237.A N ASP 240.A OD2 no hydrogen 2.878 N/A ASP 240.A N GLN 237.A O no hydrogen 2.956 N/A LEU 241.A N ALA 238.A O no hydrogen 3.091 N/A HIS 242.A N ASN 301.A O no hydrogen 2.867 N/A HIS 243.A N ASN 301.A O no hydrogen 3.017 N/A LEU 244.A N ARG 267.A O no hydrogen 3.079 N/A VAL 245.A N VAL 303.A O no hydrogen 2.889 N/A HIS 247.A N THR 305.A O no hydrogen 2.744 N/A HIS 247.A ND1 SER 282.A OG no hydrogen 2.815 N/A GLN 248.A N SER 282.A OG no hydrogen 3.391 N/A GLN 248.A NE2 PRO 246.A O no hydrogen 2.917 N/A GLN 248.A NE2 VAL 269.A O no hydrogen 3.060 N/A ALA 249.A N HIS 247.A O no hydrogen 2.847 N/A ASN 250.A ND2.A ARG 36.A O no hydrogen 3.603 N/A THR 251.A N THR 37.A O no hydrogen 3.284 N/A THR 251.A N ASN 250.A OD1.A no hydrogen 2.886 N/A THR 251.A OG1 THR 37.A O no hydrogen 2.507 N/A ILE 253.A N ASN 250.A OD1.B no hydrogen 2.711 N/A ALA 256.A N ARG 252.A O no hydrogen 3.062 N/A VAL 257.A N ILE 253.A O no hydrogen 2.900 N/A ALA 258.A N LEU 254.A O no hydrogen 3.359 N/A ASP 259.A N ALA 255.A O no hydrogen 2.933 N/A GLN 260.A N ALA 256.A O no hydrogen 3.146 N/A LEU 261.A N VAL 257.A O no hydrogen 3.265 N/A ASP 262.A N ASP 259.A O no hydrogen 3.053 N/A LEU 263.A N ALA 258.A O no hydrogen 2.928 N/A ARG 267.A N PRO 264.A O no hydrogen 3.010 N/A ARG 267.A NH1 SER 239.A O no hydrogen 2.977 N/A ARG 267.A NH1 LEU 241.A O no hydrogen 2.727 N/A VAL 268.A N VAL 265.A O no hydrogen 2.889 N/A VAL 269.A N LEU 244.A O no hydrogen 2.863 N/A SER 270.A OG GLN 248.A OE1 no hydrogen 3.115 N/A ASN 271.A N GLN 248.A OE1 no hydrogen 3.142 N/A GLU 274.A N ASN 271.A O no hydrogen 2.906 N/A VAL 275.A N ASN 271.A O no hydrogen 3.171 N/A GLY 276.A N ILE 272.A O no hydrogen 2.850 N/A ASN 277.A N LEU 153.A O no hydrogen 2.815 N/A ASN 277.A ND2 HIS 247.A NE2 no hydrogen 3.661 N/A ASN 277.A ND2 ALA 249.A O no hydrogen 3.125 N/A VAL 279.A N ASN 277.A OD1 no hydrogen 2.947 N/A ALA 280.A N ASP 137.A OD2 no hydrogen 3.051 N/A ALA 281.A N THR 278.A O no hydrogen 3.175 N/A SER 282.A N VAL 279.A O no hydrogen 2.965 N/A SER 282.A OG HIS 247.A ND1 no hydrogen 2.815 N/A SER 282.A OG VAL 279.A O no hydrogen 3.060 N/A LEU 285.A N ALA 281.A O no hydrogen 2.912 N/A ALA 286.A N SER 282.A O no hydrogen 2.923 N/A LEU 287.A N ILE 283.A O no hydrogen 2.884 N/A ALA 288.A N PRO 284.A O no hydrogen 2.940 N/A HIS 289.A N LEU 285.A O no hydrogen 3.011 N/A GLY 290.A N ALA 286.A O no hydrogen 2.930 N/A LEU 291.A N LEU 287.A O no hydrogen 2.910 N/A ARG 292.A N ALA 288.A O no hydrogen 2.917 N/A GLN 293.A N HIS 289.A O no hydrogen 2.974 N/A GLY 294.A N LEU 291.A O no hydrogen 3.112 N/A ILE 295.A N GLY 290.A O no hydrogen 2.827 N/A ARG 297.A N HIS 243.A NE2 no hydrogen 3.038 N/A GLY 299.A N TRP 320.A O no hydrogen 2.552 N/A GLY 300.A N ARG 297.A O no hydrogen 3.003 N/A ASN 301.A N HIS 242.A ND1 no hydrogen 3.104 N/A ASN 301.A ND2 ASP 240.A O no hydrogen 2.870 N/A MET 302.A N LEU 318.A O no hydrogen 2.872 N/A VAL 303.A N HIS 243.A O no hydrogen 3.011 N/A LEU 304.A N VAL 316.A O no hydrogen 2.948 N/A THR 305.A N VAL 245.A O no hydrogen 3.152 N/A THR 305.A OG1 GLY 314.A O no hydrogen 3.360 N/A THR 305.A OG1 SER 315.A OG no hydrogen 2.740 N/A GLY 306.A N GLY 314.A O no hydrogen 2.862 N/A GLY 308.A N THR 312.A O no hydrogen 2.875 N/A LEU 311.A N ASP 182.A O no hydrogen 2.933 N/A THR 312.A N GLY 308.A O no hydrogen 2.876 N/A THR 312.A OG1 ALA 107.A O no hydrogen 3.324 N/A THR 312.A OG1 THR 110.A OG1 no hydrogen 2.738 N/A THR 312.A OG1 ALA 309.A O no hydrogen 2.909 N/A TRP 313.A N GLY 180.A O no hydrogen 3.207 N/A GLY 314.A N GLY 306.A O no hydrogen 3.019 N/A SER 315.A N ASP 178.A O no hydrogen 2.788 N/A SER 315.A OG SER 226.A OG no hydrogen 2.673 N/A SER 315.A OG THR 305.A OG1 no hydrogen 2.740 N/A VAL 316.A N LEU 304.A O no hydrogen 2.907 N/A ALA 317.A N ALA 176.A O no hydrogen 3.065 N/A LEU 318.A N MET 302.A O no hydrogen 2.946 N/A TRP 320.A N GLY 300.A O no hydrogen 2.901 N/A LYS 322.A NZ GLU 171.A OE1 no hydrogen 2.990 N/A LYS 322.A NZ GLU 171.A OE2 no hydrogen 3.518 N/A