Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1wx1_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ASP 2.A N ALA 35.A O no hydrogen 2.907 N/A GLU 4.A N ASP 2.A OD2 no hydrogen 3.018 N/A VAL 5.A N ASP 2.A OD2 no hydrogen 3.502 N/A PHE 6.A N ASP 2.A O no hydrogen 2.919 N/A ALA 7.A N PRO 3.A O no hydrogen 2.945 N/A GLN 8.A N GLU 4.A O no hydrogen 2.971 N/A ALA 9.A N VAL 5.A O no hydrogen 2.715 N/A ARG 10.A N PHE 6.A O no hydrogen 2.999 N/A LEU 11.A N ALA 7.A O no hydrogen 3.117 N/A ARG 12.A N GLN 8.A O no hydrogen 3.064 N/A ARG 12.A NE LEU 317.A O no hydrogen 2.849 N/A ARG 12.A NH1 GLU 324.A OE1 no hydrogen 2.992 N/A ARG 12.A NH2 MET 319.A O no hydrogen 2.827 N/A ARG 12.A NH2 GLU 324.A OE1 no hydrogen 3.473 N/A ARG 12.A NH2 GLU 324.A OE2 no hydrogen 3.037 N/A MET 13.A N ALA 9.A O no hydrogen 2.925 N/A ASP 14.A N ARG 10.A O no hydrogen 3.309 N/A GLN 15.A N ARG 12.A O no hydrogen 2.861 N/A GLN 15.A NE2 ASP 14.A OD1 no hydrogen 3.280 N/A LEU 16.A N MET 13.A O no hydrogen 3.189 N/A THR 17.A N ALA 320.A O no hydrogen 2.968 N/A THR 17.A OG1 ALA 320.A O no hydrogen 3.133 N/A LYS 18.A N LEU 16.A O no hydrogen 2.769 N/A LYS 18.A NZ MET 13.A O no hydrogen 3.504 N/A LYS 18.A NZ GLU 27.A OE1 no hydrogen 2.865 N/A ALA 22.A N PRO 19.A O no hydrogen 2.955 N/A LEU 23.A N GLU 27.A OE1 no hydrogen 2.852 N/A GLY 24.A N ARG 21.A O no hydrogen 3.147 N/A TYR 25.A OH ARG 288.A O no hydrogen 3.152 N/A LEU 26.A N LEU 23.A O no hydrogen 3.179 N/A GLU 27.A N GLY 24.A O no hydrogen 3.096 N/A VAL 29.A N TYR 25.A O no hydrogen 3.386 N/A ALA 30.A N LEU 26.A O no hydrogen 2.943 N/A LEU 31.A N GLU 27.A O no hydrogen 3.049 N/A ARG 32.A N GLU 28.A O no hydrogen 3.004 N/A ARG 32.A NH1 LEU 267.A O no hydrogen 2.839 N/A ARG 32.A NH2 ASP 265.A O no hydrogen 2.872 N/A ARG 32.A NH2 LEU 267.A O no hydrogen 2.646 N/A LEU 33.A N VAL 29.A O no hydrogen 2.929 N/A ALA 34.A N ALA 30.A O no hydrogen 2.915 N/A ALA 35.A N LEU 31.A O no hydrogen 3.036 N/A LEU 36.A N ARG 32.A O no hydrogen 2.877 N/A GLN 37.A N LEU 33.A O no hydrogen 2.968 N/A GLN 37.A NE2 GLU 43.A O no hydrogen 2.857 N/A GLY 38.A N ALA 34.A O no hydrogen 2.739 N/A ARG 39.A N ALA 34.A O no hydrogen 3.076 N/A ARG 39.A NH1 GLN 37.A OE1 no hydrogen 3.313 N/A GLU 43.A N GLN 37.A OE1 no hydrogen 3.029 N/A GLY 45.A N THR 156.A OG1 no hydrogen 2.919 N/A ARG 46.A NH1 ASP 93.A OD1 no hydrogen 2.837 N/A GLY 47.A N ASP 93.A O no hydrogen 3.045 N/A ALA 48.A N LEU 157.A O no hydrogen 3.096 N/A VAL 49.A N ALA 95.A O no hydrogen 2.918 N/A VAL 50.A N ALA 159.A O no hydrogen 3.056 N/A VAL 51.A N TYR 97.A O no hydrogen 2.796 N/A ALA 52.A N GLY 161.A O no hydrogen 2.848 N/A ALA 53.A N LEU 99.A O no hydrogen 2.811 N/A ALA 54.A N MET 163.A O no hydrogen 3.193 N/A ASP 55.A N GLY 102.A O no hydrogen 2.867 N/A HIS 56.A NE2 GLU 224.A OE2 no hydrogen 2.611 N/A GLY 57.A N THR 122.A OG1 no hydrogen 3.267 N/A VAL 59.A N HIS 56.A O no hydrogen 3.307 N/A ALA 60.A N GLY 57.A O no hydrogen 3.120 N/A GLU 61.A N VAL 58.A O no hydrogen 2.869 N/A GLY 62.A N VAL 59.A O no hydrogen 3.087 N/A SER 64.A OG TYR 66.A O no hydrogen 3.483 N/A TYR 66.A N SER 64.A OG no hydrogen 3.185 N/A VAL 70.A N PRO 67.A O no hydrogen 3.043 N/A THR 71.A N GLN 68.A O no hydrogen 3.141 N/A THR 71.A OG1 ASP 55.A OD2 no hydrogen 2.708 N/A THR 71.A OG1 GLN 68.A O no hydrogen 3.472 N/A ARG 72.A NE GLU 106.A O no hydrogen 2.796 N/A ARG 72.A NH2 GLU 106.A O no hydrogen 3.011 N/A GLN 73.A N GLU 69.A O no hydrogen 3.144 N/A MET 74.A N VAL 70.A O no hydrogen 2.746 N/A VAL 75.A N THR 71.A O no hydrogen 3.001 N/A LEU 76.A N ARG 72.A O no hydrogen 3.080 N/A ASN 77.A N GLN 73.A O no hydrogen 2.946 N/A PHE 78.A N MET 74.A O no hydrogen 2.798 N/A LEU 79.A N VAL 75.A O no hydrogen 2.998 N/A ARG 80.A N LEU 76.A O no hydrogen 2.975 N/A ARG 80.A N ASN 77.A O no hydrogen 3.078 N/A GLY 81.A N PHE 78.A O no hydrogen 3.119 N/A GLY 82.A N ASN 77.A O no hydrogen 3.021 N/A ALA 83.A N ASN 86.A OD1 no hydrogen 3.126 N/A ILE 85.A N GLU 299.A OE1 no hydrogen 3.139 N/A ASN 86.A ND2 PHE 78.A O no hydrogen 2.990 N/A GLN 87.A N ALA 83.A O no hydrogen 3.286 N/A PHE 88.A N ALA 84.A O no hydrogen 2.934 N/A ALA 89.A N ILE 85.A O no hydrogen 2.908 N/A LEU 90.A N ASN 86.A O no hydrogen 3.142 N/A ALA 91.A N GLN 87.A O no hydrogen 3.350 N/A ALA 92.A N ALA 89.A O no hydrogen 3.197 N/A CYS 94.A N ALA 89.A O no hydrogen 3.145 N/A CYS 94.A SG ALA 95.A O no hydrogen 3.526 N/A ALA 95.A N GLY 47.A O no hydrogen 2.820 N/A TYR 97.A N VAL 49.A O no hydrogen 2.967 N/A TYR 97.A OH GLU 153.A OE1 no hydrogen 2.564 N/A VAL 98.A N GLY 112.A O no hydrogen 2.795 N/A LEU 99.A N VAL 51.A O no hydrogen 2.850 N/A ASP 100.A N LEU 114.A O no hydrogen 2.961 N/A VAL 101.A N ALA 53.A O no hydrogen 3.087 N/A GLY 102.A N ASP 100.A OD2 no hydrogen 2.940 N/A VAL 103.A N ASP 100.A OD2 no hydrogen 2.804 N/A VAL 104.A N ASP 55.A OD1 no hydrogen 2.815 N/A GLY 112.A N HIS 110.A ND1 no hydrogen 2.751 N/A LEU 113.A N HIS 110.A O no hydrogen 2.986 N/A LEU 114.A N VAL 98.A O no hydrogen 2.780 N/A LYS 115.A NZ LEU 107.A O no hydrogen 2.821 N/A LYS 115.A NZ ASP 109.A OD2 no hydrogen 2.748 N/A ARG 116.A N ASP 100.A O no hydrogen 2.887 N/A ARG 116.A NE GLU 145.A OE1 no hydrogen 2.842 N/A ARG 116.A NH1 LYS 115.A O no hydrogen 2.684 N/A ARG 116.A NH2 GLU 145.A OE2 no hydrogen 2.514 N/A LYS 117.A NZ ASP 100.A OD1 no hydrogen 2.676 N/A LYS 117.A NZ VAL 103.A O no hydrogen 2.591 N/A LYS 117.A NZ GLY 105.A O no hydrogen 2.891 N/A VAL 118.A N VAL 101.A O no hydrogen 2.840 N/A ARG 119.A NE GLY 121.A O no hydrogen 2.881 N/A ARG 119.A NH1 GLU 135.A OE1 no hydrogen 2.880 N/A ARG 119.A NH1 GLU 135.A OE2 no hydrogen 3.482 N/A GLY 121.A N ARG 119.A O no hydrogen 2.805 N/A THR 122.A N ASP 55.A O no hydrogen 3.097 N/A THR 122.A OG1 ALA 123.A O no hydrogen 3.343 N/A ALA 123.A N ALA 130.A O no hydrogen 2.848 N/A ASN 124.A ND2 GLU 61.A OE2 no hydrogen 2.757 N/A ALA 126.A N ASN 124.A OD1 no hydrogen 2.969 N/A GLN 127.A N ASN 124.A O no hydrogen 3.004 N/A GLN 127.A NE2 GLU 61.A OE2 no hydrogen 3.135 N/A GLY 128.A N ASN 124.A O no hydrogen 3.160 N/A ALA 130.A N GLU 219.A O no hydrogen 3.097 N/A MET 131.A N ALA 218.A O no hydrogen 2.979 N/A THR 132.A N GLU 135.A OE1 no hydrogen 2.902 N/A GLU 135.A N THR 132.A OG1 no hydrogen 3.151 N/A ALA 136.A N THR 132.A O no hydrogen 3.003 N/A GLU 137.A N PRO 133.A O no hydrogen 2.970 N/A ARG 138.A N GLU 134.A O no hydrogen 3.160 N/A ARG 138.A NE GLU 134.A OE1 no hydrogen 3.306 N/A ARG 138.A NE GLU 134.A OE2 no hydrogen 2.708 N/A ARG 138.A NH2 GLU 134.A OE1 no hydrogen 2.882 N/A ALA 139.A N GLU 135.A O no hydrogen 2.988 N/A LEU 140.A N ALA 136.A O no hydrogen 2.882 N/A LEU 141.A N GLU 137.A O no hydrogen 2.978 N/A ALA 142.A N ARG 138.A O no hydrogen 2.962 N/A GLY 143.A N ALA 139.A O no hydrogen 3.062 N/A ARG 144.A N LEU 140.A O no hydrogen 3.100 N/A ARG 144.A NH1 GLU 234.A OE1 no hydrogen 2.979 N/A ARG 144.A NH1 GLU 237.A OE1 no hydrogen 2.979 N/A ARG 144.A NH2 GLU 237.A OE2 no hydrogen 3.006 N/A GLU 145.A N LEU 141.A O no hydrogen 2.947 N/A ALA 146.A N ALA 142.A O no hydrogen 3.058 N/A ALA 147.A N GLY 143.A O no hydrogen 3.059 N/A ARG 148.A N ARG 144.A O no hydrogen 2.870 N/A ARG 148.A NE GLU 234.A OE2 no hydrogen 2.760 N/A ARG 148.A NH2 GLU 234.A OE2 no hydrogen 2.735 N/A ARG 149.A N GLU 145.A O no hydrogen 3.122 N/A ARG 149.A NE GLU 153.A OE2 no hydrogen 3.267 N/A ARG 149.A NH1 PRO 111.A O no hydrogen 2.805 N/A ARG 149.A NH2 PRO 111.A O no hydrogen 2.658 N/A ALA 150.A N ALA 146.A O no hydrogen 3.135 N/A ILE 151.A N ALA 147.A O no hydrogen 2.884 N/A ALA 152.A N ARG 148.A O no hydrogen 2.720 N/A GLU 153.A N ARG 149.A O no hydrogen 2.916 N/A GLY 154.A N ILE 151.A O no hydrogen 2.965 N/A ALA 155.A N ALA 150.A O no hydrogen 3.140 N/A THR 156.A N ARG 46.A O no hydrogen 2.768 N/A THR 156.A OG1 ARG 46.A O no hydrogen 2.770 N/A LEU 158.A N PRO 241.A O no hydrogen 3.064 N/A ALA 159.A N ALA 48.A O no hydrogen 2.911 N/A GLY 161.A N VAL 50.A O no hydrogen 2.790 N/A MET 163.A N ALA 52.A O no hydrogen 3.036 N/A ILE 165.A N THR 71.A OG1 no hydrogen 2.976 N/A ASN 167.A N GLY 164.A O no hydrogen 2.936 N/A ASN 167.A ND2 ASP 162.A OD2 no hydrogen 2.795 N/A ASN 167.A ND2 GLU 224.A OE2 no hydrogen 3.252 N/A THR 169.A N GLY 166.A O no hydrogen 3.247 N/A ALA 171.A N ASN 167.A O no hydrogen 2.778 N/A ALA 172.A N THR 168.A O no hydrogen 2.983 N/A ALA 173.A N THR 169.A O no hydrogen 2.967 N/A LEU 174.A N ALA 170.A O no hydrogen 2.960 N/A THR 175.A N ALA 171.A O no hydrogen 2.872 N/A THR 175.A OG1 ALA 171.A O no hydrogen 2.727 N/A ALA 176.A N ALA 172.A O no hydrogen 2.871 N/A ALA 177.A N ALA 173.A O no hydrogen 2.894 N/A LEU 178.A N LEU 174.A O no hydrogen 2.944 N/A LEU 179.A N THR 175.A O no hydrogen 2.880 N/A LEU 181.A N ALA 176.A O no hydrogen 2.954 N/A ALA 185.A N PRO 182.A O no hydrogen 3.191 N/A VAL 187.A N PRO 183.A O no hydrogen 2.988 N/A LEU 193.A N GLY 189.A O no hydrogen 3.183 N/A ARG 194.A N GLU 190.A O no hydrogen 2.969 N/A ARG 195.A N GLU 191.A O no hydrogen 2.952 N/A ARG 195.A NE GLU 61.A O no hydrogen 2.972 N/A ARG 195.A NH2 GLY 62.A O no hydrogen 2.688 N/A LYS 196.A N GLY 192.A O no hydrogen 2.814 N/A LYS 196.A NZ THR 168.A OG1 no hydrogen 3.326 N/A LYS 196.A NZ GLY 188.A O no hydrogen 3.005 N/A ARG 197.A N LEU 193.A O no hydrogen 2.998 N/A GLN 198.A N ARG 194.A O no hydrogen 2.961 N/A ALA 199.A N ARG 195.A O no hydrogen 2.892 N/A VAL 200.A N LYS 196.A O no hydrogen 2.951 N/A ALA 201.A N ARG 197.A O no hydrogen 2.860 N/A ARG 202.A N GLN 198.A O no hydrogen 2.863 N/A ARG 202.A NE ALA 126.A O no hydrogen 3.116 N/A ARG 202.A NH2 GLN 127.A OE1 no hydrogen 2.618 N/A ALA 203.A N ALA 199.A O no hydrogen 3.101 N/A LEU 204.A N VAL 200.A O no hydrogen 2.990 N/A ALA 205.A N ALA 201.A O no hydrogen 3.048 N/A ARG 206.A N ALA 203.A O no hydrogen 3.071 N/A ARG 206.A NE GLU 219.A OE1 no hydrogen 2.553 N/A ARG 206.A NH1 LEU 125.A O no hydrogen 2.796 N/A ARG 206.A NH2 LEU 125.A O no hydrogen 2.712 N/A ARG 206.A NH2 GLU 219.A O no hydrogen 2.903 N/A LEU 207.A N LEU 204.A O no hydrogen 2.910 N/A HIS 208.A ND1 PRO 209.A O no hydrogen 2.876 N/A GLY 212.A N GLU 215.A OE1 no hydrogen 2.798 N/A VAL 216.A N GLY 212.A O no hydrogen 2.976 N/A ALA 217.A N PRO 213.A O no hydrogen 2.986 N/A ALA 218.A N LEU 214.A O no hydrogen 2.988 N/A GLU 219.A N GLU 215.A O no hydrogen 3.137 N/A VAL 220.A N VAL 216.A O no hydrogen 3.054 N/A GLY 221.A N ALA 217.A O no hydrogen 2.667 N/A GLU 224.A N GLU 224.A OE1 no hydrogen 2.686 N/A LEU 225.A N GLY 222.A O no hydrogen 3.201 N/A VAL 226.A N GLY 222.A O no hydrogen 3.186 N/A ALA 227.A N LEU 223.A O no hydrogen 2.955 N/A ILE 228.A N GLU 224.A O no hydrogen 2.847 N/A ALA 229.A N LEU 225.A O no hydrogen 3.189 N/A GLY 230.A N VAL 226.A O no hydrogen 3.147 N/A ILE 231.A N ALA 227.A O no hydrogen 2.907 N/A TYR 232.A N ILE 228.A O no hydrogen 3.101 N/A TYR 232.A OH VAL 243.A O no hydrogen 2.721 N/A LEU 233.A N ALA 229.A O no hydrogen 2.915 N/A GLU 234.A N GLY 230.A O no hydrogen 3.045 N/A GLY 235.A N ILE 231.A O no hydrogen 3.039 N/A TYR 236.A N TYR 232.A O no hydrogen 2.756 N/A GLU 237.A N LEU 233.A O no hydrogen 3.055 N/A ALA 238.A N GLU 234.A O no hydrogen 3.017 N/A GLY 239.A N TYR 236.A O no hydrogen 2.972 N/A LEU 240.A N GLY 235.A O no hydrogen 3.150 N/A LEU 242.A N HIS 266.A O no hydrogen 2.786 N/A VAL 243.A N LEU 158.A O no hydrogen 2.793 N/A LEU 244.A N PHE 268.A O no hydrogen 2.789 N/A THR 250.A N GLY 246.A O no hydrogen 2.827 N/A THR 250.A OG1 ASP 245.A O no hydrogen 3.459 N/A THR 250.A OG1 GLY 246.A O no hydrogen 2.659 N/A THR 250.A OG1 HIS 278.A NE2 no hydrogen 3.028 N/A ALA 251.A N PHE 247.A O no hydrogen 2.927 N/A GLY 252.A N PRO 248.A O no hydrogen 3.109 N/A ALA 253.A N VAL 249.A O no hydrogen 3.002 N/A LEU 254.A N THR 250.A O no hydrogen 2.945 N/A LEU 255.A N ALA 251.A O no hydrogen 3.211 N/A ALA 256.A N GLY 252.A O no hydrogen 3.103 N/A TRP 257.A N ALA 253.A O no hydrogen 2.821 N/A LYS 258.A N LEU 254.A O no hydrogen 2.920 N/A MET 259.A N LEU 255.A O no hydrogen 3.150 N/A MET 259.A N ALA 256.A O no hydrogen 3.039 N/A ALA 260.A N ALA 256.A O no hydrogen 2.752 N/A LEU 263.A N ALA 260.A O no hydrogen 2.957 N/A ARG 264.A NH1 LEU 285.A O no hydrogen 2.845 N/A ASP 265.A N GLY 262.A O no hydrogen 3.253 N/A HIS 266.A N LEU 263.A O no hydrogen 2.980 N/A HIS 266.A ND1 LEU 240.A O no hydrogen 3.186 N/A LEU 267.A N ARG 264.A O no hydrogen 3.192 N/A PHE 268.A N LEU 242.A O no hydrogen 2.791 N/A GLY 270.A N LEU 244.A O no hydrogen 3.089 N/A LEU 272.A N LEU 291.A O no hydrogen 2.960 N/A SER 273.A N HIS 278.A ND1 no hydrogen 2.781 N/A SER 273.A OG LEU 295.A O no hydrogen 3.525 N/A ARG 274.A N LEU 295.A O no hydrogen 3.020 N/A ARG 274.A NE ASP 294.A OD1 no hydrogen 2.835 N/A ARG 274.A NH2 ASP 294.A O no hydrogen 2.883 N/A GLU 275.A N SER 273.A OG no hydrogen 3.069 N/A HIS 278.A N GLU 275.A O no hydrogen 3.014 N/A HIS 278.A NE2 THR 250.A OG1 no hydrogen 3.028 N/A GLN 281.A N GLY 277.A O no hydrogen 3.191 N/A GLN 281.A NE2 THR 175.A OG1 no hydrogen 2.800 N/A GLN 281.A NE2 PHE 247.A O no hydrogen 3.195 N/A LEU 282.A N HIS 278.A O no hydrogen 3.006 N/A GLU 283.A N ARG 279.A O no hydrogen 2.897 N/A ALA 284.A N HIS 280.A O no hydrogen 2.950 N/A LEU 285.A N GLN 281.A O no hydrogen 2.994 N/A GLY 286.A N GLU 283.A O no hydrogen 2.972 N/A LEU 287.A N LEU 282.A O no hydrogen 2.887 N/A LEU 290.A N ALA 269.A O no hydrogen 2.976 N/A LEU 291.A N GLY 270.A O no hydrogen 3.021 N/A GLU 299.A N ASP 162.A OD1 no hydrogen 3.172 N/A GLY 300.A N ASP 245.A OD2 no hydrogen 2.786 N/A THR 301.A N GLY 298.A O no hydrogen 3.015 N/A THR 301.A OG1 GLY 298.A O no hydrogen 2.735 N/A ALA 303.A N ASP 245.A OD1 no hydrogen 3.181 N/A VAL 304.A N GLY 300.A O no hydrogen 2.995 N/A LEU 305.A N THR 301.A O no hydrogen 3.012 N/A ALA 306.A N GLY 302.A O no hydrogen 3.221 N/A ALA 306.A N ALA 303.A O no hydrogen 3.168 N/A MET 307.A N VAL 304.A O no hydrogen 3.155 N/A LEU 310.A N ALA 306.A O no hydrogen 3.091 N/A ARG 311.A N MET 307.A O no hydrogen 2.986 N/A ARG 311.A NE GLY 45.A O no hydrogen 2.656 N/A ARG 311.A NH1 ALA 92.A O no hydrogen 2.910 N/A ARG 311.A NH2 GLY 45.A O no hydrogen 2.909 N/A ARG 311.A NH2 ALA 92.A O no hydrogen 2.892 N/A ALA 312.A N PRO 308.A O no hydrogen 2.964 N/A ALA 313.A N LEU 309.A O no hydrogen 2.891 N/A ALA 314.A N LEU 310.A O no hydrogen 3.065 N/A ARG 315.A N ARG 311.A O no hydrogen 3.180 N/A ILE 316.A N ALA 313.A O no hydrogen 3.095 N/A HIS 318.A N ARG 315.A O no hydrogen 2.808 N/A HIS 318.A NE2 PRO 42.A O no hydrogen 2.583 N/A MET 319.A N ILE 316.A O no hydrogen 2.989 N/A THR 321.A N GLU 324.A OE2 no hydrogen 3.085 N/A PHE 322.A N GLN 15.A O no hydrogen 2.877 N/A GLU 324.A N THR 321.A OG1 no hydrogen 3.110 N/A ALA 325.A N THR 321.A O no hydrogen 2.841 N/A GLY 326.A N PHE 322.A O no hydrogen 2.796 N/A VAL 327.A N PHE 322.A O no hydrogen 3.069 N/A ARG 329.A NH1 GLN 15.A OE1 no hydrogen 2.577 N/A ARG 329.A NH2 GLN 15.A OE1 no hydrogen 2.938 N/A