Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4qit_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): PHE 5.A N MET 1.A O no hydrogen 3.125 N/A THR 6.A N THR 2.A O no hydrogen 2.895 N/A THR 6.A OG1 ILE 11.A O no hydrogen 1.964 N/A ARG 7.A N ASP 3.A O no hydrogen 3.092 N/A LEU 8.A N ARG 4.A O no hydrogen 2.976 N/A LEU 9.A N PHE 5.A O no hydrogen 2.960 N/A ILE 11.A N THR 6.A O no hydrogen 3.198 N/A GLN 12.A N GLY 36.A O no hydrogen 3.159 N/A GLN 13.A N GLY 36.A O no hydrogen 2.803 N/A ILE 15.A N GLN 13.A O no hydrogen 2.865 N/A ILE 16.A N VAL 236.A O no hydrogen 2.796 N/A GLN 17.A N LEU 38.A O no hydrogen 2.961 N/A GLN 17.A NE2 ALA 18.A O no hydrogen 2.894 N/A GLN 17.A NE2 SER 40.A O no hydrogen 3.029 N/A ALA 18.A N MET 238.A O no hydrogen 2.843 N/A MET 20.A N SER 24.A OG no hydrogen 2.923 N/A VAL 23.A N MET 20.A O no hydrogen 2.783 N/A SER 24.A N MET 20.A O no hydrogen 2.804 N/A SER 24.A OG MET 20.A O no hydrogen 3.064 N/A THR 25.A OG1 GLU 247.A O no hydrogen 2.693 N/A LEU 28.A N THR 25.A OG1 no hydrogen 2.918 N/A ALA 29.A N THR 25.A O no hydrogen 2.996 N/A ALA 30.A N PRO 26.A O no hydrogen 2.880 N/A ALA 31.A N ALA 27.A O no hydrogen 3.053 N/A VAL 32.A N LEU 28.A O no hydrogen 3.124 N/A SER 33.A N ALA 29.A O no hydrogen 2.958 N/A SER 33.A OG ALA 29.A O no hydrogen 3.318 N/A SER 33.A OG PRO 65.A O no hydrogen 2.674 N/A ASN 34.A N ALA 30.A O no hydrogen 2.766 N/A ASN 34.A ND2 LEU 61.A O no hydrogen 3.098 N/A ALA 35.A N ALA 31.A O no hydrogen 2.990 N/A GLY 36.A N VAL 32.A O no hydrogen 3.125 N/A GLY 36.A N SER 33.A O no hydrogen 3.054 N/A GLY 37.A N VAL 32.A O no hydrogen 2.982 N/A LEU 38.A N ILE 15.A O no hydrogen 2.861 N/A GLY 39.A N SER 33.A OG no hydrogen 2.898 N/A SER 40.A N GLN 17.A OE1 no hydrogen 2.913 N/A SER 40.A OG GLN 17.A O no hydrogen 2.742 N/A ILE 41.A N ASN 67.A O no hydrogen 2.887 N/A ILE 43.A N ASN 69.A O no hydrogen 3.054 N/A SER 46.A N ILE 43.A O no hydrogen 3.303 N/A LYS 50.A N ALA 47.A O no hydrogen 2.868 N/A GLY 51.A N ALA 47.A O no hydrogen 2.981 N/A ARG 52.A N ALA 48.A O no hydrogen 2.844 N/A ARG 52.A NE GLU 49.A OE1 no hydrogen 2.781 N/A ARG 52.A NE GLU 49.A OE2 no hydrogen 3.324 N/A ARG 52.A NH1 GLU 124.A OE2 no hydrogen 2.962 N/A ARG 52.A NH1 GLU 125.A OE2 no hydrogen 2.778 N/A ARG 52.A NH2 GLU 49.A OE2 no hydrogen 2.850 N/A ARG 52.A NH2 GLU 124.A OE2 no hydrogen 2.746 N/A ALA 53.A N GLU 49.A O no hydrogen 3.088 N/A LEU 54.A N LYS 50.A O no hydrogen 2.986 N/A ILE 55.A N GLY 51.A O no hydrogen 3.013 N/A ARG 56.A N ARG 52.A O no hydrogen 3.015 N/A ARG 56.A NE GLU 125.A OE1 no hydrogen 3.114 N/A ARG 56.A NE GLU 125.A OE2 no hydrogen 3.410 N/A ARG 56.A NH2 GLU 125.A OE2 no hydrogen 2.857 N/A GLU 57.A N ALA 53.A O no hydrogen 2.855 N/A VAL 58.A N LEU 54.A O no hydrogen 3.139 N/A ARG 59.A N ILE 55.A O no hydrogen 3.128 N/A ARG 59.A NH2 GLU 125.A O no hydrogen 2.818 N/A ARG 59.A NH2 ARG 126.A O no hydrogen 2.621 N/A GLY 60.A N ARG 56.A O no hydrogen 3.027 N/A GLY 60.A N GLU 57.A O no hydrogen 3.141 N/A LEU 61.A N VAL 58.A O no hydrogen 2.859 N/A THR 62.A N VAL 58.A O no hydrogen 2.970 N/A THR 62.A OG1 ASN 34.A OD1 no hydrogen 2.648 N/A LYS 64.A N THR 62.A OG1 no hydrogen 3.044 N/A ASN 67.A N GLY 39.A O no hydrogen 2.833 N/A ASN 67.A ND2 SER 40.A OG no hydrogen 2.920 N/A VAL 68.A N ALA 129.A O no hydrogen 2.887 N/A ASN 69.A N ILE 41.A O no hydrogen 2.827 N/A LEU 70.A N SER 131.A O no hydrogen 2.887 N/A PHE 71.A N THR 44.A OG1 no hydrogen 2.704 N/A CYS 72.A N HIS 133.A O no hydrogen 2.674 N/A HIS 73.A NE2 TYR 109.A O no hydrogen 2.994 N/A ARG 74.A NH1 ASP 298.A OD2 no hydrogen 2.843 N/A ARG 74.A NH2 ASP 298.A OD1 no hydrogen 2.993 N/A ARG 74.A NH2 ASP 298.A OD2 no hydrogen 3.506 N/A GLN 77.A N ASP 298.A OD2 no hydrogen 2.752 N/A ASP 79.A N GLU 83.A OE2 no hydrogen 2.827 N/A ARG 82.A N ASP 79.A OD1 no hydrogen 3.154 N/A ARG 82.A NH1 LEU 296.A O no hydrogen 3.421 N/A GLU 83.A N ASP 79.A O no hydrogen 2.830 N/A ARG 84.A N PRO 80.A O no hydrogen 2.773 N/A ALA 85.A N ALA 81.A O no hydrogen 3.046 N/A TRP 86.A N ARG 82.A O no hydrogen 3.042 N/A LEU 87.A N GLU 83.A O no hydrogen 2.934 N/A ASP 88.A N ARG 84.A O no hydrogen 2.935 N/A TYR 89.A N ALA 85.A O no hydrogen 3.047 N/A LEU 90.A N TRP 86.A O no hydrogen 3.032 N/A LYS 91.A N ASP 88.A O no hydrogen 3.231 N/A LEU 93.A N LEU 90.A O no hydrogen 2.932 N/A PHE 94.A N LEU 90.A O no hydrogen 3.291 N/A ALA 95.A N LYS 91.A O no hydrogen 2.968 N/A GLU 96.A N PRO 92.A O no hydrogen 3.117 N/A PHE 97.A N PHE 94.A O no hydrogen 2.980 N/A GLY 98.A N ALA 95.A O no hydrogen 3.019 N/A ALA 99.A N PHE 94.A O no hydrogen 2.989 N/A LYS 106.A N ASP 304.A OD2 no hydrogen 2.716 N/A ASN 107.A ND2 GLU 114.A OE1 no hydrogen 3.492 N/A ASN 107.A ND2 GLU 114.A OE2 no hydrogen 3.088 N/A SER 111.A N GLU 114.A OE1 no hydrogen 2.802 N/A SER 111.A OG HIS 73.A O no hydrogen 2.600 N/A PHE 112.A N PHE 71.A O no hydrogen 3.002 N/A LEU 113.A N SER 111.A OG no hydrogen 3.069 N/A GLU 114.A N SER 111.A O no hydrogen 2.939 N/A ASP 115.A N SER 111.A O no hydrogen 3.102 N/A THR 117.A N ASP 115.A OD1 no hydrogen 3.040 N/A THR 117.A OG1 ASP 115.A OD1 no hydrogen 2.672 N/A LEU 118.A N ASP 115.A O no hydrogen 3.346 N/A LEU 122.A N LEU 118.A O no hydrogen 3.030 N/A LEU 123.A N LEU 119.A O no hydrogen 2.961 N/A GLU 124.A N PRO 120.A O no hydrogen 3.101 N/A GLU 124.A N MET 121.A O no hydrogen 3.206 N/A GLU 125.A N MET 121.A O no hydrogen 2.991 N/A ARG 126.A N LEU 122.A O no hydrogen 2.836 N/A ARG 126.A NE LEU 123.A O no hydrogen 3.223 N/A ALA 129.A N PHE 66.A O no hydrogen 3.134 N/A VAL 130.A N ARG 151.A O no hydrogen 2.886 N/A SER 131.A N VAL 68.A O no hydrogen 2.888 N/A SER 131.A OG ASN 67.A OD1 no hydrogen 2.916 N/A PHE 132.A N LEU 153.A O no hydrogen 2.949 N/A HIS 133.A N LEU 70.A O no hydrogen 3.164 N/A HIS 133.A NE2 SER 183.A O no hydrogen 3.029 N/A ARG 139.A NH1 ALA 167.A O no hydrogen 3.313 N/A GLN 141.A N PRO 138.A O no hydrogen 3.033 N/A VAL 142.A N PRO 138.A O no hydrogen 3.203 N/A ARG 143.A N ARG 139.A O no hydrogen 2.900 N/A ALA 144.A N ASP 140.A O no hydrogen 3.074 N/A LEU 145.A N GLN 141.A O no hydrogen 3.172 N/A GLN 146.A N VAL 142.A O no hydrogen 3.068 N/A GLN 146.A NE2 GLY 169.A O no hydrogen 2.873 N/A GLN 146.A NE2 ASP 171.A OD2 no hydrogen 2.964 N/A ALA 147.A N ARG 143.A O no hydrogen 2.826 N/A VAL 148.A N LEU 145.A O no hydrogen 3.251 N/A GLY 149.A N GLN 146.A O no hydrogen 2.912 N/A ILE 150.A N LEU 145.A O no hydrogen 3.186 N/A ARG 151.A N ALA 128.A O no hydrogen 2.907 N/A ARG 151.A NE LEU 8.A O no hydrogen 2.845 N/A ARG 151.A NH2 LEU 8.A O no hydrogen 3.522 N/A VAL 152.A N ASP 171.A OD2 no hydrogen 2.764 N/A LEU 153.A N VAL 130.A O no hydrogen 2.955 N/A VAL 154.A N ALA 172.A O no hydrogen 3.253 N/A CYS 155.A N PHE 132.A O no hydrogen 3.071 N/A CYS 155.A SG VAL 174.A O no hydrogen 3.639 N/A ALA 156.A N VAL 174.A O no hydrogen 2.852 N/A THR 157.A N GLU 161.A OE1 no hydrogen 2.756 N/A THR 157.A OG1 GLU 161.A OE1 no hydrogen 2.696 N/A THR 158.A OG1 GLU 160.A OE1 no hydrogen 3.485 N/A GLU 161.A N THR 158.A OG1 no hydrogen 2.941 N/A ALA 162.A N THR 158.A O no hydrogen 2.884 N/A ALA 163.A N PRO 159.A O no hydrogen 2.936 N/A LEU 164.A N GLU 160.A O no hydrogen 3.342 N/A VAL 165.A N GLU 161.A O no hydrogen 3.020 N/A GLU 166.A N ALA 162.A O no hydrogen 2.954 N/A ALA 167.A N ALA 163.A O no hydrogen 2.960 N/A ALA 168.A N LEU 164.A O no hydrogen 2.982 N/A ALA 168.A N VAL 165.A O no hydrogen 3.235 N/A GLY 169.A N GLU 166.A O no hydrogen 3.005 N/A ALA 170.A N VAL 165.A O no hydrogen 3.413 N/A ASP 171.A N VAL 152.A O no hydrogen 2.826 N/A ALA 172.A N VAL 152.A O no hydrogen 3.364 N/A VAL 173.A N PRO 212.A O no hydrogen 3.082 N/A VAL 174.A N VAL 154.A O no hydrogen 2.890 N/A ALA 175.A N VAL 214.A O no hydrogen 2.759 N/A GLN 176.A N ALA 156.A O no hydrogen 2.968 N/A GLN 176.A NE2 SER 183.A O no hydrogen 3.078 N/A GLY 177.A N ALA 216.A O no hydrogen 2.851 N/A ILE 178.A N ILE 196.A O no hydrogen 2.907 N/A GLU 179.A N GLU 179.A OE1 no hydrogen 2.840 N/A ALA 180.A N GLY 177.A O no hydrogen 3.001 N/A GLY 182.A N ARG 278.A O no hydrogen 2.972 N/A ARG 184.A N SER 276.A O no hydrogen 2.808 N/A ARG 184.A NE ASP 193.A OD1 no hydrogen 3.466 N/A ARG 184.A NE ASP 193.A OD2 no hydrogen 2.572 N/A ARG 184.A NH2 ASP 193.A OD1 no hydrogen 2.934 N/A GLY 185.A N GLN 176.A OE1 no hydrogen 2.762 N/A PHE 187.A N GLU 161.A OE2 no hydrogen 2.787 N/A GLU 190.A N GLU 190.A OE1 no hydrogen 2.711 N/A ARG 191.A N GLU 188.A O no hydrogen 2.966 N/A GLY 192.A N PRO 189.A O no hydrogen 2.916 N/A ALA 195.A N ASP 193.A OD1 no hydrogen 2.918 N/A THR 198.A N GLU 179.A OE1 no hydrogen 2.882 N/A THR 198.A OG1 GLU 179.A OE1 no hydrogen 3.129 N/A THR 198.A OG1 GLY 217.A O no hydrogen 2.881 N/A LEU 201.A N GLY 197.A O no hydrogen 2.831 N/A VAL 202.A N THR 198.A O no hydrogen 2.885 N/A ARG 203.A NH2 LEU 231.A O no hydrogen 2.985 N/A LEU 204.A N ALA 200.A O no hydrogen 2.916 N/A LEU 205.A N LEU 201.A O no hydrogen 2.981 N/A ALA 206.A N VAL 202.A O no hydrogen 2.876 N/A ALA 207.A N ARG 203.A O no hydrogen 2.871 N/A ARG 208.A N LEU 205.A O no hydrogen 3.158 N/A ARG 208.A NH1 GLU 166.A OE1 no hydrogen 3.182 N/A GLY 209.A N ALA 206.A O no hydrogen 2.943 N/A SER 210.A OG GLU 166.A OE1 no hydrogen 2.565 N/A VAL 214.A N VAL 173.A O no hydrogen 2.812 N/A ALA 215.A N ALA 235.A O no hydrogen 2.911 N/A ALA 216.A N ALA 175.A O no hydrogen 2.910 N/A GLY 222.A N GLU 348.A OE1 no hydrogen 2.944 N/A GLY 224.A N ASP 221.A OD1 no hydrogen 2.983 N/A ILE 225.A N ASP 221.A O no hydrogen 3.104 N/A ARG 226.A N GLY 222.A O no hydrogen 2.827 N/A ARG 226.A NH1 LEU 349.A O no hydrogen 2.836 N/A ALA 227.A N ARG 223.A O no hydrogen 2.912 N/A ALA 228.A N GLY 224.A O no hydrogen 2.988 N/A LEU 229.A N ILE 225.A O no hydrogen 2.952 N/A GLU 230.A N ARG 226.A O no hydrogen 2.912 N/A LEU 231.A N ALA 227.A O no hydrogen 3.055 N/A LEU 231.A N ALA 228.A O no hydrogen 3.119 N/A GLY 232.A N LEU 229.A O no hydrogen 3.029 N/A ALA 233.A N ALA 228.A O no hydrogen 3.063 N/A SER 234.A N VAL 213.A O no hydrogen 2.756 N/A VAL 236.A N PRO 14.A O no hydrogen 3.032 N/A GLN 237.A N ALA 215.A O no hydrogen 2.801 N/A MET 238.A N ILE 16.A O no hydrogen 2.884 N/A PHE 242.A N GLY 239.A O no hydrogen 2.845 N/A VAL 243.A N THR 240.A O no hydrogen 3.145 N/A CYS 245.A N PHE 242.A O no hydrogen 3.157 N/A CYS 245.A SG PHE 242.A O no hydrogen 3.397 N/A CYS 245.A SG LEU 336.A O no hydrogen 3.377 N/A GLU 247.A N GLU 247.A OE1 no hydrogen 2.810 N/A SER 248.A N CYS 245.A O no hydrogen 3.077 N/A SER 248.A OG VAL 243.A O no hydrogen 2.684 N/A SER 248.A OG CYS 245.A O no hydrogen 3.301 N/A SER 249.A N VAL 23.A O no hydrogen 2.809 N/A SER 249.A OG GLY 22.A O no hydrogen 2.770 N/A SER 249.A OG VAL 23.A O no hydrogen 3.252 N/A ALA 250.A N SER 248.A OG no hydrogen 3.231 N/A TYR 254.A N ASN 251.A OD1 no hydrogen 2.976 N/A TYR 254.A OH TRP 325.A O no hydrogen 2.556 N/A ARG 255.A N ASN 251.A O no hydrogen 3.039 N/A ARG 255.A NE ALA 250.A O no hydrogen 2.887 N/A ARG 255.A NH1 CYS 245.A O no hydrogen 3.027 N/A ARG 255.A NH2 CYS 245.A O no hydrogen 3.565 N/A ARG 255.A NH2 ALA 250.A O no hydrogen 3.073 N/A GLU 256.A N ALA 252.A O no hydrogen 2.897 N/A ALA 257.A N ALA 253.A O no hydrogen 2.850 N/A LEU 258.A N TYR 254.A O no hydrogen 2.931 N/A LYS 259.A N ARG 255.A O no hydrogen 2.916 N/A LYS 259.A NZ GLU 335.A OE1 no hydrogen 3.001 N/A LYS 259.A NZ GLU 335.A OE2 no hydrogen 3.359 N/A GLY 260.A N GLU 256.A O no hydrogen 3.093 N/A ARG 262.A NH1 GLN 324.A OE1 no hydrogen 2.966 N/A ARG 262.A NH2 LEU 280.A O no hydrogen 3.307 N/A ARG 262.A NH2 PRO 281.A O no hydrogen 3.505 N/A ARG 262.A NH2 GLN 324.A OE1 no hydrogen 2.965 N/A ALA 263.A N GLY 260.A O no hydrogen 3.172 N/A ALA 264.A N PRO 261.A O no hydrogen 3.104 N/A ARG 265.A N ARG 262.A O no hydrogen 3.161 N/A ALA 267.A N GLY 279.A O no hydrogen 2.963 N/A THR 269.A N ALA 277.A O no hydrogen 2.894 N/A THR 271.A N THR 269.A OG1 no hydrogen 3.081 N/A THR 271.A OG1 THR 269.A OG1 no hydrogen 2.902 N/A THR 271.A OG1 MET 284.A O no hydrogen 2.686 N/A GLY 274.A N VAL 270.A O no hydrogen 2.900 N/A ARG 275.A N SER 273.A OG no hydrogen 3.141 N/A ARG 275.A NH1 VAL 186.A O no hydrogen 2.798 N/A ARG 275.A NH2 VAL 186.A O no hydrogen 2.913 N/A ARG 275.A NH2 PHE 187.A O no hydrogen 3.245 N/A ALA 277.A N THR 269.A O no hydrogen 2.998 N/A ARG 278.A N GLY 182.A O no hydrogen 2.825 N/A ARG 278.A NE ILE 178.A O no hydrogen 3.028 N/A ARG 278.A NE ALA 180.A O no hydrogen 3.339 N/A ARG 278.A NH1 THR 266.A OG1 no hydrogen 3.087 N/A ARG 278.A NH2 ILE 178.A O no hydrogen 2.820 N/A GLY 279.A N ALA 267.A O no hydrogen 3.020 N/A LEU 280.A N GLN 324.A O no hydrogen 2.956 N/A ASN 282.A ND2 ALA 322.A O no hydrogen 2.777 N/A ARG 283.A N ASP 320.A O no hydrogen 2.965 N/A ARG 283.A NH1 GLU 96.A OE2 no hydrogen 3.024 N/A ARG 283.A NH2 GLU 96.A OE1 no hydrogen 2.545 N/A ARG 283.A NH2 GLU 96.A OE2 no hydrogen 3.455 N/A MET 284.A N ASN 282.A OD1 no hydrogen 2.978 N/A PHE 285.A N ASN 282.A O no hydrogen 3.005 N/A PHE 286.A N THR 271.A OG1 no hydrogen 3.399 N/A ALA 289.A N ASP 287.A OD1 no hydrogen 2.869 N/A ALA 290.A N ASP 287.A O no hydrogen 3.240 N/A VAL 293.A N ALA 290.A O no hydrogen 3.191 N/A VAL 302.A N ASP 298.A O no hydrogen 3.333 N/A ASP 304.A N PRO 300.A O no hydrogen 3.233 N/A ALA 305.A N PHE 301.A O no hydrogen 3.238 N/A THR 306.A N VAL 302.A O no hydrogen 2.989 N/A THR 306.A OG1 MET 272.A O no hydrogen 2.644 N/A THR 306.A OG1 VAL 302.A O no hydrogen 3.333 N/A LYS 307.A N TYR 303.A O no hydrogen 2.775 N/A ALA 308.A N ASP 304.A O no hydrogen 3.186 N/A LEU 309.A N ALA 305.A O no hydrogen 3.110 N/A GLN 310.A N THR 306.A O no hydrogen 2.780 N/A GLN 310.A NE2 PHE 321.A O no hydrogen 2.977 N/A THR 311.A N LYS 307.A O no hydrogen 2.906 N/A THR 311.A OG1 LYS 307.A O no hydrogen 2.925 N/A ALA 312.A N ALA 308.A O no hydrogen 3.080 N/A ALA 313.A N LEU 309.A O no hydrogen 2.869 N/A LEU 314.A N GLN 310.A O no hydrogen 2.831 N/A ALA 315.A N THR 311.A O no hydrogen 3.053 N/A ARG 316.A N ALA 313.A O no hydrogen 2.959 N/A ARG 316.A NH1 ALA 315.A O no hydrogen 3.352 N/A GLY 317.A N LEU 314.A O no hydrogen 2.989 N/A ASN 318.A N ALA 313.A O no hydrogen 2.882 N/A ASP 320.A N ASN 318.A OD1 no hydrogen 2.814 N/A ALA 322.A N HIS 319.A O no hydrogen 3.311 N/A ALA 326.A N ARG 278.A O no hydrogen 3.291 N/A GLY 327.A N THR 240.A OG1 no hydrogen 2.769 N/A GLN 328.A N GLU 179.A O no hydrogen 2.782 N/A ALA 330.A N GLY 327.A O no hydrogen 3.009 N/A LEU 332.A N GLY 329.A O no hydrogen 2.862 N/A ALA 333.A N ALA 330.A O no hydrogen 2.965 N/A ARG 334.A NH1 GLU 348.A OE2 no hydrogen 2.661 N/A ARG 334.A NH2 MET 220.A O no hydrogen 3.157 N/A ARG 334.A NH2 GLU 348.A OE1 no hydrogen 3.003 N/A ARG 334.A NH2 GLU 348.A OE2 no hydrogen 3.486 N/A ALA 338.A N GLU 247.A OE1 no hydrogen 3.030 N/A LEU 341.A N PRO 337.A O no hydrogen 2.865 N/A LEU 342.A N ALA 338.A O no hydrogen 2.853 N/A ARG 343.A N ALA 339.A O no hydrogen 2.940 N/A THR 344.A N GLU 340.A O no hydrogen 2.838 N/A THR 344.A OG1 GLU 340.A O no hydrogen 2.804 N/A LEU 345.A N LEU 341.A O no hydrogen 2.877 N/A VAL 346.A N LEU 342.A O no hydrogen 2.995 N/A GLU 347.A N ARG 343.A O no hydrogen 3.000 N/A GLU 348.A N THR 344.A O no hydrogen 2.927 N/A LEU 349.A N LEU 345.A O no hydrogen 2.831 N/A ARG 350.A N VAL 346.A O no hydrogen 3.012 N/A